<?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="-3.52636983" y3="-1.75906261" z3="10.71984007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.15222625" y3="-0.84303341" z3="10.22551692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24045692" y3="-1.71894487" z3="11.78727768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63235366" y3="-1.75147181" z3="10.66693019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95724646" y3="-3.00598529" z3="10.04939681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.3158431" y3="-3.92334081" z3="10.55890173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85628433" y3="-3.01016603" z3="10.12380117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3215421" y3="-3.12252354" z3="8.56989461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41909042" y3="-3.20854709" z3="8.46183065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84907561" y3="-4.02591554" z3="8.14521626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63757474" y3="-1.88746641" z3="7.4398356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06063028" y3="-0.49569033" z3="6.07264751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.67226616" y3="-1.21322136" z3="6.48605007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.3764843" y3="0.51777288" z3="6.20945518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.17928266" y3="-0.74845859" z3="4.55727612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.81196851" y3="-0.60272731" z3="4.07597007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.85074985" y3="0.01615161" z3="4.11973034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.69953844" y3="-2.14565282" z3="4.21732026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.7349588" y3="-2.23765699" z3="4.59304376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.11534984" y3="-2.88983902" z3="4.78773481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.66317064" y3="-2.50319058" z3="2.72861709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.99135332" y3="-3.55284381" z3="2.60551067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.3828462" y3="-2.46565017" z3="2.36506216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.53251647" y3="-1.60724111" z3="1.84626283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.57841399" y3="-1.60282061" z3="2.20393721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17742983" y3="-0.56211848" z3="1.85576734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.53391125" y3="-1.95101436" z3="0.79570608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86274424" y3="-2.81403274" z3="7.68209165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3372877" y3="-0.6242071" z3="6.86118645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20527587" y3="-0.0549517" z3="6.5084201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.96276865" y3="-1.99168679" z3="7.81892364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.52688439" y3="0.74651037" z3="11.79634997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.11258693" y3="1.31842115" z3="12.64853685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79983581" y3="-0.26106327" z3="12.15984653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45519812" y3="1.22799838" z3="11.449916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47409191" y3="0.64677957" z3="10.64582988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.7869748" y3="1.66546377" z3="10.34003466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.39377869" y3="0.14134732" z3="11.00197549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.06492508" y3="-0.1067144" z3="9.41805759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47905251" y3="-1.07992422" z3="9.7358377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.76381763" y3="-0.32431456" z3="8.72375334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13977463" y3="0.68435155" z3="8.67671983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23719646" y3="0.92442539" z3="9.19613937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.70169081" y3="1.43164305" z3="7.96022058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5264,-1.7591,10.7198;-3.1522,-.843,10.2255;-3.2405,-1.7189,11.7873;-4.6324,-1.7515,10.6669;-2.9572,-3.006,10.0494;-3.3158,-3.9233,10.5589;-1.8563,-3.0102,10.1238;-3.3215,-3.1225,8.5699;-4.4191,-3.2085,8.4618;-2.8491,-4.0259,8.1452;-1.6376,-1.8875,7.4398;-.0606,-.4957,6.0726;.6723,-1.2132,6.4861;.3765,.5178,6.2095;-.1793,-.7485,4.5573;.812,-.6027,4.076;-.8507,.0162,4.1197;-.6995,-2.1457,4.2173;-1.735,-2.2377,4.593;-.1153,-2.8898,4.7877;-.6632,-2.5032,2.7286;-.9914,-3.5528,2.6055;.3828,-2.4657,2.3651;-1.5325,-1.6072,1.8463;-2.5784,-1.6028,2.2039;-1.1774,-.5621,1.8558;-1.5339,-1.951,.7957;-.8627,-2.814,7.6821;-1.3373,-.6242,6.8612;-2.2053,-.055,6.5084;-2.9628,-1.9917,7.8189;-.5269,.7465,11.7963;-.1126,1.3184,12.6485;-.7998,-.2611,12.1598;-1.4552,1.228,11.4499;.4741,.6468,10.6458;.787,1.6655,10.34;1.3938,.1413,11.002;-.0649,-.1067,9.4181;-.4791,-1.0799,9.7358;.7638,-.3243,8.7238;-1.1398,.6844,8.6767;-2.2372,.9244,9.1961;-.7017,1.4316,7.9602;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.606674834353</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">0.008381495317 0.000881018522 0.028149793797 0.008703945895</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="126">-0.006805932 0.000100663 0.000139381 0.000196925 0.000259085 0.000385831 0.000418748 0.001145742 0.001173360 0.001610390 0.001951649 0.002624735 0.003206128 0.003395894 0.004155873 0.004789630 0.005306891 0.006419834 0.007046881 0.008024939 0.010007888 0.011375632 0.012388983 0.017122199 0.019504766 0.020605131 0.024173103 0.026854170 0.028746356 0.031996718 0.033041541 0.033528441 0.034178595 0.036309262 0.040381363 0.043765449 0.046198031 0.046665595 0.047311909 0.050919824 0.052052758 0.052174356 0.054287526 0.057432458 0.059181265 0.059558798 0.067209513 0.067626303 0.070809750 0.072005305 0.074099445 0.075472448 0.077423937 0.079393466 0.081659881 0.082696107 0.087617627 0.097038327 0.098556468 0.100036046 0.106150698 0.109076061 0.113132233 0.113291068 0.115354115 0.129610889 0.134363527 0.136038756 0.137758139 0.138716254 0.146313844 0.154016756 0.162229930 0.168794788 0.171750833 0.174100104 0.178399198 0.187858239 0.194084265 0.202072733 0.208498140 0.213517306 0.228574430 0.248082698 0.251874887 0.291049908 0.309238220 0.341414875 0.376911891 0.414932524 0.430260503 0.474562271 0.498478337 0.543502348 0.586840706 0.611692583 0.619114028 0.660915610 0.729913844 0.737033059 0.750297152 0.754992209 0.770408096 0.777656152 0.779756969 0.782710708 0.784816253 0.797430219 0.805387063 0.814204555 0.821117959 0.823818949 0.845651392 0.847309031 0.849266217 0.864084592 0.891940158 0.899151768 0.900500144 0.903955598 0.914441549 0.918229088 0.933518810 0.970678216 1.419912241 1.544348809</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="-3.52717255" y3="-1.76116193" z3="10.72356343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.15506489" y3="-0.84387296" z3="10.23100363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24171654" y3="-1.72139357" z3="11.79115534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63312511" y3="-1.75454485" z3="10.67039075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95658046" y3="-3.00685768" z3="10.05207616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.31408955" y3="-3.92429551" z3="10.56223247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85559558" y3="-3.00984862" z3="10.12546586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32110696" y3="-3.12368428" z3="8.57243834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41872762" y3="-3.21353164" z3="8.4655673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8465701" y3="-4.0266628" z3="8.14890084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.63910341" y3="-1.88714874" z3="7.43783441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06486424" y3="-0.49966884" z3="6.06359277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6669447" y3="-1.21630695" z3="6.48067389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37148735" y3="0.51447949" z3="6.20166878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.17260956" y3="-0.75301688" z3="4.54658931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.82246549" y3="-0.60949071" z3="4.07236329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.83938199" y3="0.012344" z3="4.10299113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.69333085" y3="-2.1496245" z3="4.20528605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.72808248" y3="-2.24036359" z3="4.58286089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.10907526" y3="-2.89433761" z3="4.77508895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.66046707" y3="-2.50717983" z3="2.71634874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.99028563" y3="-3.55650525" z3="2.59419698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.38436609" y3="-2.47104195" z3="2.34911548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.53205226" y3="-1.61038401" z3="1.83697552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.57660948" y3="-1.60541772" z3="2.19855943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17621113" y3="-0.56553494" z3="1.84606896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.53756008" y3="-1.95331685" z3="0.78611879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86237368" y3="-2.8114294" z3="7.68959417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.34514877" y3="-0.63427047" z3="6.84332811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.2126972" y3="-0.05960534" z3="6.49943592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.96622102" y3="-1.99299506" z3="7.82100521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.51961012" y3="0.74590912" z3="11.81326829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09773596" y3="1.31058672" z3="12.66660137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79701199" y3="-0.26179727" z3="12.17282294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44693839" y3="1.23599243" z3="11.47606036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47546757" y3="0.64635226" z3="10.65754745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.7987204" y3="1.66442626" z3="10.36049283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.39078265" y3="0.12769639" z3="11.00564546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.07484084" y3="-0.09268487" z3="9.42501799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49553288" y3="-1.0651215" z3="9.73590777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.74843542" y3="-0.3111926" z3="8.72489414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14455609" y3="0.71250134" z3="8.69571256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24039771" y3="0.9524106" z3="9.20911225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.714584" y3="1.44097741" z3="7.95679854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5272,-1.7612,10.7236;-3.1551,-.8439,10.231;-3.2417,-1.7214,11.7912;-4.6331,-1.7545,10.6704;-2.9566,-3.0069,10.0521;-3.3141,-3.9243,10.5622;-1.8556,-3.0098,10.1255;-3.3211,-3.1237,8.5724;-4.4187,-3.2135,8.4656;-2.8466,-4.0267,8.1489;-1.6391,-1.8871,7.4378;-.0649,-.4997,6.0636;.6669,-1.2163,6.4807;.3715,.5145,6.2017;-.1726,-.753,4.5466;.8225,-.6095,4.0724;-.8394,.0123,4.103;-.6933,-2.1496,4.2053;-1.7281,-2.2404,4.5829;-.1091,-2.8943,4.7751;-.6605,-2.5072,2.7163;-.9903,-3.5565,2.5942;.3844,-2.471,2.3491;-1.5321,-1.6104,1.837;-2.5766,-1.6054,2.1986;-1.1762,-.5655,1.8461;-1.5376,-1.9533,.7861;-.8624,-2.8114,7.6896;-1.3451,-.6343,6.8433;-2.2127,-.0596,6.4994;-2.9662,-1.993,7.821;-.5196,.7459,11.8133;-.0977,1.3106,12.6666;-.797,-.2618,12.1728;-1.4469,1.236,11.4761;.4755,.6464,10.6575;.7987,1.6644,10.3605;1.3908,.1277,11.0056;-.0748,-.0927,9.425;-.4955,-1.0651,9.7359;.7484,-.3112,8.7249;-1.1446,.7125,8.6957;-2.2404,.9524,9.2091;-.7146,1.441,7.9568;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.606171380373</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">0.006498629955 0.000680876649 0.028359010718 0.008704007101</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="126">-0.005201039 0.000099723 0.000138423 0.000196135 0.000257709 0.000384865 0.000408562 0.001143418 0.001173660 0.001610605 0.001952653 0.002624606 0.003201648 0.003348928 0.004156607 0.004789187 0.005283110 0.006363204 0.007029790 0.007908843 0.009849703 0.011373700 0.012388555 0.016987190 0.019499629 0.020596408 0.024164607 0.026851685 0.028732860 0.031994014 0.033038242 0.033514149 0.034179010 0.036306005 0.040376317 0.043706080 0.046186922 0.046664763 0.047290609 0.050908785 0.052052971 0.052174874 0.054271530 0.057421400 0.059181166 0.059558711 0.067203043 0.067610755 0.070809581 0.071999929 0.074095993 0.075458113 0.077423885 0.079392825 0.081658462 0.082694594 0.087595818 0.097039412 0.098554766 0.100034652 0.106150344 0.109076143 0.113132230 0.113291134 0.115354202 0.129611096 0.134362065 0.136039688 0.137758499 0.138716986 0.146313403 0.154018001 0.162229676 0.168795334 0.171751853 0.174105134 0.178399132 0.187858224 0.194085103 0.202072861 0.208497673 0.213524558 0.228589317 0.248094143 0.251875724 0.291049939 0.309239712 0.341415391 0.376916262 0.414933257 0.430260632 0.474564707 0.498478989 0.543504015 0.586841616 0.611693657 0.619140309 0.660920136 0.729975007 0.737033316 0.750297252 0.754992392 0.770408378 0.777658598 0.779771049 0.782711002 0.784816368 0.797430707 0.805387066 0.814204642 0.821118298 0.823824791 0.845653730 0.847309235 0.849266258 0.864084694 0.891942363 0.899153942 0.900500011 0.903955538 0.914443891 0.918229568 0.933518806 0.970678327 1.420268519 1.544350814</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="-3.52705756" y3="-1.76234359" z3="10.72700582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.15614448" y3="-0.84410835" z3="10.23593989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2424953" y3="-1.72294738" z3="11.79487494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63296621" y3="-1.75623425" z3="10.67313013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95531268" y3="-3.00719629" z3="10.05493216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.3119771" y3="-3.92459811" z3="10.56578763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85431386" y3="-3.0091571" z3="10.12748642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32006303" y3="-3.12436428" z3="8.57516609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41770078" y3="-3.21815494" z3="8.46946657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84320797" y3="-4.0266647" z3="8.15252637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64063949" y3="-1.88651383" z3="7.43546493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06915103" y3="-0.50376305" z3="6.05452533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.66142046" y3="-1.21893362" z3="6.47647835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36597636" y3="0.51129116" z3="6.19374782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.1664963" y3="-0.75817076" z3="4.53651884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.83207172" y3="-0.616459" z3="4.06927152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.82923487" y3="0.00777476" z3="4.0878153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.68744081" y3="-2.15421435" z3="4.19358181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.72141576" y3="-2.24484984" z3="4.57317264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.10250687" y3="-2.89963915" z3="4.76187886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.65765193" y3="-2.51069846" z3="2.70419516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.98828434" y3="-3.55983708" z3="2.58235382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.38613817" y3="-2.47498677" z3="2.33390501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.53147705" y3="-1.61355031" z3="1.82726619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.57483633" y3="-1.60796226" z3="2.19226274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17510931" y3="-0.56887389" z3="1.83499328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54066643" y3="-1.95660982" z3="0.77643886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86152233" y3="-2.80783088" z3="7.6971813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.35339593" y3="-0.64460562" z3="6.82419764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.2201113" y3="-0.06329172" z3="6.49001646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.96935091" y3="-1.99367135" z3="7.82343692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.51271266" y3="0.74452523" z3="11.82993612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08188149" y3="1.30069529" z3="12.6843447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79541665" y3="-0.26328803" z3="12.18482543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43864506" y3="1.24423764" z3="11.50286442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47598425" y3="0.6452429" z3="10.66875627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.80870599" y3="1.66244285" z3="10.37952518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.38701408" y3="0.11411229" z3="11.00830268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.08536767" y3="-0.07931588" z3="9.43220567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51313221" y3="-1.05077461" z3="9.7358248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.7325039" y3="-0.29902363" z3="8.72648653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14925878" y3="0.74086036" z3="8.71541628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24408419" y3="0.98052495" z3="9.22313989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72714804" y3="1.45031279" z3="7.95572606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5271,-1.7623,10.727;-3.1561,-.8441,10.2359;-3.2425,-1.7229,11.7949;-4.633,-1.7562,10.6731;-2.9553,-3.0072,10.0549;-3.312,-3.9246,10.5658;-1.8543,-3.0092,10.1275;-3.3201,-3.1244,8.5752;-4.4177,-3.2182,8.4695;-2.8432,-4.0267,8.1525;-1.6406,-1.8865,7.4355;-.0692,-.5038,6.0545;.6614,-1.2189,6.4765;.366,.5113,6.1937;-.1665,-.7582,4.5365;.8321,-.6165,4.0693;-.8292,.0078,4.0878;-.6874,-2.1542,4.1936;-1.7214,-2.2448,4.5732;-.1025,-2.8996,4.7619;-.6577,-2.5107,2.7042;-.9883,-3.5598,2.5824;.3861,-2.475,2.3339;-1.5315,-1.6136,1.8273;-2.5748,-1.608,2.1923;-1.1751,-.5689,1.835;-1.5407,-1.9566,.7764;-.8615,-2.8078,7.6972;-1.3534,-.6446,6.8242;-2.2201,-.0633,6.49;-2.9694,-1.9937,7.8234;-.5127,.7445,11.8299;-.0819,1.3007,12.6843;-.7954,-.2633,12.1848;-1.4386,1.2442,11.5029;.476,.6452,10.6688;.8087,1.6624,10.3795;1.387,.1141,11.0083;-.0854,-.0793,9.4322;-.5131,-1.0508,9.7358;.7325,-.299,8.7265;-1.1493,.7409,8.7154;-2.2441,.9805,9.2231;-.7271,1.4503,7.9557;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605762970412</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">0.004950246161 0.000513780464 0.028459021506 0.008703715841</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="126">-0.004539239 0.000099865 0.000140161 0.000195827 0.000255612 0.000386043 0.000397111 0.001139244 0.001173639 0.001612744 0.001953096 0.002624238 0.003202576 0.003343368 0.004155980 0.004788870 0.005266586 0.006332630 0.007018282 0.007828382 0.009818382 0.011379198 0.012388142 0.016950544 0.019499865 0.020596261 0.024161170 0.026849137 0.028725202 0.031992162 0.033036876 0.033509054 0.034178876 0.036304258 0.040374907 0.043689953 0.046182559 0.046664486 0.047284546 0.050905444 0.052053561 0.052174940 0.054272501 0.057418504 0.059181292 0.059558149 0.067200960 0.067605493 0.070809326 0.071997989 0.074095676 0.075451877 0.077423971 0.079392479 0.081657723 0.082694063 0.087589511 0.097039525 0.098554441 0.100034550 0.106150224 0.109075894 0.113132132 0.113291255 0.115354188 0.129611078 0.134361495 0.136039903 0.137758404 0.138716678 0.146312842 0.154017397 0.162229342 0.168795217 0.171751958 0.174105685 0.178398921 0.187858177 0.194085203 0.202072809 0.208497489 0.213527170 0.228597913 0.248094431 0.251874709 0.291049968 0.309239620 0.341414960 0.376919995 0.414933240 0.430260812 0.474564518 0.498478942 0.543505444 0.586841654 0.611694157 0.619146757 0.660921903 0.730002540 0.737033357 0.750297254 0.754992774 0.770408439 0.777659016 0.779776613 0.782711012 0.784816585 0.797430960 0.805387121 0.814204659 0.821119379 0.823824869 0.845656013 0.847309310 0.849266271 0.864084676 0.891942305 0.899155221 0.900500510 0.903955392 0.914443976 0.918229602 0.933519172 0.970677236 1.420445069 1.544351031</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="-3.52647416" y3="-1.76290066" z3="10.73103824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.15667193" y3="-0.84402111" z3="10.24103281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24272803" y3="-1.72345754" z3="11.79913963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63232874" y3="-1.75710441" z3="10.67637928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95369179" y3="-3.00702432" z3="10.05856085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.30955265" y3="-3.92439606" z3="10.57005741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85266676" y3="-3.0079555" z3="10.13019026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31880108" y3="-3.12420953" z3="8.57869042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41642316" y3="-3.22205878" z3="8.47418339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83933864" y3="-4.02544201" z3="8.15649936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64245898" y3="-1.88566758" z3="7.43317962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07363488" y3="-0.50820489" z3="6.04516578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65567575" y3="-1.22142991" z3="6.47278427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35938101" y3="0.5080733" z3="6.18601988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.16063463" y3="-0.76355568" z3="4.52647717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.84092129" y3="-0.6227838" z3="4.06561765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.820429" y3="0.00255004" z3="4.07368091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.68115877" y3="-2.15921454" z3="4.1818499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.71408528" y3="-2.2508239" z3="4.56399765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.09458564" y3="-2.90537412" z3="4.74760001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.65431732" y3="-2.51361701" z3="2.6918906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.98476704" y3="-3.56278644" z3="2.56972164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.38853128" y3="-2.47705092" z3="2.31902302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.53075476" y3="-1.61650854" z3="1.8173809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.57297049" y3="-1.61047569" z3="2.18562618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17422907" y3="-0.57186634" z3="1.82321983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54335849" y3="-1.96022025" z3="0.76676425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8607532" y3="-2.80356964" z3="7.70577852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.36246102" y3="-0.65615737" z3="6.80296065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.22758786" y3="-0.0666467" z3="6.48001425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.97245607" y3="-1.99321077" z3="7.82714643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.50662794" y3="0.74249302" z3="11.84526825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06690894" y3="1.28916116" z3="12.70114718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.7960883" y3="-0.26530967" z3="12.19452989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43021596" y3="1.25266086" z3="11.52745466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47641005" y3="0.64315607" z3="10.67943715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.81791513" y3="1.65928162" z3="10.39696261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.38320868" y3="0.10038106" z3="11.01070411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09591022" y3="-0.06709746" z3="9.43950503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53112781" y3="-1.03744443" z3="9.73551781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.7161348" y3="-0.28808718" z3="8.72776207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15354721" y3="0.76931938" z3="8.73672177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24735692" y3="1.00848264" z3="9.23899319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73943703" y3="1.45950093" z3="7.95669835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5265,-1.7629,10.731;-3.1567,-.844,10.241;-3.2427,-1.7235,11.7991;-4.6323,-1.7571,10.6764;-2.9537,-3.007,10.0586;-3.3096,-3.9244,10.5701;-1.8527,-3.008,10.1302;-3.3188,-3.1242,8.5787;-4.4164,-3.2221,8.4742;-2.8393,-4.0254,8.1565;-1.6425,-1.8857,7.4332;-.0736,-.5082,6.0452;.6557,-1.2214,6.4728;.3594,.5081,6.186;-.1606,-.7636,4.5265;.8409,-.6228,4.0656;-.8204,.0026,4.0737;-.6812,-2.1592,4.1818;-1.7141,-2.2508,4.564;-.0946,-2.9054,4.7476;-.6543,-2.5136,2.6919;-.9848,-3.5628,2.5697;.3885,-2.4771,2.319;-1.5308,-1.6165,1.8174;-2.573,-1.6105,2.1856;-1.1742,-.5719,1.8232;-1.5434,-1.9602,.7668;-.8608,-2.8036,7.7058;-1.3625,-.6562,6.803;-2.2276,-.0666,6.48;-2.9725,-1.9932,7.8271;-.5066,.7425,11.8453;-.0669,1.2892,12.7011;-.7961,-.2653,12.1945;-1.4302,1.2527,11.5275;.4764,.6432,10.6794;.8179,1.6593,10.397;1.3832,.1004,11.0107;-.0959,-.0671,9.4395;-.5311,-1.0374,9.7355;.7161,-.2881,8.7278;-1.1535,.7693,8.7367;-2.2474,1.0085,9.239;-.7394,1.4595,7.9567;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605440774680</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">0.003734918755 0.000423101747 0.028388920212 0.008704089354</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="126">-0.003085791 0.000096720 0.000137468 0.000189332 0.000246909 0.000351369 0.000387541 0.001122365 0.001173601 0.001608960 0.001954425 0.002623855 0.003182710 0.003268015 0.004152613 0.004788748 0.005201928 0.006259562 0.006991953 0.007704039 0.009727554 0.011378799 0.012388410 0.016903979 0.019499298 0.020594837 0.024158740 0.026847413 0.028723379 0.031991063 0.033036228 0.033506694 0.034178769 0.036303441 0.040374427 0.043686301 0.046181725 0.046664461 0.047283449 0.050904961 0.052053315 0.052174916 0.054272505 0.057419098 0.059181226 0.059557686 0.067201531 0.067608393 0.070809006 0.071999562 0.074095715 0.075456169 0.077423956 0.079392745 0.081657690 0.082693379 0.087596826 0.097040221 0.098555476 0.100035058 0.106150519 0.109076462 0.113132317 0.113291278 0.115354934 0.129611033 0.134363924 0.136039869 0.137760481 0.138720389 0.146314283 0.154022573 0.162229443 0.168795371 0.171752494 0.174106107 0.178400272 0.187858354 0.194089187 0.202073802 0.208500223 0.213547460 0.228628701 0.248103108 0.251873493 0.291050469 0.309239896 0.341414262 0.376927727 0.414933252 0.430261010 0.474564554 0.498478998 0.543510348 0.586841692 0.611695131 0.619154408 0.660927061 0.730059555 0.737033353 0.750297212 0.754994424 0.770408621 0.777659436 0.779786118 0.782710908 0.784816950 0.797431294 0.805387138 0.814204725 0.821122442 0.823824372 0.845658852 0.847309382 0.849266248 0.864085238 0.891942176 0.899156699 0.900502903 0.903955204 0.914443922 0.918229412 0.933520402 0.970674574 1.420811690 1.544356422</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="-3.52617429" y3="-1.76347726" z3="10.73644241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.15824221" y3="-0.8439547" z3="10.24683248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24252939" y3="-1.72351524" z3="11.8045495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63200171" y3="-1.75871793" z3="10.68163331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95192344" y3="-3.00654831" z3="10.06336898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.30661801" y3="-3.9242434" z3="10.57511145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8508697" y3="-3.00606558" z3="10.13415736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31746723" y3="-3.12328987" z3="8.5834294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41498107" y3="-3.22511792" z3="8.47992173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83518872" y3="-4.02293166" z3="8.16094233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64504834" y3="-1.88344989" z3="7.43244538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07898083" y3="-0.51218271" z3="6.03640426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64901401" y3="-1.22347429" z3="6.46957741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35217907" y3="0.5051184" z3="6.17781349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.15588793" y3="-0.7692063" z3="4.51707228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.84862101" y3="-0.62838159" z3="4.06269986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.81319604" y3="-0.00362433" z3="4.05967768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.67401538" y3="-2.16497477" z3="4.16966516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.70572242" y3="-2.25953093" z3="4.55434913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.08435835" y3="-2.91161079" z3="4.73169175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.64981795" y3="-2.51611374" z3="2.67872987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.97888208" y3="-3.56561715" z3="2.55548689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.39207131" y3="-2.47734564" z3="2.30334962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.52968598" y3="-1.61957371" z3="1.80690761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.57067525" y3="-1.6136484" z3="2.17861032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17359824" y3="-0.57477041" z3="1.81052423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54577933" y3="-1.96411458" z3="0.75656025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8605797" y3="-2.7974746" z3="7.71406863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3714809" y3="-0.66417694" z3="6.78560598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.23546607" y3="-0.06987296" z3="6.4694865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.97533606" y3="-1.9911886" z3="7.83273673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.50089705" y3="0.73980388" z3="11.85978975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05110017" y3="1.27473641" z3="12.71794529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79917539" y3="-0.26780959" z3="12.20213612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42092905" y3="1.26268587" z3="11.55174428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47619898" y3="0.63999226" z3="10.68903128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.82704749" y3="1.65491308" z3="10.41359444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.37848657" y3="0.08522808" z3="11.01215689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10689235" y3="-0.05562329" z3="9.44568142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55042037" y3="-1.02420025" z3="9.73481183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69989746" y3="-0.27887836" z3="8.72900167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15805486" y3="0.79518006" z3="8.75381168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25004234" y3="1.03687156" z3="9.25401808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74985948" y3="1.46956342" z3="7.95879815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5262,-1.7635,10.7364;-3.1582,-.844,10.2468;-3.2425,-1.7235,11.8045;-4.632,-1.7587,10.6816;-2.9519,-3.0065,10.0634;-3.3066,-3.9242,10.5751;-1.8509,-3.0061,10.1342;-3.3175,-3.1233,8.5834;-4.415,-3.2251,8.4799;-2.8352,-4.0229,8.1609;-1.645,-1.8834,7.4324;-.079,-.5122,6.0364;.649,-1.2235,6.4696;.3522,.5051,6.1778;-.1559,-.7692,4.5171;.8486,-.6284,4.0627;-.8132,-.0036,4.0597;-.674,-2.165,4.1697;-1.7057,-2.2595,4.5543;-.0844,-2.9116,4.7317;-.6498,-2.5161,2.6787;-.9789,-3.5656,2.5555;.3921,-2.4773,2.3033;-1.5297,-1.6196,1.8069;-2.5707,-1.6136,2.1786;-1.1736,-.5748,1.8105;-1.5458,-1.9641,.7566;-.8606,-2.7975,7.7141;-1.3715,-.6642,6.7856;-2.2355,-.0699,6.4695;-2.9753,-1.9912,7.8327;-.5009,.7398,11.8598;-.0511,1.2747,12.7179;-.7992,-.2678,12.2021;-1.4209,1.2627,11.5517;.4762,.64,10.689;.827,1.6549,10.4136;1.3785,.0852,11.0122;-.1069,-.0556,9.4457;-.5504,-1.0242,9.7348;.6999,-.2789,8.729;-1.1581,.7952,8.7538;-2.25,1.0369,9.254;-.7499,1.4696,7.9588;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605206164035</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">0.003204545231 0.000339611502 0.031151698681 0.008703638645</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="126">-0.001344871 0.000084968 0.000128433 0.000170182 0.000231425 0.000309898 0.000387784 0.001105276 0.001173663 0.001605231 0.001956489 0.002623994 0.003106792 0.003231170 0.004147522 0.004792397 0.005135728 0.006213802 0.006976472 0.007630519 0.009679795 0.011378597 0.012388546 0.016886814 0.019499171 0.020594420 0.024157520 0.026847274 0.028720487 0.031990606 0.033036160 0.033506699 0.034178645 0.036304700 0.040374881 0.043698504 0.046184002 0.046665009 0.047287613 0.050909549 0.052052812 0.052174748 0.054274569 0.057423022 0.059181231 0.059557590 0.067204763 0.067616852 0.070813934 0.072001193 0.074097090 0.075466120 0.077423949 0.079393743 0.081659672 0.082692647 0.087616347 0.097040157 0.098559533 0.100038443 0.106151288 0.109077425 0.113133597 0.113291346 0.115359160 0.129611162 0.134368503 0.136040336 0.137766684 0.138736004 0.146314838 0.154027876 0.162229603 0.168795673 0.171752475 0.174105965 0.178406349 0.187858369 0.194094134 0.202093294 0.208500488 0.213560015 0.228675275 0.248207263 0.251871977 0.291050815 0.309263218 0.341413439 0.377019577 0.414933383 0.430260815 0.474564339 0.498480328 0.543522301 0.586841717 0.611698585 0.619165433 0.660934791 0.730069356 0.737033767 0.750297235 0.755002529 0.770408635 0.777659498 0.779793825 0.782797808 0.784817341 0.797431299 0.805387714 0.814205389 0.821123726 0.823834083 0.845663924 0.847309981 0.849267476 0.864085803 0.891945144 0.899192779 0.900513021 0.903963775 0.914446037 0.918231822 0.933520368 0.970705522 1.420817483 1.544371486</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="-3.52731472" y3="-1.76588239" z3="10.74249896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.16237567" y3="-0.84535757" z3="10.25337084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24299965" y3="-1.72542695" z3="11.81039876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63314749" y3="-1.76298094" z3="10.68830865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95100639" y3="-3.00707301" z3="10.06784084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.30440567" y3="-3.92560191" z3="10.57899294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84995044" y3="-3.00492017" z3="10.13795239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31657823" y3="-3.1221688" z3="8.58763494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41399251" y3="-3.22729756" z3="8.48474579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83197667" y3="-4.02032014" z3="8.16455937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64694985" y3="-1.88135947" z3="7.43234516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08336452" y3="-0.51723694" z3="6.02746619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64303287" y3="-1.22723895" z3="6.46551335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34669772" y3="0.50074045" z3="6.16952361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.15073471" y3="-0.77524401" z3="4.50740676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.85640577" y3="-0.63415043" z3="4.05896905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.80566324" y3="-0.01004224" z3="4.0459827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.66660133" y3="-2.17103233" z3="4.15717976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6969605" y3="-2.26844036" z3="4.54472713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.07370856" y3="-2.91820768" z3="4.71522312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.64570396" y3="-2.5185895" z3="2.66519797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.97369502" y3="-3.56830526" z3="2.54060569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.39507606" y3="-2.47770641" z3="2.28688546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.52918671" y3="-1.62194333" z3="1.79698618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.56875562" y3="-1.61615986" z3="2.17266189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17334654" y3="-0.5770576" z3="1.79903762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54929526" y3="-1.96654258" z3="0.74668056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86004682" y3="-2.79149991" z3="7.72410368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.37937143" y3="-0.67257047" z3="6.76886629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.24248725" y3="-0.07432768" z3="6.45808978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.97775403" y3="-1.98884731" z3="7.83842596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.49486148" y3="0.73806184" z3="11.87439279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0363672" y3="1.26279759" z3="12.73389827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.80038975" y3="-0.26907142" z3="12.2111231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.41169212" y3="1.27155209" z3="11.57571723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47623458" y3="0.63817158" z3="10.6986903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.83583088" y3="1.65166775" z3="10.42981709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.37418327" y3="0.07231678" z3="11.01368682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11754051" y3="-0.04335346" z3="9.45238499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56979922" y3="-1.00957441" z3="9.73546664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.68387071" y3="-0.26972951" z3="8.73091929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16169815" y3="0.82169092" z3="8.77042805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25107705" y3="1.06802326" z3="9.26854493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.75889532" y3="1.47962561" z3="7.95912199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5273,-1.7659,10.7425;-3.1624,-.8454,10.2534;-3.243,-1.7254,11.8104;-4.6331,-1.763,10.6883;-2.951,-3.0071,10.0678;-3.3044,-3.9256,10.579;-1.85,-3.0049,10.138;-3.3166,-3.1222,8.5876;-4.414,-3.2273,8.4847;-2.832,-4.0203,8.1646;-1.6469,-1.8814,7.4323;-.0834,-.5172,6.0275;.643,-1.2272,6.4655;.3467,.5007,6.1695;-.1507,-.7752,4.5074;.8564,-.6342,4.059;-.8057,-.01,4.046;-.6666,-2.171,4.1572;-1.697,-2.2684,4.5447;-.0737,-2.9182,4.7152;-.6457,-2.5186,2.6652;-.9737,-3.5683,2.5406;.3951,-2.4777,2.2869;-1.5292,-1.6219,1.797;-2.5688,-1.6162,2.1727;-1.1733,-.5771,1.799;-1.5493,-1.9665,.7467;-.86,-2.7915,7.7241;-1.3794,-.6726,6.7689;-2.2425,-.0743,6.4581;-2.9778,-1.9888,7.8384;-.4949,.7381,11.8744;-.0364,1.2628,12.7339;-.8004,-.2691,12.2111;-1.4117,1.2716,11.5757;.4762,.6382,10.6987;.8358,1.6517,10.4298;1.3742,.0723,11.0137;-.1175,-.0434,9.4524;-.5698,-1.0096,9.7355;.6839,-.2697,8.7309;-1.1617,.8217,8.7704;-2.2511,1.068,9.2685;-.7589,1.4796,7.9591;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604983758468</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">0.002767471385 0.000318940152 0.027138929524 0.008703990789</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="126">-0.000790349 0.000053181 0.000118743 0.000162215 0.000230293 0.000296463 0.000389684 0.001090115 0.001174658 0.001600402 0.001955460 0.002625637 0.003019638 0.003226896 0.004147278 0.004794464 0.005111987 0.006181348 0.006973679 0.007610585 0.009659481 0.011378207 0.012388550 0.016877104 0.019499131 0.020593973 0.024157699 0.026845503 0.028717269 0.031990370 0.033035860 0.033505816 0.034178890 0.036304071 0.040374466 0.043692767 0.046182743 0.046664875 0.047286303 0.050907917 0.052052355 0.052175106 0.054274230 0.057422117 0.059180856 0.059557125 0.067204093 0.067615099 0.070813057 0.072000590 0.074095847 0.075463902 0.077423955 0.079393550 0.081658731 0.082691646 0.087614062 0.097040483 0.098559296 0.100038205 0.106151193 0.109077607 0.113133596 0.113291415 0.115359106 0.129611218 0.134368927 0.136040478 0.137766727 0.138735528 0.146314800 0.154028625 0.162229244 0.168795772 0.171752368 0.174107770 0.178406311 0.187858055 0.194095041 0.202091884 0.208500463 0.213568613 0.228690255 0.248198176 0.251869964 0.291050582 0.309263591 0.341412476 0.377018771 0.414933403 0.430260857 0.474564279 0.498479929 0.543523102 0.586841539 0.611698997 0.619173125 0.660938003 0.730093701 0.737033817 0.750297212 0.755003567 0.770408650 0.777659436 0.779798026 0.782796268 0.784817482 0.797431629 0.805387722 0.814205360 0.821124066 0.823835335 0.845665216 0.847309992 0.849267461 0.864085369 0.891944942 0.899193421 0.900512675 0.903963993 0.914447032 0.918231555 0.933520247 0.970706443 1.420920137 1.544372840</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="-3.5293444" y3="-1.76735974" z3="10.74925895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.16792754" y3="-0.84497691" z3="10.26114103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24455608" y3="-1.72718725" z3="11.81705566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63521279" y3="-1.7678017" z3="10.69573984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94962227" y3="-3.00582485" z3="10.07247444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.30039915" y3="-3.92589533" z3="10.58273482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8485342" y3="-3.00077146" z3="10.1418858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31540085" y3="-3.11973909" z3="8.59212102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41267477" y3="-3.22824985" z3="8.4898609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82835461" y3="-4.01623752" z3="8.16830577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.64974405" y3="-1.87773691" z3="7.43144901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08905189" y3="-0.51954644" z3="6.01866909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63657275" y3="-1.22743171" z3="6.4614958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33935128" y3="0.49939471" z3="6.15994467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.14815283" y3="-0.78018686" z3="4.49828027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.86121589" y3="-0.63785856" z3="4.05525064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.80179238" y3="-0.01654258" z3="4.03244094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65965658" y3="-2.17695546" z3="4.14565862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68909063" y3="-2.27854215" z3="4.53452232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.06345172" y3="-2.92347762" z3="4.7011339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.63969822" y3="-2.52161702" z3="2.65279571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.96478185" y3="-3.572102" z3="2.52687617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.40031584" y3="-2.47713829" z3="2.27279272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.52703404" y3="-1.6266584" z3="1.78662109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.56551337" y3="-1.62203659" z3="2.16520303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17274198" y3="-0.58124109" z3="1.78651112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54975083" y3="-1.97217851" z3="0.73667295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86029973" y3="-2.78420994" z3="7.72932473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38745907" y3="-0.67691751" z3="6.75494952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25025623" y3="-0.07689986" z3="6.44704904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98000477" y3="-1.9849509" z3="7.84416566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4876564" y3="0.73507947" z3="11.88857909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01590884" y3="1.2434189" z3="12.75173097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.80554463" y3="-0.27184472" z3="12.21555071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39926637" y3="1.28591574" z3="11.60285616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47606634" y3="0.63462608" z3="10.70677809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84495642" y3="1.64661894" z3="10.44459345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36953606" y3="0.0570914" z3="11.01327278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12833889" y3="-0.03282335" z3="9.45777103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58813518" y3="-0.99681697" z3="9.73574336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66819506" y3="-0.26201112" z3="8.73200365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.166868" y3="0.84402328" z3="8.78420886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25363514" y3="1.0944469" z3="9.28336727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.76871111" y3="1.49054016" z3="7.96353221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5293,-1.7674,10.7493;-3.1679,-.845,10.2611;-3.2446,-1.7272,11.8171;-4.6352,-1.7678,10.6957;-2.9496,-3.0058,10.0725;-3.3004,-3.9259,10.5827;-1.8485,-3.0008,10.1419;-3.3154,-3.1197,8.5921;-4.4127,-3.2282,8.4899;-2.8284,-4.0162,8.1683;-1.6497,-1.8777,7.4314;-.0891,-.5195,6.0187;.6366,-1.2274,6.4615;.3394,.4994,6.1599;-.1482,-.7802,4.4983;.8612,-.6379,4.0553;-.8018,-.0165,4.0324;-.6597,-2.177,4.1457;-1.6891,-2.2785,4.5345;-.0635,-2.9235,4.7011;-.6397,-2.5216,2.6528;-.9648,-3.5721,2.5269;.4003,-2.4771,2.2728;-1.527,-1.6267,1.7866;-2.5655,-1.622,2.1652;-1.1727,-.5812,1.7865;-1.5498,-1.9722,.7367;-.8603,-2.7842,7.7293;-1.3875,-.6769,6.7549;-2.2503,-.0769,6.447;-2.98,-1.985,7.8442;-.4877,.7351,11.8886;-.0159,1.2434,12.7517;-.8055,-.2718,12.2156;-1.3993,1.2859,11.6029;.4761,.6346,10.7068;.845,1.6466,10.4446;1.3695,.0571,11.0133;-.1283,-.0328,9.4578;-.5881,-.9968,9.7357;.6682,-.262,8.732;-1.1669,.844,8.7842;-2.2536,1.0944,9.2834;-.7687,1.4905,7.9635;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604807247433</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">0.002598352383 0.000312467689 0.028734333476 0.008704327657</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="126">-0.001289245 0.000095394 0.000140231 0.000214477 0.000257903 0.000335588 0.000403870 0.001152491 0.001205094 0.001618433 0.001953273 0.002626712 0.003206341 0.003296068 0.004155516 0.004796894 0.005180390 0.006223407 0.006996457 0.007644596 0.009720279 0.011378638 0.012389293 0.016899195 0.019499099 0.020596264 0.024162181 0.026844078 0.028744308 0.031990213 0.033035965 0.033505934 0.034179272 0.036303797 0.040374545 0.043696045 0.046183813 0.046665176 0.047286820 0.050907658 0.052051867 0.052174574 0.054276232 0.057424333 0.059181239 0.059556583 0.067204636 0.067616817 0.070814360 0.072001714 0.074097748 0.075464043 0.077423945 0.079393544 0.081657751 0.082691067 0.087619630 0.097040548 0.098560084 0.100038309 0.106151239 0.109077349 0.113133399 0.113291376 0.115359236 0.129611121 0.134371202 0.136043684 0.137766383 0.138734316 0.146316466 0.154030416 0.162229819 0.168795720 0.171753826 0.174116731 0.178406244 0.187857883 0.194095049 0.202116406 0.208521876 0.213586651 0.228693870 0.248206974 0.251868027 0.291050423 0.309268880 0.341411639 0.377102950 0.414934162 0.430260708 0.474564024 0.498491865 0.543522855 0.586841384 0.611698836 0.619243973 0.660937779 0.730098414 0.737033935 0.750297469 0.755003547 0.770408689 0.777660373 0.779797819 0.782917162 0.784817481 0.797431646 0.805387777 0.814205822 0.821124056 0.823843667 0.845665424 0.847310188 0.849267456 0.864085422 0.891944702 0.899215645 0.900514699 0.903963718 0.914448366 0.918231311 0.933520178 0.970703423 1.420992210 1.544372760</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="-3.53274541" y3="-1.76812726" z3="10.7553939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17455869" y3="-0.84396594" z3="10.26927659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24802213" y3="-1.7282165" z3="11.8232472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63858363" y3="-1.77114171" z3="10.70194325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94979986" y3="-3.00389314" z3="10.0764812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.29790277" y3="-3.92502863" z3="10.58666364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84867718" y3="-2.9959126" z3="10.14447591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31596503" y3="-3.11745523" z3="8.59596382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41334064" y3="-3.22868286" z3="8.49498396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82762897" y3="-4.01377545" z3="8.17314817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65157583" y3="-1.87856475" z3="7.42750773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09350238" y3="-0.52462994" z3="6.00698448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63177964" y3="-1.23037122" z3="6.45403207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33116145" y3="0.49598108" z3="6.15209426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.14344972" y3="-0.7837339" z3="4.48619615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.86714608" y3="-0.63999305" z3="4.0466696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.79693628" y3="-0.02089365" z3="4.01899956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6534414" y3="-2.1808579" z3="4.13414252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68217414" y3="-2.28263025" z3="4.52464426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.05641282" y3="-2.92652986" z3="4.68992942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.63435582" y3="-2.52492042" z3="2.64152193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.95792961" y3="-3.57579869" z3="2.51513891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.4051756" y3="-2.47812913" z3="2.26050784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.52430243" y3="-1.63040308" z3="1.77755379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.56197937" y3="-1.62698979" z3="2.15838368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17122313" y3="-0.58458525" z3="1.77763395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54867155" y3="-1.97521289" z3="0.72743342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86019066" y3="-2.78177868" z3="7.73869228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39707978" y3="-0.69284628" z3="6.72923497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25811755" y3="-0.08321323" z3="6.43402176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98335651" y3="-1.98355175" z3="7.84762715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47999827" y3="0.73053223" z3="11.90156775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00680211" y3="1.23519853" z3="12.76319708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79872753" y3="-0.27551718" z3="12.22649117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39008976" y3="1.28250532" z3="11.62114307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47957728" y3="0.63296191" z3="10.71658831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.85302571" y3="1.6439037" z3="10.45890637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.37030941" y3="0.04834593" z3="11.01463966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1355709" y3="-0.02151793" z3="9.46591144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60065725" y3="-0.98493965" z3="9.73657765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65302465" y3="-0.25016608" z3="8.73133205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16958394" y3="0.87275762" z3="8.8117117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25324273" y3="1.12281686" z3="9.30779053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78296581" y3="1.49835801" z3="7.96598871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5327,-1.7681,10.7554;-3.1746,-.844,10.2693;-3.248,-1.7282,11.8232;-4.6386,-1.7711,10.7019;-2.9498,-3.0039,10.0765;-3.2979,-3.925,10.5867;-1.8487,-2.9959,10.1445;-3.316,-3.1175,8.596;-4.4133,-3.2287,8.495;-2.8276,-4.0138,8.1731;-1.6516,-1.8786,7.4275;-.0935,-.5246,6.007;.6318,-1.2304,6.454;.3312,.496,6.1521;-.1434,-.7837,4.4862;.8671,-.64,4.0467;-.7969,-.0209,4.019;-.6534,-2.1809,4.1341;-1.6822,-2.2826,4.5246;-.0564,-2.9265,4.6899;-.6344,-2.5249,2.6415;-.9579,-3.5758,2.5151;.4052,-2.4781,2.2605;-1.5243,-1.6304,1.7776;-2.562,-1.627,2.1584;-1.1712,-.5846,1.7776;-1.5487,-1.9752,.7274;-.8602,-2.7818,7.7387;-1.3971,-.6928,6.7292;-2.2581,-.0832,6.434;-2.9834,-1.9836,7.8476;-.48,.7305,11.9016;-.0068,1.2352,12.7632;-.7987,-.2755,12.2265;-1.3901,1.2825,11.6211;.4796,.633,10.7166;.853,1.6439,10.4589;1.3703,.0483,11.0146;-.1356,-.0215,9.4659;-.6007,-.9849,9.7366;.653,-.2502,8.7313;-1.1696,.8728,8.8117;-2.2532,1.1228,9.3078;-.783,1.4984,7.966;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604542925302</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">0.006791753223 0.000905708961 0.030539814459 0.008703844971</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="126">-0.003371078 0.000111640 0.000154031 0.000217873 0.000265189 0.000390217 0.000559753 0.001163263 0.001308020 0.001647216 0.001945985 0.002626663 0.003220800 0.003793684 0.004161329 0.004821082 0.005374266 0.006527174 0.007130335 0.008105917 0.010275576 0.011385264 0.012390449 0.017291154 0.019502730 0.020634629 0.024281373 0.026854340 0.029148338 0.031992178 0.033047529 0.033539218 0.034195973 0.036304085 0.040386614 0.043867141 0.046230956 0.046671931 0.047332716 0.050939931 0.052056996 0.052181355 0.054314949 0.057472551 0.059184409 0.059557842 0.067228335 0.067726007 0.070824747 0.072058883 0.074131702 0.075586549 0.077424451 0.079397917 0.081658736 0.082698963 0.087853125 0.097062281 0.098580293 0.100047668 0.106159129 0.109088574 0.113136564 0.113291391 0.115360644 0.129611660 0.134440533 0.136059958 0.137776239 0.138756966 0.146353425 0.154124213 0.162237674 0.168799917 0.171767547 0.174168138 0.178421463 0.187859958 0.194146877 0.202144113 0.208701118 0.214033732 0.228957767 0.248204652 0.251869139 0.291056662 0.309290114 0.341409994 0.377162499 0.414934440 0.430262070 0.474564049 0.498584949 0.543527329 0.586841097 0.611701509 0.619501177 0.660950468 0.730343638 0.737033918 0.750297342 0.755006886 0.770409052 0.777660327 0.779807478 0.783156091 0.784818320 0.797434542 0.805389437 0.814206663 0.821133665 0.823858418 0.845665352 0.847312780 0.849268717 0.864091864 0.891944123 0.899235676 0.900513268 0.903965962 0.914447845 0.918232376 0.933522872 0.970707729 1.423080810 1.544374402</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="-3.53300986" y3="-1.76140618" z3="10.76223824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17631596" y3="-0.83618802" z3="10.27518178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24743564" y3="-1.72217507" z3="11.82988188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63898435" y3="-1.76817727" z3="10.71008542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94739868" y3="-2.99581996" z3="10.08287518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.29177168" y3="-3.91855354" z3="10.59281475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84617687" y3="-2.98470049" z3="10.15061823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3153585" y3="-3.11143375" z3="8.60325655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41246195" y3="-3.22235385" z3="8.50265708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82670695" y3="-4.00671658" z3="8.1789581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65645372" y3="-1.87005355" z3="7.43378563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09929394" y3="-0.51621748" z3="6.0135902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62694426" y3="-1.22188311" z3="6.45868348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32834335" y3="0.50330378" z3="6.15037901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.15522337" y3="-0.78133134" z3="4.49335919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.85461927" y3="-0.63148797" z3="4.05372584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.81270816" y3="-0.02324309" z3="4.02395848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.652715" y3="-2.18224432" z3="4.13560136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68212067" y3="-2.29625884" z3="4.52153675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.04964575" y3="-2.92523794" z3="4.68867891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.62570246" y3="-2.52197433" z3="2.64102165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.94023699" y3="-3.57527671" z3="2.51105048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.41488193" y3="-2.4668091" z3="2.26377375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.51857873" y3="-1.6338015" z3="1.77321277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5573308" y3="-1.63521508" z3="2.15090306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17102282" y3="-0.58609645" z3="1.77071975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.53863771" y3="-1.98150497" z3="0.72392378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86490644" y3="-2.77422715" z3="7.72820596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39556609" y3="-0.6679346" z3="6.75628479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25977749" y3="-0.07379566" z3="6.44230183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98312292" y3="-1.9760168" z3="7.85379106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48079478" y3="0.72167074" z3="11.89624839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00350808" y3="1.21416672" z3="12.76266753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.80630042" y3="-0.28594695" z3="12.21389448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38903004" y3="1.28601588" z3="11.6246272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47390215" y3="0.62554543" z3="10.70638787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84597777" y3="1.63781618" z3="10.45021145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36631729" y3="0.04178981" z3="11.00419332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13707708" y3="-0.03224528" z3="9.45577701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60111119" y3="-0.99438506" z3="9.73275675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65799877" y3="-0.26394555" z3="8.72957929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17444068" y3="0.84541" z3="8.78117189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25832111" y3="1.10159916" z3="9.28946103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77511583" y3="1.49672713" z3="7.96834172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.533,-1.7614,10.7622;-3.1763,-.8362,10.2752;-3.2474,-1.7222,11.8299;-4.639,-1.7682,10.7101;-2.9474,-2.9958,10.0829;-3.2918,-3.9186,10.5928;-1.8462,-2.9847,10.1506;-3.3154,-3.1114,8.6033;-4.4125,-3.2224,8.5027;-2.8267,-4.0067,8.179;-1.6565,-1.8701,7.4338;-.0993,-.5162,6.0136;.6269,-1.2219,6.4587;.3283,.5033,6.1504;-.1552,-.7813,4.4934;.8546,-.6315,4.0537;-.8127,-.0232,4.024;-.6527,-2.1822,4.1356;-1.6821,-2.2963,4.5215;-.0496,-2.9252,4.6887;-.6257,-2.522,2.641;-.9402,-3.5753,2.5111;.4149,-2.4668,2.2638;-1.5186,-1.6338,1.7732;-2.5573,-1.6352,2.1509;-1.171,-.5861,1.7707;-1.5386,-1.9815,.7239;-.8649,-2.7742,7.7282;-1.3956,-.6679,6.7563;-2.2598,-.0738,6.4423;-2.9831,-1.976,7.8538;-.4808,.7217,11.8962;.0035,1.2142,12.7627;-.8063,-.2859,12.2139;-1.389,1.286,11.6246;.4739,.6255,10.7064;.846,1.6378,10.4502;1.3663,.0418,11.0042;-.1371,-.0322,9.4558;-.6011,-.9944,9.7328;.658,-.2639,8.7296;-1.1744,.8454,8.7812;-2.2583,1.1016,9.2895;-.7751,1.4967,7.9683;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604735571821</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">0.008732102815 0.001066458251 0.023300136124 0.008703726845</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="126">-0.007908632 0.000109704 0.000140433 0.000205169 0.000255827 0.000352355 0.000432210 0.001158107 0.001220022 0.001615304 0.001964661 0.002629658 0.003218590 0.003659402 0.004157008 0.004814953 0.005428349 0.006588461 0.007164483 0.008447365 0.011194859 0.011525554 0.012390304 0.018060267 0.019515152 0.020730360 0.024538697 0.026883890 0.030008268 0.032011823 0.033079807 0.033689164 0.034246881 0.036307742 0.040416756 0.044303899 0.046344555 0.046683641 0.047572734 0.051035523 0.052066488 0.052204256 0.054448142 0.057625805 0.059196785 0.059561781 0.067260578 0.068050948 0.070840862 0.072189808 0.074217841 0.076027861 0.077427948 0.079420793 0.081676652 0.082713193 0.088505679 0.097122713 0.098639944 0.100076951 0.106180585 0.109115482 0.113142309 0.113291397 0.115362736 0.129614651 0.134605129 0.136090733 0.137802042 0.138847921 0.146452425 0.154390964 0.162258288 0.168809970 0.171809828 0.174302044 0.178467274 0.187862275 0.194276505 0.202166068 0.208916023 0.215083785 0.229660523 0.248221393 0.251873493 0.291069152 0.309312018 0.341411901 0.377221721 0.414934854 0.430269122 0.474564251 0.498708725 0.543538569 0.586842864 0.611707455 0.619997049 0.660974686 0.730913314 0.737035057 0.750299325 0.755013614 0.770409955 0.777662650 0.779838542 0.783474853 0.784819103 0.797441174 0.805394271 0.814207310 0.821145159 0.823901661 0.845665438 0.847321829 0.849271713 0.864108665 0.891947961 0.899275340 0.900516457 0.903970160 0.914450794 0.918238475 0.933527214 0.970742249 1.427079573 1.544382007</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="-3.53429656" y3="-1.76965365" z3="10.75817726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17707047" y3="-0.8436651" z3="10.27351316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25069741" y3="-1.7316441" z3="11.8263876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64010788" y3="-1.77538394" z3="10.70390086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94841038" y3="-3.00356693" z3="10.07824908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.29514205" y3="-3.92632101" z3="10.58644188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84741229" y3="-2.99373373" z3="10.14780766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31324211" y3="-3.11635874" z3="8.59754247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41008381" y3="-3.22901205" z3="8.49482899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82263313" y3="-4.01057973" z3="8.17299654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65249618" y3="-1.87173501" z3="7.43317981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09553083" y3="-0.52466695" z3="6.00805508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62780766" y3="-1.23068464" z3="6.45750785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33256012" y3="0.49468673" z3="6.14614247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.14356836" y3="-0.79025738" z3="4.48699839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.87017201" y3="-0.64867617" z3="4.05303716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.79245569" y3="-0.02729929" z3="4.01280378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6509049" y3="-2.18715757" z3="4.12833847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67933416" y3="-2.29432745" z3="4.51844554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.0505802" y3="-2.93489075" z3="4.67809192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.63320368" y3="-2.52556017" z3="2.63314325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.9557364" y3="-3.57649195" z3="2.5040116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.40565391" y3="-2.47741574" z3="2.25019489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.52500578" y3="-1.63110025" z3="1.7706271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.56160194" y3="-1.62540481" z3="2.15452819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17030901" y3="-0.58582369" z3="1.7663995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.55367393" y3="-1.9784756" z3="0.7212033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.85881444" y3="-2.77174179" z3="7.73903162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39595621" y3="-0.67838014" z3="6.74235521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25911357" y3="-0.08267275" z3="6.42943525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98131305" y3="-1.97942638" z3="7.85117372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47618243" y3="0.73143572" z3="11.91041235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01380402" y3="1.21965638" z3="12.77606559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.80527591" y3="-0.27525549" z3="12.22701679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38299159" y3="1.30112394" z3="11.64463982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47457436" y3="0.63364722" z3="10.71752162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.85311655" y3="1.64455264" z3="10.46476353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36378235" y3="0.04278985" z3="11.01067147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14288102" y3="-0.01626242" z3="9.465787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61108636" y3="-0.97729265" z3="9.73927916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64851312" y3="-0.24844451" z3="8.73603863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1767789" y3="0.86856566" z3="8.79841672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25965043" y3="1.1248993" z3="9.30463971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78480479" y3="1.50739241" z3="7.97257086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5343,-1.7697,10.7582;-3.1771,-.8437,10.2735;-3.2507,-1.7316,11.8264;-4.6401,-1.7754,10.7039;-2.9484,-3.0036,10.0782;-3.2951,-3.9263,10.5864;-1.8474,-2.9937,10.1478;-3.3132,-3.1164,8.5975;-4.4101,-3.229,8.4948;-2.8226,-4.0106,8.173;-1.6525,-1.8717,7.4332;-.0955,-.5247,6.0081;.6278,-1.2307,6.4575;.3326,.4947,6.1461;-.1436,-.7903,4.487;.8702,-.6487,4.053;-.7925,-.0273,4.0128;-.6509,-2.1872,4.1283;-1.6793,-2.2943,4.5184;-.0506,-2.9349,4.6781;-.6332,-2.5256,2.6331;-.9557,-3.5765,2.504;.4057,-2.4774,2.2502;-1.525,-1.6311,1.7706;-2.5616,-1.6254,2.1545;-1.1703,-.5858,1.7664;-1.5537,-1.9785,.7212;-.8588,-2.7717,7.739;-1.396,-.6784,6.7424;-2.2591,-.0827,6.4294;-2.9813,-1.9794,7.8512;-.4762,.7314,11.9104;.0138,1.2197,12.7761;-.8053,-.2753,12.227;-1.383,1.3011,11.6446;.4746,.6336,10.7175;.8531,1.6446,10.4648;1.3638,.0428,11.0107;-.1429,-.0163,9.4658;-.6111,-.9773,9.7393;.6485,-.2484,8.736;-1.1768,.8686,8.7984;-2.2597,1.1249,9.3046;-.7848,1.5074,7.9726;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604509920536</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">0.008325471778 0.001026165011 0.031062557876 0.008703893402</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="126">-0.003867055 -0.000207457 0.000120552 0.000153693 0.000225876 0.000276459 0.000423318 0.000716596 0.001197824 0.001518258 0.001925994 0.002218777 0.002630091 0.003224046 0.004150259 0.004804011 0.005181894 0.006242420 0.007088180 0.007910348 0.010652912 0.011427824 0.012390789 0.018271316 0.019541364 0.020809143 0.024638160 0.026885938 0.030636474 0.032023833 0.033103460 0.033821599 0.034369277 0.036306594 0.040437534 0.044608068 0.046440080 0.046707413 0.047837638 0.051163057 0.052075742 0.052270758 0.054595078 0.057789981 0.059218019 0.059561530 0.067271175 0.068423134 0.070857649 0.072395789 0.074267255 0.076734798 0.077445002 0.079458012 0.081694875 0.082731275 0.089588578 0.097218519 0.098749551 0.100141028 0.106229035 0.109174740 0.113158452 0.113291288 0.115365389 0.129622891 0.134867112 0.136180049 0.137852018 0.138992342 0.146573930 0.154824550 0.162310196 0.168830960 0.171844495 0.174472494 0.178538103 0.187863358 0.194505414 0.202199650 0.209270581 0.217101765 0.231145503 0.248214381 0.251884721 0.291122155 0.309404846 0.341412781 0.377479698 0.414936137 0.430271323 0.474570430 0.498905613 0.543545300 0.586842902 0.611710135 0.620833013 0.661006592 0.731915887 0.737035856 0.750300632 0.755015568 0.770411394 0.777663616 0.779864741 0.784267125 0.784828319 0.797455123 0.805404626 0.814225749 0.821186354 0.823940090 0.845667799 0.847337695 0.849280978 0.864169153 0.891947847 0.899386322 0.900522097 0.904000452 0.914452412 0.918260455 0.933553960 0.970996530 1.435135803 1.544397028</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="-3.53215552" y3="-1.76508412" z3="10.75723232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17405713" y3="-0.84045874" z3="10.27086708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24767167" y3="-1.72618855" z3="11.82517531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63800017" y3="-1.76985257" z3="10.70372899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94784711" y3="-3.00015956" z3="10.07815922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.29494434" y3="-3.9223946" z3="10.58695428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84681017" y3="-2.99117834" z3="10.14763826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31357301" y3="-3.11343948" z3="8.59776741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41059223" y3="-3.22439206" z3="8.49561967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82428662" y3="-4.00824254" z3="8.17299365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65229828" y3="-1.87059819" z3="7.43326457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09374378" y3="-0.51799248" z3="6.01622939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63116729" y3="-1.22454403" z3="6.46237601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33584218" y3="0.50115575" z3="6.15290655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.15149628" y3="-0.78335605" z3="4.49638722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.85842992" y3="-0.63811507" z3="4.05583239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.8066721" y3="-0.0225251" z3="4.02806014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65611657" y3="-2.1819018" z3="4.14002758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68536124" y3="-2.29171883" z3="4.52734835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.05563072" y3="-2.9275742" z3="4.69217013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.63256839" y3="-2.52127959" z3="2.64526931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.95118128" y3="-3.57323256" z3="2.51531105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.40773534" y3="-2.46985093" z3="2.26687412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.52305831" y3="-1.62994362" z3="1.77820817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.56145767" y3="-1.62680288" z3="2.15711028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17130088" y3="-0.58366201" z3="1.77443035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.54581262" y3="-1.97850019" z3="0.72908122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86128676" y3="-2.77615705" z3="7.73087546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3914221" y3="-0.67125793" z3="6.75412321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25433536" y3="-0.0713235" z3="6.44584354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98083506" y3="-1.97743901" z3="7.8505739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4830586" y3="0.72848747" z3="11.8940472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00075792" y3="1.22134297" z3="12.75936221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.8098505" y3="-0.27820125" z3="12.21234322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39050713" y3="1.29295683" z3="11.62228998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47300058" y3="0.63061588" z3="10.70582903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84221379" y3="1.64253009" z3="10.44539822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36639598" y3="0.05076364" z3="11.00610224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13514313" y3="-0.03335048" z3="9.45751483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59719961" y3="-0.99579026" z3="9.73616719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66075237" y3="-0.26498677" z3="8.73193369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17224453" y3="0.84514069" z3="8.78490425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25922879" y3="1.09383674" z3="9.28293906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77290947" y3="1.49405162" z3="7.96510262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5322,-1.7651,10.7572;-3.1741,-.8405,10.2709;-3.2477,-1.7262,11.8252;-4.638,-1.7699,10.7037;-2.9478,-3.0002,10.0782;-3.2949,-3.9224,10.587;-1.8468,-2.9912,10.1476;-3.3136,-3.1134,8.5978;-4.4106,-3.2244,8.4956;-2.8243,-4.0082,8.173;-1.6523,-1.8706,7.4333;-.0937,-.518,6.0162;.6312,-1.2245,6.4624;.3358,.5012,6.1529;-.1515,-.7834,4.4964;.8584,-.6381,4.0558;-.8067,-.0225,4.0281;-.6561,-2.1819,4.14;-1.6854,-2.2917,4.5273;-.0556,-2.9276,4.6922;-.6326,-2.5213,2.6453;-.9512,-3.5732,2.5153;.4077,-2.4699,2.2669;-1.5231,-1.6299,1.7782;-2.5615,-1.6268,2.1571;-1.1713,-.5837,1.7744;-1.5458,-1.9785,.7291;-.8613,-2.7762,7.7309;-1.3914,-.6713,6.7541;-2.2543,-.0713,6.4458;-2.9808,-1.9774,7.8506;-.4831,.7285,11.894;.0008,1.2213,12.7594;-.8099,-.2782,12.2123;-1.3905,1.293,11.6223;.473,.6306,10.7058;.8422,1.6425,10.4454;1.3664,.0508,11.0061;-.1351,-.0334,9.4575;-.5972,-.9958,9.7362;.6608,-.265,8.7319;-1.1722,.8451,8.7849;-2.2592,1.0938,9.2829;-.7729,1.4941,7.9651;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604792242986</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">0.001928026712 0.000320291772 0.021933238184 0.008704328734</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="126">-0.002477088 0.000084635 0.000120073 0.000181800 0.000244870 0.000260841 0.000376452 0.001144383 0.001295052 0.001562850 0.001983483 0.002629170 0.003224759 0.003804663 0.004149645 0.004805848 0.005460841 0.006391949 0.007114565 0.008306509 0.010904692 0.011568688 0.012391966 0.018269623 0.019538078 0.020816721 0.024631713 0.026914548 0.030771549 0.032013829 0.033103425 0.033926196 0.034359814 0.036309847 0.040441637 0.044597273 0.046450201 0.046710038 0.047825719 0.051161556 0.052076006 0.052268158 0.054652905 0.057852306 0.059226154 0.059564339 0.067269676 0.068501562 0.070861236 0.072418495 0.074295801 0.076998542 0.077460622 0.079474481 0.081693649 0.082729422 0.089979410 0.097317392 0.098802078 0.100160926 0.106250434 0.109189247 0.113161132 0.113291731 0.115365131 0.129627422 0.134952361 0.136177786 0.137871630 0.139108183 0.146676456 0.155384394 0.162311127 0.168836961 0.171861928 0.174437058 0.178595646 0.187863606 0.194630250 0.202212644 0.209314029 0.217829271 0.232124019 0.248201307 0.251890170 0.291127707 0.309495849 0.341414472 0.377708254 0.414941128 0.430282013 0.474580301 0.499115056 0.543564754 0.586843497 0.611714987 0.620927638 0.661026378 0.732960755 0.737046009 0.750308651 0.755017090 0.770415021 0.777669394 0.779917444 0.784340706 0.784836668 0.797466178 0.805407660 0.814239915 0.821217617 0.824177637 0.845686124 0.847340988 0.849283186 0.864211429 0.891948283 0.899398354 0.900553189 0.904006033 0.914455268 0.918263670 0.933581973 0.971199549 1.443402850 1.544448441</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="-3.53057942" y3="-1.75645504" z3="10.76468846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17420645" y3="-0.83168802" z3="10.27704787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24473512" y3="-1.71684949" z3="11.83226406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63650743" y3="-1.76337596" z3="10.71278209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94511175" y3="-2.99084735" z3="10.08539359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.28848122" y3="-3.91361661" z3="10.59575527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84388538" y3="-2.97928763" z3="10.15265839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31433017" y3="-3.10674755" z3="8.60612894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41153321" y3="-3.21766811" z3="8.50672265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82583575" y3="-4.00181538" z3="8.18128581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.65721543" y3="-1.86701048" z3="7.43337837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09997106" y3="-0.50950492" z3="6.0187826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62776917" y3="-1.21463853" z3="6.46246818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32836747" y3="0.5103377" z3="6.15364642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.16313164" y3="-0.77553515" z3="4.49981016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.84302804" y3="-0.61959237" z3="4.05453433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.82860534" y3="-0.02141397" z3="4.03542285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65391502" y3="-2.17927784" z3="4.14384612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68332581" y3="-2.29989418" z3="4.52797805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.0475182" y3="-2.9189714" z3="4.69758076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.62149316" y3="-2.51787368" z3="2.64904896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.92929404" y3="-3.5728298" z3="2.51691815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.42013471" y3="-2.45603059" z3="2.27559881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.51608913" y3="-1.63423473" z3="1.77819677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.55602734" y3="-1.63931382" z3="2.15291779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17286487" y3="-0.58508037" z3="1.77495049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.53182854" y3="-1.98366374" z3="0.72925998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86731468" y3="-2.77616164" z3="7.72105792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39458824" y3="-0.66215685" z3="6.76242482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25801094" y3="-0.0613845" z3="6.45661226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98316704" y3="-1.9717681" z3="7.85619654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48671984" y3="0.7193091" z3="11.88213844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00147616" y3="1.19985869" z3="12.75277996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.82680905" y3="-0.28678639" z3="12.19122184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38729435" y3="1.29673767" z3="11.61200277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47149861" y3="0.61867777" z3="10.69623587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84132411" y3="1.63034648" z3="10.43387644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.364514" y3="0.03917136" z3="10.99972689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13439963" y3="-0.04870727" z3="9.44869175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5948019" y3="-1.0113156" z3="9.72974638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66339679" y3="-0.28113305" z3="8.72518162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17256468" y3="0.82709408" z3="8.77247254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26100561" y3="1.07446758" z3="9.27011237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7667094" y3="1.48601701" z3="7.9628285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5306,-1.7565,10.7647;-3.1742,-.8317,10.277;-3.2447,-1.7168,11.8323;-4.6365,-1.7634,10.7128;-2.9451,-2.9908,10.0854;-3.2885,-3.9136,10.5958;-1.8439,-2.9793,10.1527;-3.3143,-3.1067,8.6061;-4.4115,-3.2177,8.5067;-2.8258,-4.0018,8.1813;-1.6572,-1.867,7.4334;-.1,-.5095,6.0188;.6278,-1.2146,6.4625;.3284,.5103,6.1536;-.1631,-.7755,4.4998;.843,-.6196,4.0545;-.8286,-.0214,4.0354;-.6539,-2.1793,4.1438;-1.6833,-2.2999,4.528;-.0475,-2.919,4.6976;-.6215,-2.5179,2.649;-.9293,-3.5728,2.5169;.4201,-2.456,2.2756;-1.5161,-1.6342,1.7782;-2.556,-1.6393,2.1529;-1.1729,-.5851,1.775;-1.5318,-1.9837,.7293;-.8673,-2.7762,7.7211;-1.3946,-.6622,6.7624;-2.258,-.0614,6.4566;-2.9832,-1.9718,7.8562;-.4867,.7193,11.8821;.0015,1.1999,12.7528;-.8268,-.2868,12.1912;-1.3873,1.2967,11.612;.4715,.6187,10.6962;.8413,1.6303,10.4339;1.3645,.0392,10.9997;-.1344,-.0487,9.4487;-.5948,-1.0113,9.7297;.6634,-.2811,8.7252;-1.1726,.8271,8.7725;-2.261,1.0745,9.2701;-.7667,1.486,7.9628;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604964310317</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">0.003037699245 0.000474394756 0.028787682103 0.008703436882</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="126">-0.003453946 0.000091694 0.000141124 0.000198680 0.000249947 0.000353773 0.000546403 0.001151190 0.001473845 0.001592260 0.002019924 0.002631539 0.003224644 0.004050523 0.004151327 0.004807914 0.005478054 0.006408995 0.007114085 0.008332696 0.010909216 0.011578178 0.012392494 0.018255516 0.019536865 0.020818294 0.024624423 0.026913644 0.030785870 0.032012851 0.033103207 0.033953380 0.034354932 0.036310932 0.040441438 0.044597095 0.046449076 0.046708589 0.047840442 0.051163976 0.052076932 0.052269103 0.054658064 0.057868424 0.059232920 0.059564000 0.067269612 0.068544112 0.070858661 0.072425196 0.074296347 0.077064904 0.077467892 0.079485657 0.081710670 0.082727072 0.090058627 0.097338522 0.098814551 0.100166682 0.106255693 0.109195833 0.113163861 0.113291818 0.115366043 0.129628346 0.134967618 0.136172345 0.137877737 0.139134510 0.146696242 0.155537719 0.162309487 0.168839685 0.171861041 0.174426485 0.178605806 0.187863791 0.194671459 0.202246005 0.209301840 0.217848309 0.232405458 0.248274974 0.251890455 0.291126457 0.309497252 0.341415679 0.377815229 0.414944358 0.430285389 0.474588105 0.499162461 0.543571766 0.586843664 0.611717027 0.620905888 0.661031749 0.733271941 0.737049178 0.750308908 0.755017273 0.770415155 0.777679356 0.779972153 0.784380928 0.784836293 0.797466916 0.805408852 0.814240387 0.821221897 0.824179154 0.845686139 0.847341979 0.849283609 0.864214502 0.891948408 0.899398887 0.900561167 0.904006215 0.914459866 0.918266455 0.933585654 0.971220328 1.444318278 1.544450681</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="-3.53098605" y3="-1.74879615" z3="10.77526971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17820739" y3="-0.82339479" z3="10.28651596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24341456" y3="-1.70776409" z3="11.84233686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63697716" y3="-1.75903256" z3="10.72530418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94300094" y3="-2.98158287" z3="10.09528093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2816024" y3="-3.90505186" z3="10.60755246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84163423" y3="-2.96627685" z3="10.15962201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31594326" y3="-3.10023434" z3="8.61707987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41332549" y3="-3.21313449" z3="8.52119325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8271061" y3="-3.99526433" z3="8.19260139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66458126" y3="-1.86346549" z3="7.43262641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.11111687" y3="-0.50598488" z3="6.01359318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61875573" y3="-1.20823757" z3="6.45849918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.31390098" y3="0.5154422" z3="6.14779399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.17156973" y3="-0.77276428" z3="4.49486493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.83308291" y3="-0.6056546" z3="4.05015396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.84513054" y3="-0.02555545" z3="4.03089899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64644465" y3="-2.18162452" z3="4.13668037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67526262" y3="-2.31486492" z3="4.51871347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.03244367" y3="-2.91554129" z3="4.68996067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.60675751" y3="-2.51745652" z3="2.64125029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.90359235" y3="-3.57532447" z3="2.50641686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.43537633" y3="-2.44462993" z3="2.27092061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.50726974" y3="-1.64135923" z3="1.76876403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54793498" y3="-1.65527222" z3="2.14127337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17296383" y3="-0.58924347" z3="1.76598873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.51790997" y3="-1.99104362" z3="0.71984682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8734458" y3="-2.7720222" z3="7.7195692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40531378" y3="-0.66189078" z3="6.75643632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.2689618" y3="-0.05892085" z3="6.45538069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98851624" y3="-1.9662339" z3="7.86426533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48309479" y3="0.70642232" z3="11.88476383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01296175" y3="1.171071" z3="12.75987493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.83470077" y3="-0.29888465" z3="12.18307846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37739373" y3="1.29813067" z3="11.62360342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47167099" y3="0.60715082" z3="10.69582918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84633546" y3="1.61778126" z3="10.43809381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36163312" y3="0.0210417" z3="10.99413962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13959952" y3="-0.05037371" z3="9.44617432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60328135" y3="-1.0123865" z3="9.7231997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65547783" y3="-0.28300473" z3="8.7199212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17551779" y3="0.83296189" z3="8.77701961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26078196" y3="1.08389502" z3="9.27772393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77177407" y3="1.48776253" z3="7.96229686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.531,-1.7488,10.7753;-3.1782,-.8234,10.2865;-3.2434,-1.7078,11.8423;-4.637,-1.759,10.7253;-2.943,-2.9816,10.0953;-3.2816,-3.9051,10.6076;-1.8416,-2.9663,10.1596;-3.3159,-3.1002,8.6171;-4.4133,-3.2131,8.5212;-2.8271,-3.9953,8.1926;-1.6646,-1.8635,7.4326;-.1111,-.506,6.0136;.6188,-1.2082,6.4585;.3139,.5154,6.1478;-.1716,-.7728,4.4949;.8331,-.6057,4.0502;-.8451,-.0256,4.0309;-.6464,-2.1816,4.1367;-1.6753,-2.3149,4.5187;-.0324,-2.9155,4.69;-.6068,-2.5175,2.6413;-.9036,-3.5753,2.5064;.4354,-2.4446,2.2709;-1.5073,-1.6414,1.7688;-2.5479,-1.6553,2.1413;-1.173,-.5892,1.766;-1.5179,-1.991,.7198;-.8734,-2.772,7.7196;-1.4053,-.6619,6.7564;-2.269,-.0589,6.4554;-2.9885,-1.9662,7.8643;-.4831,.7064,11.8848;.013,1.1711,12.7599;-.8347,-.2989,12.1831;-1.3774,1.2981,11.6236;.4717,.6072,10.6958;.8463,1.6178,10.4381;1.3616,.021,10.9941;-.1396,-.0504,9.4462;-.6033,-1.0124,9.7232;.6555,-.283,8.7199;-1.1755,.833,8.777;-2.2608,1.0839,9.2777;-.7718,1.4878,7.9623;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604920213733</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">0.004578959769 0.000609249176 0.027558732161 0.008703852169</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="126">-0.001524811 0.000082987 0.000128654 0.000176481 0.000265253 0.000285629 0.000397834 0.001155811 0.001437355 0.001577978 0.002021118 0.002633531 0.003224695 0.004102853 0.004158087 0.004807832 0.005506893 0.006411650 0.007115423 0.008345849 0.010923971 0.011591505 0.012392546 0.018254706 0.019538170 0.020819538 0.024624564 0.026918601 0.030786093 0.032014069 0.033103237 0.033953119 0.034356108 0.036318022 0.040441366 0.044599389 0.046449092 0.046708393 0.047843398 0.051163800 0.052076899 0.052268396 0.054658027 0.057867989 0.059232165 0.059563845 0.067269605 0.068542125 0.070857267 0.072425116 0.074295913 0.077061374 0.077467617 0.079485117 0.081709207 0.082725612 0.090056727 0.097338827 0.098814192 0.100166533 0.106256112 0.109194971 0.113163594 0.113291992 0.115366243 0.129628734 0.134968247 0.136173107 0.137878044 0.139132971 0.146696007 0.155549665 0.162309613 0.168839998 0.171861166 0.174431916 0.178606312 0.187865454 0.194671830 0.202240834 0.209298099 0.217848428 0.232413741 0.248264821 0.251891141 0.291127068 0.309500528 0.341416076 0.377859484 0.414944141 0.430285519 0.474592246 0.499291659 0.543573593 0.586843839 0.611717033 0.620905005 0.661032424 0.733390560 0.737053596 0.750308784 0.755017670 0.770415168 0.777682724 0.779983356 0.784402153 0.784837983 0.797467314 0.805409322 0.814243886 0.821224200 0.824193818 0.845692041 0.847342001 0.849283594 0.864213988 0.891948339 0.899401587 0.900573719 0.904006257 0.914460072 0.918268906 0.933589407 0.971259565 1.445052654 1.544470468</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="-3.5311071" y3="-1.75501151" z3="10.77501324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.1783606" y3="-0.82812694" z3="10.28940493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24613248" y3="-1.71569522" z3="11.84284928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63695198" y3="-1.76539162" z3="10.72241923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94118952" y3="-2.98626213" z3="10.09384273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27971977" y3="-3.91037869" z3="10.60503974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83988556" y3="-2.97008216" z3="10.15857859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31252796" y3="-3.1033361" z3="8.61502586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40972699" y3="-3.21888561" z3="8.51834616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82159504" y3="-3.99737105" z3="8.19071136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66131923" y3="-1.86462767" z3="7.43113303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.10881531" y3="-0.51367594" z3="6.00532316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61868036" y3="-1.2155544" z3="6.45470923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.31561127" y3="0.50801841" z3="6.14137318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.16105415" y3="-0.78091497" z3="4.48599553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.84656664" y3="-0.62043165" z3="4.04616016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.82758698" y3="-0.03016626" z3="4.01813395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64391498" y3="-2.18652814" z3="4.12788878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67165366" y3="-2.31351193" z3="4.5139878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.03234504" y3="-2.92398525" z3="4.67890996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.61204091" y3="-2.52152042" z3="2.63230657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.91569186" y3="-3.57730427" z3="2.49822204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.42859971" y3="-2.454547" z3="2.25739061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.51133589" y3="-1.63971649" z3="1.76447441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54985386" y3="-1.64682036" z3="2.14274523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17034283" y3="-0.58993885" z3="1.75991453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.52990017" y3="-1.98914422" z3="0.71563176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86775111" y3="-2.76844794" z3="7.73008392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40756183" y3="-0.67339074" z3="6.73872914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.27033872" y3="-0.06815717" z3="6.44001475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.98692688" y3="-1.96843249" z3="7.86386583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48068148" y3="0.71267394" z3="11.89801826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02224751" y3="1.16635052" z3="12.77571543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.84357721" y3="-0.29169205" z3="12.18949525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.36938344" y3="1.31648939" z3="11.64245361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47186245" y3="0.61081327" z3="10.70785566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.85671181" y3="1.6196748" z3="10.45558528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.356565" y3="0.01384108" z3="11.00151935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14745434" y3="-0.03493114" z3="9.4553059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61675449" y3="-0.99613553" z3="9.7262076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64294196" y3="-0.26793402" z3="8.72415147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17887758" y3="0.85927394" z3="8.79593424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26260979" y3="1.11145375" z3="9.29534027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78317977" y3="1.49884815" z3="7.96656587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5311,-1.755,10.775;-3.1784,-.8281,10.2894;-3.2461,-1.7157,11.8428;-4.637,-1.7654,10.7224;-2.9412,-2.9863,10.0938;-3.2797,-3.9104,10.605;-1.8399,-2.9701,10.1586;-3.3125,-3.1033,8.615;-4.4097,-3.2189,8.5183;-2.8216,-3.9974,8.1907;-1.6613,-1.8646,7.4311;-.1088,-.5137,6.0053;.6187,-1.2156,6.4547;.3156,.508,6.1414;-.1611,-.7809,4.486;.8466,-.6204,4.0462;-.8276,-.0302,4.0181;-.6439,-2.1865,4.1279;-1.6717,-2.3135,4.514;-.0323,-2.924,4.6789;-.612,-2.5215,2.6323;-.9157,-3.5773,2.4982;.4286,-2.4545,2.2574;-1.5113,-1.6397,1.7645;-2.5499,-1.6468,2.1427;-1.1703,-.5899,1.7599;-1.5299,-1.9891,.7156;-.8678,-2.7684,7.7301;-1.4076,-.6734,6.7387;-2.2703,-.0682,6.44;-2.9869,-1.9684,7.8639;-.4807,.7127,11.898;.0222,1.1664,12.7757;-.8436,-.2917,12.1895;-1.3694,1.3165,11.6425;.4719,.6108,10.7079;.8567,1.6197,10.4556;1.3566,.0138,11.0015;-.1475,-.0349,9.4553;-.6168,-.9961,9.7262;.6429,-.2679,8.7242;-1.1789,.8593,8.7959;-2.2626,1.1115,9.2953;-.7832,1.4988,7.9666;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604703640243</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">0.003792356991 0.000660460797 0.020909820322 0.008703742389</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="126">-0.000231286 0.000088533 0.000131588 0.000191679 0.000265180 0.000358613 0.000482692 0.001174489 0.001506679 0.001580153 0.002102940 0.002651329 0.003226687 0.004120907 0.004158036 0.004807870 0.005500096 0.006412709 0.007115478 0.008341159 0.010911882 0.011576043 0.012392172 0.018253749 0.019538276 0.020818731 0.024622840 0.026916420 0.030785047 0.032012818 0.033103392 0.033948779 0.034354722 0.036310738 0.040441334 0.044598867 0.046449082 0.046709794 0.047848415 0.051163469 0.052076443 0.052269237 0.054657765 0.057869416 0.059232385 0.059563459 0.067269459 0.068539945 0.070860699 0.072424367 0.074294323 0.077063341 0.077467364 0.079486871 0.081714124 0.082725456 0.090053263 0.097335703 0.098813777 0.100167126 0.106255185 0.109194815 0.113164752 0.113292435 0.115366297 0.129628331 0.134967064 0.136171675 0.137877088 0.139131562 0.146696552 0.155534299 0.162310861 0.168839470 0.171861550 0.174427952 0.178605937 0.187864512 0.194676912 0.202280291 0.209321114 0.217849010 0.232401956 0.248337085 0.251887070 0.291129630 0.309500276 0.341414765 0.377959099 0.414948309 0.430285520 0.474595653 0.499343737 0.543573653 0.586843563 0.611717162 0.620932876 0.661034201 0.733498623 0.737053459 0.750308785 0.755017457 0.770415568 0.777687802 0.780024402 0.784544830 0.784843387 0.797467434 0.805409279 0.814243722 0.821224775 0.824197442 0.845693821 0.847342106 0.849283791 0.864218296 0.891947919 0.899406581 0.900578045 0.904005887 0.914469172 0.918268545 0.933590650 0.971256724 1.445323277 1.544473220</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="-3.52934427" y3="-1.74753004" z3="10.78537254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18008495" y3="-0.82019758" z3="10.29813065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24163704" y3="-1.70652425" z3="11.85244282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63530332" y3="-1.76014587" z3="10.7357727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93883375" y3="-2.97818303" z3="10.10370849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27447462" y3="-3.90211948" z3="10.6171037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83741775" y3="-2.9603116" z3="10.16549135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31366652" y3="-3.0981973" z3="8.62584673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41107441" y3="-3.2147584" z3="8.53250025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8232966" y3="-3.99309354" z3="8.20288139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.66601657" y3="-1.86559596" z3="7.4294347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.11532468" y3="-0.51787228" z3="5.99620135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61204133" y3="-1.21856316" z3="6.44773409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.30612089" y3="0.50465538" z3="6.1351621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.158906" y3="-0.78272028" z3="4.47578517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.84971114" y3="-0.61463384" z3="4.03979131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.8288327" y3="-0.03573693" z3="4.00615723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63095208" y3="-2.19099037" z3="4.11386047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65652656" y3="-2.32705827" z3="4.50319714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01143522" y3="-2.92560537" z3="4.66040736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.60084304" y3="-2.52020608" z3="2.61685681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.89643049" y3="-3.57807417" z3="2.47967669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.43827223" y3="-2.44335872" z3="2.23872865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.51020557" y3="-1.64189198" z3="1.75547157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54692277" y3="-1.65636986" z3="2.1391596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17579435" y3="-0.58989575" z3="1.75177019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.53183921" y3="-1.98881309" z3="0.70575898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87125358" y3="-2.76714827" z3="7.73290822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41653945" y3="-0.68156085" z3="6.72460012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.27839686" y3="-0.07365605" z3="6.4300219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99018636" y3="-1.96534237" z3="7.87107359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4794385" y3="0.70495303" z3="11.90642307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02080137" y3="1.16108698" z3="12.7790467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.83941963" y3="-0.2947395" z3="12.20334959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.36659704" y3="1.30363744" z3="11.65163451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47024092" y3="0.60150081" z3="10.71368137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86185858" y3="1.60795764" z3="10.4649636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35095202" y3="-0.00319016" z3="11.00195178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15785329" y3="-0.03327278" z3="9.45999428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.63601674" y3="-0.99092125" z3="9.72795108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.62770224" y3="-0.27094554" z3="8.72541294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18242803" y3="0.87178662" z3="8.80631223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26339454" y3="1.13174252" z3="9.30808522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.789376" y3="1.50129085" z3="7.97055861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" 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 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5293,-1.7475,10.7854;-3.1801,-.8202,10.2981;-3.2416,-1.7065,11.8524;-4.6353,-1.7601,10.7358;-2.9388,-2.9782,10.1037;-3.2745,-3.9021,10.6171;-1.8374,-2.9603,10.1655;-3.3137,-3.0982,8.6258;-4.4111,-3.2148,8.5325;-2.8233,-3.9931,8.2029;-1.666,-1.8656,7.4294;-.1153,-.5179,5.9962;.612,-1.2186,6.4477;.3061,.5047,6.1352;-.1589,-.7827,4.4758;.8497,-.6146,4.0398;-.8288,-.0357,4.0062;-.631,-2.191,4.1139;-1.6565,-2.3271,4.5032;-.0114,-2.9256,4.6604;-.6008,-2.5202,2.6169;-.8964,-3.5781,2.4797;.4383,-2.4434,2.2387;-1.5102,-1.6419,1.7555;-2.5469,-1.6564,2.1392;-1.1758,-.5899,1.7518;-1.5318,-1.9888,.7058;-.8713,-2.7671,7.7329;-1.4165,-.6816,6.7246;-2.2784,-.0737,6.43;-2.9902,-1.9653,7.8711;-.4794,.705,11.9064;.0208,1.1611,12.779;-.8394,-.2947,12.2033;-1.3666,1.3036,11.6516;.4702,.6015,10.7137;.8619,1.608,10.465;1.351,-.0032,11.002;-.1579,-.0333,9.46;-.636,-.9909,9.728;.6277,-.2709,8.7254;-1.1824,.8718,8.8063;-2.2634,1.1317,9.3081;-.7894,1.5013,7.9706;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604593692476</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">0.002271487359 0.000458881997 0.023517088185 0.008704213801</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="126">-0.001399807 0.000114598 0.000165688 0.000198860 0.000245693 0.000329280 0.000430203 0.001183246 0.001571110 0.001606676 0.002274988 0.002799552 0.003264464 0.004152292 0.004725344 0.004947867 0.005549096 0.006461889 0.007116024 0.008345106 0.010903370 0.011588491 0.012392761 0.018253727 0.019538205 0.020821889 0.024622384 0.026917191 0.030788167 0.032012255 0.033103455 0.033978400 0.034356204 0.036312981 0.040441286 0.044598749 0.046449798 0.046722309 0.047857586 0.051164756 0.052076137 0.052268908 0.054664501 0.057869110 0.059236098 0.059564153 0.067269417 0.068540691 0.070863821 0.072423085 0.074293291 0.077063541 0.077468817 0.079485908 0.081711532 0.082722731 0.090057957 0.097336027 0.098814150 0.100167446 0.106254939 0.109193599 0.113164055 0.113292362 0.115366361 0.129629844 0.134967572 0.136178708 0.137877245 0.139129722 0.146701490 0.155641166 0.162327637 0.168839823 0.171861053 0.174475134 0.178608961 0.187864432 0.194690172 0.202415295 0.209389427 0.217848082 0.232394425 0.248636425 0.251888109 0.291128491 0.309507377 0.341414568 0.378393258 0.414954266 0.430286474 0.474600177 0.499903259 0.543573363 0.586843781 0.611716935 0.621009190 0.661033922 0.733728259 0.737070800 0.750308751 0.755023746 0.770415534 0.777704359 0.780080270 0.784771766 0.785005582 0.797467399 0.805410249 0.814246261 0.821225418 0.824197930 0.845699447 0.847342068 0.849283709 0.864218160 0.891950860 0.899415269 0.900578878 0.904011008 0.914481339 0.918269280 0.933590386 0.971263225 1.445409635 1.544476753</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="-3.52580554" y3="-1.73673836" z3="10.79084756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17805271" y3="-0.81118531" z3="10.29907197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23360435" y3="-1.69222452" z3="11.85658913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63197698" y3="-1.74963673" z3="10.7460416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93809821" y3="-2.96969053" z3="10.11097897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27267731" y3="-3.89201234" z3="10.62792376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83649285" y3="-2.95253076" z3="10.17005031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31700304" y3="-3.09405633" z3="8.63448136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41487854" y3="-3.20826479" z3="8.5444797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82992705" y3="-3.99143772" z3="8.2131128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67063821" y3="-1.8676426" z3="7.4290237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.12136337" y3="-0.51201364" z3="5.99824165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60935272" y3="-1.21217835" z3="6.44490316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.29722756" y3="0.51123036" z3="6.14002516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.16853264" y3="-0.77222551" z3="4.47782869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.83616257" y3="-0.59249412" z3="4.03758988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.84823458" y3="-0.03096105" z3="4.01331626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6270508" y3="-2.18495963" z3="4.11632148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65232008" y3="-2.32970715" z3="4.50281319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00246284" y3="-2.91262373" z3="4.66583314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.58921001" y3="-2.51576203" z3="2.62029624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.8729134" y3="-3.57687025" z3="2.48311754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.45023625" y3="-2.42781428" z3="2.24574958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.50537813" y3="-1.64742183" z3="1.7564913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54380383" y3="-1.67715176" z3="2.13451676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.1851739" y3="-0.59087421" z3="1.75838107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.51641427" y3="-1.9911954" z3="0.7058022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87751586" y3="-2.77259294" z3="7.72467313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42025808" y3="-0.67944106" z3="6.73034503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.28282195" y3="-0.07118259" z3="6.43897112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99288075" y3="-1.96425765" z3="7.87498948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48460946" y3="0.69566096" z3="11.89419341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02034374" y3="1.13941528" z3="12.77544297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.85818969" y3="-0.30619383" z3="12.17992612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3662363" y3="1.30914245" z3="11.63927181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.46946516" y3="0.59068084" z3="10.70567935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86292193" y3="1.59730778" z3="10.45730851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34884303" y3="-0.01450937" z3="10.99850123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15458395" y3="-0.04565503" z3="9.45113859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.62954209" y3="-1.00431582" z3="9.719996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.63261587" y3="-0.28146141" z3="8.71777603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18089956" y3="0.85617052" z3="8.79549131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26156067" y3="1.11685722" z3="9.29918534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78441961" y3="1.49220454" z3="7.96565525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5258,-1.7367,10.7908;-3.1781,-.8112,10.2991;-3.2336,-1.6922,11.8566;-4.632,-1.7496,10.746;-2.9381,-2.9697,10.111;-3.2727,-3.892,10.6279;-1.8365,-2.9525,10.1701;-3.317,-3.0941,8.6345;-4.4149,-3.2083,8.5445;-2.8299,-3.9914,8.2131;-1.6706,-1.8676,7.429;-.1214,-.512,5.9982;.6094,-1.2122,6.4449;.2972,.5112,6.14;-.1685,-.7722,4.4778;.8362,-.5925,4.0376;-.8482,-.031,4.0133;-.6271,-2.185,4.1163;-1.6523,-2.3297,4.5028;-.0025,-2.9126,4.6658;-.5892,-2.5158,2.6203;-.8729,-3.5769,2.4831;.4502,-2.4278,2.2457;-1.5054,-1.6474,1.7565;-2.5438,-1.6772,2.1345;-1.1852,-.5909,1.7584;-1.5164,-1.9912,.7058;-.8775,-2.7726,7.7247;-1.4203,-.6794,6.7303;-2.2828,-.0712,6.439;-2.9929,-1.9643,7.875;-.4846,.6957,11.8942;.0203,1.1394,12.7754;-.8582,-.3062,12.1799;-1.3662,1.3091,11.6393;.4695,.5907,10.7057;.8629,1.5973,10.4573;1.3488,-.0145,10.9985;-.1546,-.0457,9.4511;-.6295,-1.0043,9.72;.6326,-.2815,8.7178;-1.1809,.8562,8.7955;-2.2616,1.1169,9.2992;-.7844,1.4922,7.9657;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604730158697</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">0.002555542002 0.000473485430 0.026412187906 0.008703427533</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="126">-0.001659073 0.000030608 0.000139549 0.000192867 0.000267325 0.000379123 0.000411654 0.001186750 0.001571236 0.001651564 0.002308753 0.002824472 0.003281831 0.004153028 0.004762471 0.005318717 0.005641387 0.006582714 0.007129393 0.008426148 0.010946271 0.011588735 0.012398022 0.018260221 0.019538167 0.020822221 0.024621553 0.026917687 0.030787753 0.032014840 0.033103552 0.033994400 0.034356058 0.036313394 0.040441335 0.044598537 0.046453472 0.046749846 0.047866320 0.051164604 0.052076541 0.052268728 0.054664361 0.057868952 0.059241458 0.059567671 0.067269560 0.068541529 0.070863871 0.072422570 0.074294199 0.077063898 0.077468910 0.079485844 0.081712361 0.082722217 0.090059074 0.097337482 0.098814324 0.100167862 0.106255006 0.109193096 0.113164553 0.113292571 0.115366374 0.129630219 0.134967612 0.136180716 0.137877200 0.139132355 0.146701796 0.155685427 0.162345463 0.168839706 0.171865640 0.174500670 0.178608872 0.187864827 0.194698870 0.202567578 0.209460249 0.217921215 0.232397157 0.248901359 0.251903296 0.291130126 0.309524254 0.341415867 0.378847951 0.414968780 0.430287555 0.474606680 0.500334113 0.543575702 0.586844099 0.611718072 0.621138657 0.661034946 0.733871097 0.737082898 0.750308834 0.755024592 0.770415721 0.777726632 0.780141226 0.784821000 0.785581539 0.797468142 0.805410696 0.814246071 0.821225837 0.824235621 0.845700361 0.847342409 0.849286138 0.864220861 0.891950952 0.899421059 0.900581176 0.904011150 0.914510202 0.918271728 0.933591313 0.971266641 1.445440006 1.544477494</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="-3.5268842" y3="-1.73796116" z3="10.79461494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18061547" y3="-0.81155754" z3="10.30392604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23493837" y3="-1.69330047" z3="11.86041377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63301538" y3="-1.75174193" z3="10.74970042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93784682" y3="-2.97004" z3="10.11425932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2713142" y3="-3.89239793" z3="10.63189443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83622452" y3="-2.95157847" z3="10.17231712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31710467" y3="-3.09505854" z3="8.63776409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41508052" y3="-3.21066221" z3="8.54874583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82969387" y3="-3.99292988" z3="8.2176195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67113976" y3="-1.87070369" z3="7.42775048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.12374479" y3="-0.52036203" z3="5.98961517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6055766" y3="-1.21991726" z3="6.43966419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.29290536" y3="0.50350224" z3="6.13504072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.16158829" y3="-0.77812542" z3="4.46823644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.84547877" y3="-0.59833861" z3="4.03352491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.83845094" y3="-0.03595561" z3="4.00118107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61979949" y3="-2.18997997" z3="4.10392495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64364514" y3="-2.33541706" z3="4.49378857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00679952" y3="-2.91854977" z3="4.64993306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.58685308" y3="-2.5179038" z3="2.60723253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.87210594" y3="-3.57835827" z3="2.46918076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.45112553" y3="-2.43034753" z3="2.22904613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.50542254" y3="-1.64736232" z3="1.74851131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54198839" y3="-1.67628794" z3="2.13110411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.18397623" y3="-0.59137213" z3="1.750703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.52148812" y3="-1.9894925" z3="0.69737033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87590932" y3="-2.77136798" z3="7.73491283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42673244" y3="-0.69383011" z3="6.7121151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.28856374" y3="-0.08267728" z3="6.42468665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99442509" y3="-1.9661614" z3="7.87743037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47873771" y3="0.69615602" z3="11.90833574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03595759" y3="1.12257013" z3="12.79370845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.86399344" y3="-0.30459713" z3="12.18280782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.35389287" y3="1.32538184" z3="11.66533556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.46964044" y3="0.59257244" z3="10.71480212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86886562" y3="1.59761108" z3="10.47187019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34540206" y3="-0.02059917" z3="10.99986794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.16286091" y3="-0.0315797" z3="9.4582116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.64252884" y3="-0.9892113" z3="9.72166315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.61885386" y3="-0.26722216" z3="8.71904277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18593207" y3="0.88057201" z3="8.81443257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26317159" y3="1.14326941" z3="9.31919616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79929837" y3="1.50070043" z3="7.96689063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5269,-1.738,10.7946;-3.1806,-.8116,10.3039;-3.2349,-1.6933,11.8604;-4.633,-1.7517,10.7497;-2.9378,-2.97,10.1143;-3.2713,-3.8924,10.6319;-1.8362,-2.9516,10.1723;-3.3171,-3.0951,8.6378;-4.4151,-3.2107,8.5487;-2.8297,-3.9929,8.2176;-1.6711,-1.8707,7.4278;-.1237,-.5204,5.9896;.6056,-1.2199,6.4397;.2929,.5035,6.135;-.1616,-.7781,4.4682;.8455,-.5983,4.0335;-.8385,-.036,4.0012;-.6198,-2.19,4.1039;-1.6436,-2.3354,4.4938;.0068,-2.9185,4.6499;-.5869,-2.5179,2.6072;-.8721,-3.5784,2.4692;.4511,-2.4303,2.229;-1.5054,-1.6474,1.7485;-2.542,-1.6763,2.1311;-1.184,-.5914,1.7507;-1.5215,-1.9895,.6974;-.8759,-2.7714,7.7349;-1.4267,-.6938,6.7121;-2.2886,-.0827,6.4247;-2.9944,-1.9662,7.8774;-.4787,.6962,11.9083;.036,1.1226,12.7937;-.864,-.3046,12.1828;-1.3539,1.3254,11.6653;.4696,.5926,10.7148;.8689,1.5976,10.4719;1.3454,-.0206,10.9999;-.1629,-.0316,9.4582;-.6425,-.9892,9.7217;.6189,-.2672,8.719;-1.1859,.8806,8.8144;-2.2632,1.1433,9.3192;-.7993,1.5007,7.9669;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604513877795</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">0.003164689306 0.000654498904 0.024198548185 0.008703461902</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="126">-0.000025710 0.000095173 0.000147300 0.000215423 0.000279739 0.000389090 0.000684803 0.001191278 0.001571154 0.001675849 0.002309997 0.002823993 0.003283333 0.004153397 0.004762507 0.005356630 0.005674125 0.006646979 0.007131362 0.008464147 0.010962576 0.011589484 0.012404070 0.018268320 0.019538719 0.020823497 0.024625753 0.026917117 0.030793329 0.032014469 0.033103730 0.034010264 0.034356221 0.036313199 0.040441507 0.044604319 0.046453642 0.046744860 0.047872664 0.051168885 0.052076273 0.052269938 0.054668403 0.057871024 0.059239892 0.059566214 0.067269659 0.068546535 0.070864287 0.072422571 0.074292784 0.077069972 0.077469745 0.079485651 0.081710675 0.082725101 0.090088462 0.097341167 0.098816833 0.100170693 0.106255898 0.109193737 0.113164668 0.113292634 0.115366472 0.129630752 0.134970342 0.136184758 0.137879981 0.139141090 0.146705716 0.155759731 0.162354801 0.168840264 0.171866086 0.174529146 0.178613303 0.187864465 0.194707278 0.202592673 0.209463385 0.217924824 0.232438331 0.248990422 0.251900937 0.291130085 0.309523833 0.341414702 0.379145307 0.414974633 0.430287774 0.474612844 0.500749478 0.543578367 0.586843929 0.611718439 0.621166717 0.661036504 0.734174843 0.737099055 0.750308822 0.755024511 0.770415731 0.777733955 0.780178755 0.784823014 0.785835500 0.797468148 0.805410714 0.814246037 0.821225996 0.824235682 0.845724181 0.847342383 0.849286200 0.864220112 0.891951873 0.899434976 0.900581552 0.904011039 0.914512005 0.918271949 0.933591548 0.971261867 1.445604066 1.544476929</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="-3.52718317" y3="-1.72928169" z3="10.79610246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18022236" y3="-0.80421158" z3="10.30300518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23464801" y3="-1.68304735" z3="11.86165637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63334218" y3="-1.74296898" z3="10.75186591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93888353" y3="-2.96281931" z3="10.11763106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27206733" y3="-3.88456655" z3="10.63651123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83721936" y3="-2.9444601" z3="10.17577064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31901284" y3="-3.09019068" z3="8.64167495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4169757" y3="-3.20568264" z3="8.55319581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83120209" y3="-3.98791344" z3="8.22160544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67553765" y3="-1.86638897" z3="7.42952663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.12873663" y3="-0.51056311" z3="5.99583911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60319112" y3="-1.20931078" z3="6.44320242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.28758248" y3="0.51354503" z3="6.13842958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.17293851" y3="-0.7696933" z3="4.47515124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.83082773" y3="-0.58139668" z3="4.03628777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.85826968" y3="-0.03332404" z3="4.01084781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61918755" y3="-2.18580197" z3="4.11117037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64308997" y3="-2.34075327" z3="4.49800803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01251143" y3="-2.90896262" z3="4.65879716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.57841963" y3="-2.51392572" z3="2.61443809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.85224804" y3="-3.57749578" z3="2.4756981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.46019681" y3="-2.41588248" z3="2.23996948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.50246936" y3="-1.65326277" z3="1.7514088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54087377" y3="-1.6939342" z3="2.12840129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19262942" y3="-0.59362446" z3="1.75524294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.50926605" y3="-1.99557247" z3="0.70008724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88149859" y3="-2.77043466" z3="7.72664126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42765009" y3="-0.68093228" z3="6.72645847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.29036719" y3="-0.07134091" z3="6.4383582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.9967679" y3="-1.96157339" z3="7.87979764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48107403" y3="0.68506159" z3="11.89635512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02362751" y3="1.12196461" z3="12.77806788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.85725241" y3="-0.31442706" z3="12.17746107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.35917339" y3="1.3011833" z3="11.64603771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47088109" y3="0.58284828" z3="10.70537202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86662999" y3="1.58889336" z3="10.46133573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.3484737" y3="-0.02670423" z3="10.99351969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15649797" y3="-0.0455878" z3="9.448256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.63267277" y3="-1.00496254" z3="9.71262949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.62908921" y3="-0.27937615" z3="8.71252295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18281917" y3="0.86043516" z3="8.79832965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26109361" y3="1.12196205" z3="9.30524425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79008292" y3="1.4938679" z3="7.96446059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5272,-1.7293,10.7961;-3.1802,-.8042,10.303;-3.2346,-1.683,11.8617;-4.6333,-1.743,10.7519;-2.9389,-2.9628,10.1176;-3.2721,-3.8846,10.6365;-1.8372,-2.9445,10.1758;-3.319,-3.0902,8.6417;-4.417,-3.2057,8.5532;-2.8312,-3.9879,8.2216;-1.6755,-1.8664,7.4295;-.1287,-.5106,5.9958;.6032,-1.2093,6.4432;.2876,.5135,6.1384;-.1729,-.7697,4.4752;.8308,-.5814,4.0363;-.8583,-.0333,4.0108;-.6192,-2.1858,4.1112;-1.6431,-2.3408,4.498;.0125,-2.909,4.6588;-.5784,-2.5139,2.6144;-.8522,-3.5775,2.4757;.4602,-2.4159,2.24;-1.5025,-1.6533,1.7514;-2.5409,-1.6939,2.1284;-1.1926,-.5936,1.7552;-1.5093,-1.9956,.7001;-.8815,-2.7704,7.7266;-1.4277,-.6809,6.7265;-2.2904,-.0713,6.4384;-2.9968,-1.9616,7.8798;-.4811,.6851,11.8964;.0236,1.122,12.7781;-.8573,-.3144,12.1775;-1.3592,1.3012,11.646;.4709,.5828,10.7054;.8666,1.5889,10.4613;1.3485,-.0267,10.9935;-.1565,-.0456,9.4483;-.6327,-1.005,9.7126;.6291,-.2794,8.7125;-1.1828,.8604,8.7983;-2.2611,1.122,9.3052;-.7901,1.4939,7.9645;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604709568642</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">0.001679312305 0.000230908950 0.028834544058 0.008704321218</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="126">-0.000635130 0.000128786 0.000149353 0.000237694 0.000282638 0.000403372 0.000641509 0.001187605 0.001571278 0.001679453 0.002333624 0.002853051 0.003296964 0.004153595 0.004764813 0.005399671 0.005867726 0.006829112 0.007159343 0.008576111 0.011025546 0.011589538 0.012419830 0.018299346 0.019540015 0.020824254 0.024626002 0.026926459 0.030794208 0.032015466 0.033103940 0.034042076 0.034356064 0.036313178 0.040441671 0.044604561 0.046456036 0.046768994 0.047892866 0.051169819 0.052077266 0.052269666 0.054670003 0.057873970 0.059251479 0.059575891 0.067269693 0.068544557 0.070864179 0.072422734 0.074299512 0.077070766 0.077470797 0.079490579 0.081729200 0.082728256 0.090088904 0.097345889 0.098816846 0.100170633 0.106256093 0.109193225 0.113172444 0.113292921 0.115366561 0.129631326 0.134970788 0.136184444 0.137879916 0.139143109 0.146707264 0.155784833 0.162371347 0.168840105 0.171864520 0.174547361 0.178613377 0.187865296 0.194711018 0.202694794 0.209514859 0.217915368 0.232446066 0.249076354 0.251903310 0.291144403 0.309530467 0.341416548 0.379333439 0.414989267 0.430288211 0.474619240 0.501017200 0.543578440 0.586844474 0.611723179 0.621258749 0.661037463 0.734210003 0.737099001 0.750308828 0.755025862 0.770415831 0.777735286 0.780197422 0.784826143 0.786087963 0.797468860 0.805411190 0.814247150 0.821226987 0.824240754 0.845724705 0.847342397 0.849286416 0.864245611 0.891952949 0.899435422 0.900590444 0.904012127 0.914515047 0.918273517 0.933591747 0.971267094 1.445745734 1.544477766</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="-3.52489013" y3="-1.72800334" z3="10.79292394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17711997" y3="-0.80426845" z3="10.2974594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23066982" y3="-1.68084939" z3="11.85798732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63117276" y3="-1.74073634" z3="10.7503066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93883199" y3="-2.9630475" z3="10.11534159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27300256" y3="-3.88426203" z3="10.63453516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83708569" y3="-2.94622837" z3="10.17348577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31974475" y3="-3.09046495" z3="8.6397022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41778875" y3="-3.20349201" z3="8.55120549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8338059" y3="-3.98871963" z3="8.21893691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67500156" y3="-1.86678037" z3="7.43017189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.12571483" y3="-0.50471374" z3="6.00466244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60736361" y3="-1.20480153" z3="6.44775005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.29252036" y3="0.51861155" z3="6.14594397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.17885199" y3="-0.76360538" z3="4.48460722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.82238533" y3="-0.5753516" z3="4.04020426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.86667282" y3="-0.02729314" z3="4.02418886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62676447" y3="-2.17973013" z3="4.12309433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6520201" y3="-2.33255411" z3="4.50662386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00181856" y3="-2.90242831" z3="4.6744899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.58145862" y3="-2.51077957" z3="2.6272296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.85579303" y3="-3.57407384" z3="2.48929047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.45848793" y3="-2.41440639" z3="2.25668239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.5010911" y3="-1.65049393" z3="1.75949277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54117006" y3="-1.69066622" z3="2.13151661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.1909896" y3="-0.59114243" z3="1.76441373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.50294052" y3="-1.99325805" z3="0.7082867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88374863" y3="-2.77594098" z3="7.71625197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42143582" y3="-0.67152924" z3="6.74234951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.28435299" y3="-0.06276126" z3="6.45290393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99553476" y3="-1.96207059" z3="7.87768728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48808233" y3="0.68713436" z3="11.88083829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01032263" y3="1.13654173" z3="12.76136258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.85656894" y3="-0.31405288" z3="12.16940977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37137089" y3="1.29383074" z3="11.62079753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.46976906" y3="0.58270492" z3="10.69493624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.85767469" y3="1.58980003" z3="10.44341229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35144746" y3="-0.01623641" z3="10.99196705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14791664" y3="-0.06043617" z3="9.44123215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61862172" y3="-1.02066794" z3="9.71195603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64308539" y3="-0.29434306" z3="8.71110595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17751617" y3="0.83541596" z3="8.78081201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25988627" y3="1.0931275" z3="9.28414036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77562063" y3="1.4824098" z3="7.96067646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5249,-1.728,10.7929;-3.1771,-.8043,10.2975;-3.2307,-1.6808,11.858;-4.6312,-1.7407,10.7503;-2.9388,-2.963,10.1153;-3.273,-3.8843,10.6345;-1.8371,-2.9462,10.1735;-3.3197,-3.0905,8.6397;-4.4178,-3.2035,8.5512;-2.8338,-3.9887,8.2189;-1.675,-1.8668,7.4302;-.1257,-.5047,6.0047;.6074,-1.2048,6.4478;.2925,.5186,6.1459;-.1789,-.7636,4.4846;.8224,-.5754,4.0402;-.8667,-.0273,4.0242;-.6268,-2.1797,4.1231;-1.652,-2.3326,4.5066;.0018,-2.9024,4.6745;-.5815,-2.5108,2.6272;-.8558,-3.5741,2.4893;.4585,-2.4144,2.2567;-1.5011,-1.6505,1.7595;-2.5412,-1.6907,2.1315;-1.191,-.5911,1.7644;-1.5029,-1.9933,.7083;-.8837,-2.7759,7.7163;-1.4214,-.6715,6.7423;-2.2844,-.0628,6.4529;-2.9955,-1.9621,7.8777;-.4881,.6871,11.8808;.0103,1.1365,12.7614;-.8566,-.3141,12.1694;-1.3714,1.2938,11.6208;.4698,.5827,10.6949;.8577,1.5898,10.4434;1.3514,-.0162,10.992;-.1479,-.0604,9.4412;-.6186,-1.0207,9.712;.6431,-.2943,8.7111;-1.1775,.8354,8.7808;-2.2599,1.0931,9.2841;-.7756,1.4824,7.9607;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604905564594</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">0.001420294641 0.000289630160 0.029893645663 0.008704259665</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="126">-0.000356963 0.000009388 0.000165718 0.000187124 0.000300439 0.000367422 0.000472227 0.001181706 0.001572385 0.001678610 0.002341496 0.002867714 0.003299738 0.004153495 0.004767161 0.005395870 0.005848416 0.006792239 0.007153778 0.008547082 0.011007321 0.011589625 0.012416721 0.018296286 0.019543008 0.020825267 0.024629661 0.026925167 0.030798923 0.032016264 0.033103884 0.034037346 0.034356145 0.036313215 0.040441822 0.044608403 0.046457257 0.046769989 0.047889460 0.051171335 0.052077949 0.052270931 0.054672224 0.057874987 0.059250200 0.059575444 0.067270068 0.068544154 0.070865002 0.072423023 0.074301929 0.077078587 0.077471466 0.079490371 0.081728725 0.082731000 0.090107329 0.097348896 0.098818887 0.100173565 0.106256221 0.109193724 0.113172501 0.113292891 0.115366650 0.129631390 0.134971826 0.136184236 0.137880644 0.139153034 0.146709591 0.155774410 0.162367937 0.168840445 0.171864869 0.174543473 0.178614748 0.187865784 0.194708773 0.202673440 0.209513299 0.217942250 0.232462526 0.249063095 0.251906361 0.291145151 0.309530333 0.341417998 0.379266185 0.414986747 0.430288250 0.474617876 0.500947032 0.543577192 0.586844580 0.611722697 0.621253914 0.661037837 0.734173871 0.737096985 0.750308971 0.755025988 0.770415789 0.777734967 0.780193130 0.784825259 0.786062829 0.797468825 0.805411231 0.814247207 0.821227076 0.824246009 0.845723753 0.847342440 0.849286551 0.864246607 0.891953378 0.899435650 0.900590878 0.904012531 0.914516240 0.918274074 0.933591934 0.971271233 1.445721480 1.544478321</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="-3.5276042" y3="-1.71906703" z3="10.79391512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.17913178" y3="-0.79575258" z3="10.29797553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2348173" y3="-1.67086853" z3="11.85927849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63380091" y3="-1.73256872" z3="10.74993356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94001239" y3="-2.954547" z3="10.11831232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27315018" y3="-3.87547394" z3="10.63862429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8383193" y3="-2.93655386" z3="10.17727716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32050211" y3="-3.08506912" z3="8.64291518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41832866" y3="-3.19949151" z3="8.55447958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83314573" y3="-3.98306109" z3="8.22331505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.67883751" y3="-1.86165382" z3="7.42956613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.13233621" y3="-0.49280317" z3="6.00564249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60502706" y3="-1.18965734" z3="6.44685339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.28187229" y3="0.53225069" z3="6.1449076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.18840905" y3="-0.75387221" z3="4.48626304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.80937988" y3="-0.55594615" z3="4.03847074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.88524461" y3="-0.0252179" z3="4.02691988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62183045" y3="-2.17539564" z3="4.12800563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64600838" y3="-2.33791788" z3="4.51040202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01353197" y3="-2.88994736" z3="4.68222568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.57076416" y3="-2.50964229" z3="2.6331689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.82993691" y3="-3.5773001" z3="2.49742207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.46848595" y3="-2.39930377" z3="2.26371586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.50172301" y3="-1.66396087" z3="1.76254742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54233348" y3="-1.72055986" z3="2.13179895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20820456" y3="-0.59953921" z3="1.7680511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.49535558" y3="-2.00697514" z3="0.71144003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88757417" y3="-2.77219184" z3="7.70858766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42491716" y3="-0.66107304" z3="6.74928126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.28898176" y3="-0.05354831" z3="6.46130744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99750838" y3="-1.95716359" z3="7.8790465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48957709" y3="0.67189316" z3="11.87335757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00824139" y3="1.11025908" z3="12.75985001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.86767321" y3="-0.32936499" z3="12.15163806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.366926" y3="1.28671613" z3="11.6132785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47248615" y3="0.57027863" z3="10.6909446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86455015" y3="1.57823706" z3="10.4452531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35184002" y3="-0.03285863" z3="10.98926252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14193717" y3="-0.06748718" z3="9.43248988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60896197" y3="-1.03096316" z3="9.69849606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65140962" y3="-0.29533229" z3="8.70295413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17440198" y3="0.82624173" z3="8.77196819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25608882" y3="1.08389175" z3="9.28041475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77084208" y3="1.4817482" z3="7.96081539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5276,-1.7191,10.7939;-3.1791,-.7958,10.298;-3.2348,-1.6709,11.8593;-4.6338,-1.7326,10.7499;-2.94,-2.9545,10.1183;-3.2732,-3.8755,10.6386;-1.8383,-2.9366,10.1773;-3.3205,-3.0851,8.6429;-4.4183,-3.1995,8.5545;-2.8331,-3.9831,8.2233;-1.6788,-1.8617,7.4296;-.1323,-.4928,6.0056;.605,-1.1897,6.4469;.2819,.5323,6.1449;-.1884,-.7539,4.4863;.8094,-.5559,4.0385;-.8852,-.0252,4.0269;-.6218,-2.1754,4.128;-1.646,-2.3379,4.5104;.0135,-2.8899,4.6822;-.5708,-2.5096,2.6332;-.8299,-3.5773,2.4974;.4685,-2.3993,2.2637;-1.5017,-1.664,1.7625;-2.5423,-1.7206,2.1318;-1.2082,-.5995,1.7681;-1.4954,-2.007,.7114;-.8876,-2.7722,7.7086;-1.4249,-.6611,6.7493;-2.289,-.0535,6.4613;-2.9975,-1.9572,7.879;-.4896,.6719,11.8734;.0082,1.1103,12.7599;-.8677,-.3294,12.1516;-1.3669,1.2867,11.6133;.4725,.5703,10.6909;.8646,1.5782,10.4453;1.3518,-.0329,10.9893;-.1419,-.0675,9.4325;-.609,-1.031,9.6985;.6514,-.2953,8.703;-1.1744,.8262,8.772;-2.2561,1.0839,9.2804;-.7708,1.4817,7.9608;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604989311286</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">0.001869912450 0.000316542657 0.026720518952 0.008703614412</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="126">-0.000248563 -0.000017339 0.000160799 0.000231228 0.000302100 0.000464681 0.000563005 0.001182998 0.001573977 0.001702980 0.002353829 0.002883867 0.003310297 0.004156836 0.004769021 0.005399014 0.005849786 0.006792174 0.007155324 0.008546996 0.011007358 0.011596514 0.012417240 0.018298542 0.019547663 0.020826197 0.024629071 0.026926108 0.030799456 0.032019219 0.033103761 0.034042792 0.034356081 0.036315455 0.040441963 0.044607418 0.046457329 0.046772111 0.047887632 0.051171317 0.052078003 0.052269887 0.054673485 0.057874305 0.059250325 0.059575421 0.067270033 0.068540766 0.070864397 0.072423013 0.074304862 0.077079182 0.077471005 0.079490385 0.081728736 0.082731013 0.090111165 0.097353749 0.098818936 0.100173328 0.106256174 0.109192660 0.113177185 0.113292896 0.115366609 0.129632254 0.134972312 0.136184788 0.137881867 0.139168066 0.146710142 0.155774825 0.162369115 0.168840024 0.171864178 0.174544355 0.178614477 0.187866813 0.194711259 0.202682027 0.209515074 0.218008517 0.232458353 0.249083316 0.251918342 0.291156093 0.309540990 0.341419379 0.379290814 0.414991830 0.430290841 0.474620405 0.500944874 0.543577925 0.586845135 0.611722698 0.621279320 0.661038418 0.734172680 0.737097219 0.750309076 0.755027848 0.770415717 0.777737935 0.780196410 0.784829552 0.786191510 0.797468921 0.805412461 0.814250661 0.821227581 0.824321924 0.845739808 0.847342445 0.849290424 0.864262087 0.891953552 0.899435909 0.900591301 0.904012795 0.914530609 0.918275654 0.933592484 0.971273371 1.445839048 1.544493299</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="-3.52735944" y3="-1.71474814" z3="10.80178339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18084307" y3="-0.79076942" z3="10.30596549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.23459981" y3="-1.66556906" z3="11.86716498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63356882" y3="-1.73012313" z3="10.75792894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93767786" y3="-2.94933407" z3="10.12643876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2679222" y3="-3.87029558" z3="10.64867148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83588032" y3="-2.92865254" z3="10.18362066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32002389" y3="-3.0825894" z3="8.65156967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41789256" y3="-3.20009467" z3="8.56546259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83140222" y3="-3.98049013" z3="8.23325146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68295632" y3="-1.86102582" z3="7.42802535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.14069224" y3="-0.49433962" z3="5.99684985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59736992" y3="-1.18857406" z3="6.44099509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.26979518" y3="0.5321802" z3="6.13761895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.18921295" y3="-0.75486318" z3="4.47698781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.8092967" y3="-0.5516031" z3="4.03312892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.8878587" y3="-0.0294545" z3="4.0155547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61435093" y3="-2.17818565" z3="4.1166146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63731382" y3="-2.34680168" z3="4.49934178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02518598" y3="-2.88972998" z3="4.66963604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.56154927" y3="-2.51061303" z3="2.62135886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.81511616" y3="-3.57916322" z3="2.48451548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.47665266" y3="-2.39462626" z3="2.25179458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49672366" y3="-1.66955675" z3="1.75173258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53653323" y3="-1.73184386" z3="2.12106508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20895584" y3="-0.60396432" z3="1.75814204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.48868946" y3="-2.01172047" z3="0.70039956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88915907" y3="-2.76818948" z3="7.71282857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43529224" y3="-0.66866943" z3="6.73457826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.29960967" y3="-0.0589269" z3="6.45162004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00091082" y3="-1.9556307" z3="7.8853759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48596419" y3="0.66499047" z3="11.88245041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02165731" y3="1.08353856" z3="12.77284791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.8802131" y3="-0.3327405" z3="12.14893081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.353738" y3="1.29836637" z3="11.63373171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47262838" y3="0.56186861" z3="10.69721278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.87462697" y3="1.5668037" z3="10.45806184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34579211" y3="-0.0521306" z3="10.98905493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14981613" y3="-0.06086822" z3="9.43576536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.62243284" y3="-1.0235454" z3="9.69449279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.63916401" y3="-0.28814091" z3="8.70145332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17843367" y3="0.84455508" z3="8.786901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25595426" y3="1.10627988" z3="9.29838639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7818842" y3="1.4883782" z3="7.96306215">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5274,-1.7147,10.8018;-3.1808,-.7908,10.306;-3.2346,-1.6656,11.8672;-4.6336,-1.7301,10.7579;-2.9377,-2.9493,10.1264;-3.2679,-3.8703,10.6487;-1.8359,-2.9287,10.1836;-3.32,-3.0826,8.6516;-4.4179,-3.2001,8.5655;-2.8314,-3.9805,8.2333;-1.683,-1.861,7.428;-.1407,-.4943,5.9968;.5974,-1.1886,6.441;.2698,.5322,6.1376;-.1892,-.7549,4.477;.8093,-.5516,4.0331;-.8879,-.0295,4.0156;-.6144,-2.1782,4.1166;-1.6373,-2.3468,4.4993;.0252,-2.8897,4.6696;-.5615,-2.5106,2.6214;-.8151,-3.5792,2.4845;.4767,-2.3946,2.2518;-1.4967,-1.6696,1.7517;-2.5365,-1.7318,2.1211;-1.209,-.604,1.7581;-1.4887,-2.0117,.7004;-.8892,-2.7682,7.7128;-1.4353,-.6687,6.7346;-2.2996,-.0589,6.4516;-3.0009,-1.9556,7.8854;-.486,.665,11.8825;.0217,1.0835,12.7728;-.8802,-.3327,12.1489;-1.3537,1.2984,11.6337;.4726,.5619,10.6972;.8746,1.5668,10.4581;1.3458,-.0521,10.9891;-.1498,-.0609,9.4358;-.6224,-1.0235,9.6945;.6392,-.2881,8.7015;-1.1784,.8446,8.7869;-2.256,1.1063,9.2984;-.7819,1.4884,7.9631;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604839802894</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">0.001772104659 0.000252573179 0.024626441060 0.008703691495</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="126">-0.000224670 -0.000018609 0.000172278 0.000245261 0.000301846 0.000465498 0.000567654 0.001189147 0.001574635 0.001702068 0.002355151 0.002892709 0.003314093 0.004158514 0.004769643 0.005399391 0.005862983 0.006808261 0.007155422 0.008548572 0.011006472 0.011598721 0.012418390 0.018299677 0.019553711 0.020826317 0.024628661 0.026925813 0.030799632 0.032020389 0.033103828 0.034044333 0.034357056 0.036316276 0.040442329 0.044608423 0.046457663 0.046771611 0.047886610 0.051170868 0.052077985 0.052268642 0.054673491 0.057876698 0.059249703 0.059576317 0.067269962 0.068540963 0.070864110 0.072422482 0.074303395 0.077077847 0.077470759 0.079490099 0.081728201 0.082729558 0.090111120 0.097353054 0.098818944 0.100173489 0.106256034 0.109192416 0.113182251 0.113293057 0.115366539 0.129632703 0.134972301 0.136184681 0.137881507 0.139167293 0.146710080 0.155774691 0.162369646 0.168839757 0.171863532 0.174546461 0.178614439 0.187866598 0.194711779 0.202674493 0.209507989 0.218002114 0.232461167 0.249049999 0.251914101 0.291155838 0.309539156 0.341418862 0.379281704 0.414991295 0.430290705 0.474620428 0.500973885 0.543578074 0.586845157 0.611722606 0.621282292 0.661038519 0.734171871 0.737097301 0.750309365 0.755027626 0.770415649 0.777738409 0.780196342 0.784829139 0.786185885 0.797469080 0.805412381 0.814250275 0.821227518 0.824318048 0.845739921 0.847342402 0.849290947 0.864262894 0.891953172 0.899435065 0.900591057 0.904012981 0.914528776 0.918274898 0.933592836 0.971274484 1.445840676 1.544496283</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="-3.53086556" y3="-1.7105267" z3="10.80584553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18507671" y3="-0.78612666" z3="10.31085446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24052019" y3="-1.66028314" z3="11.87183347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63689952" y3="-1.72734802" z3="10.75968974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93798951" y3="-2.94443295" z3="10.13205494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26694511" y3="-3.8652098" z3="10.65528446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83636241" y3="-2.9215822" z3="10.19002257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3187801" y3="-3.08032308" z3="8.65692196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41634819" y3="-3.20140207" z3="8.57076283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82735251" y3="-3.97786031" z3="8.24091089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68424225" y3="-1.85988455" z3="7.42793798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.14563624" y3="-0.4967128" z3="5.98899352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59243573" y3="-1.18906572" z3="6.43619361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.26205336" y3="0.5308996" z3="6.13135177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.18704211" y3="-0.75647447" z3="4.46865987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.81181762" y3="-0.54764366" z3="4.02803836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.88826267" y3="-0.03448894" z3="4.00575493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60355985" y3="-2.18182518" z3="4.10620485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6243162" y3="-2.35826935" z3="4.49227829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04299191" y3="-2.89065972" z3="4.65540381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.55258802" y3="-2.50984692" z3="2.60987783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.79471937" y3="-3.58146126" z3="2.47149239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.48350185" y3="-2.38101499" z3="2.23631435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.50114591" y3="-1.67654826" z3="1.74578641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53964981" y3="-1.75310245" z3="2.11830929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.22651763" y3="-0.60684707" z3="1.75460699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.49193488" y3="-2.01496212" z3="0.69324976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8876175" y3="-2.76277225" z3="7.72294104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44290804" y3="-0.67643192" z3="6.71989575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.30697137" y3="-0.06456856" z3="6.44119592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00245509" y3="-1.95428135" z3="7.88915821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48298568" y3="0.65936224" z3="11.8912757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02874652" y3="1.06360379" z3="12.78463743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89083626" y3="-0.33455559" z3="12.1492064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3415882" y3="1.30540186" z3="11.64800155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47475921" y3="0.55314548" z3="10.70564808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.89149644" y3="1.55491711" z3="10.47538978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33926215" y3="-0.07675704" z3="10.99245522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15527815" y3="-0.05221615" z3="9.43871659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.63245687" y3="-1.01509197" z3="9.68812229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.62969484" y3="-0.27717677" z3="8.69953354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17983237" y3="0.8646017" z3="8.80178393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25393196" y3="1.12896402" z3="9.31530654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79150517" y3="1.4962455" z3="7.96447003">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5309,-1.7105,10.8058;-3.1851,-.7861,10.3109;-3.2405,-1.6603,11.8718;-4.6369,-1.7273,10.7597;-2.938,-2.9444,10.1321;-3.2669,-3.8652,10.6553;-1.8364,-2.9216,10.19;-3.3188,-3.0803,8.6569;-4.4163,-3.2014,8.5708;-2.8274,-3.9779,8.2409;-1.6842,-1.8599,7.4279;-.1456,-.4967,5.989;.5924,-1.1891,6.4362;.2621,.5309,6.1314;-.187,-.7565,4.4687;.8118,-.5476,4.028;-.8883,-.0345,4.0058;-.6036,-2.1818,4.1062;-1.6243,-2.3583,4.4923;.043,-2.8907,4.6554;-.5526,-2.5098,2.6099;-.7947,-3.5815,2.4715;.4835,-2.381,2.2363;-1.5011,-1.6765,1.7458;-2.5396,-1.7531,2.1183;-1.2265,-.6068,1.7546;-1.4919,-2.015,.6932;-.8876,-2.7628,7.7229;-1.4429,-.6764,6.7199;-2.307,-.0646,6.4412;-3.0025,-1.9543,7.8892;-.483,.6594,11.8913;.0287,1.0636,12.7846;-.8908,-.3346,12.1492;-1.3416,1.3054,11.648;.4748,.5531,10.7056;.8915,1.5549,10.4754;1.3393,-.0768,10.9925;-.1553,-.0522,9.4387;-.6325,-1.0151,9.6881;.6297,-.2772,8.6995;-1.1798,.8646,8.8018;-2.2539,1.129,9.3153;-.7915,1.4962,7.9645;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604696226112</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">0.001239409958 0.000300698262 0.039212875117 0.008704214612</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="126">-0.000324937 0.000012881 0.000172371 0.000301165 0.000322159 0.000465470 0.000523425 0.001203390 0.001575296 0.001706012 0.002369797 0.002924033 0.003321444 0.004161654 0.004773655 0.005400921 0.005875643 0.006849616 0.007156980 0.008554200 0.011010736 0.011600810 0.012426003 0.018305604 0.019569098 0.020826481 0.024628544 0.026925527 0.030800764 0.032021739 0.033104335 0.034044817 0.034359226 0.036316021 0.040442398 0.044608333 0.046457617 0.046770419 0.047886158 0.051170479 0.052079097 0.052267453 0.054673514 0.057883808 0.059249759 0.059579294 0.067269871 0.068544340 0.070863549 0.072423375 0.074302343 0.077075985 0.077471386 0.079489965 0.081725821 0.082729883 0.090113211 0.097352798 0.098819161 0.100173884 0.106256082 0.109195778 0.113192057 0.113292932 0.115366538 0.129633337 0.134974239 0.136184886 0.137882149 0.139165640 0.146712818 0.155774240 0.162372947 0.168839895 0.171863720 0.174588408 0.178615053 0.187868309 0.194724378 0.202672212 0.209504654 0.218038452 0.232505686 0.249019865 0.251915801 0.291173015 0.309538680 0.341433985 0.379279685 0.414993675 0.430292013 0.474620532 0.501072751 0.543577802 0.586845112 0.611722524 0.621323075 0.661040629 0.734176333 0.737097251 0.750309758 0.755027508 0.770417526 0.777749444 0.780208909 0.784838605 0.786177800 0.797469459 0.805412468 0.814250884 0.821228445 0.824328895 0.845749271 0.847342507 0.849301849 0.864293651 0.891955265 0.899433736 0.900598578 0.904016642 0.914534550 0.918276090 0.933593883 0.971287631 1.445882569 1.544498259</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="-3.53379473" y3="-1.7003868" z3="10.80838482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18719453" y3="-0.77615981" z3="10.31353439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24625584" y3="-1.64915312" z3="11.8750942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63971491" y3="-1.71841089" z3="10.75940012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93799659" y3="-2.93416145" z3="10.1369378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26490571" y3="-3.85485365" z3="10.66173314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83635781" y3="-2.90869301" z3="10.19558137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31838225" y3="-3.07376415" z3="8.6619888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41570873" y3="-3.19781064" z3="8.57628731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82471378" y3="-3.97069788" z3="8.24751074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68830793" y3="-1.85354771" z3="7.42607678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.15369458" y3="-0.48623984" z3="5.98566103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58841112" y3="-1.17406877" z3="6.43344448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.24903675" y3="0.54369677" z3="6.12527152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.19519975" y3="-0.7498502" z3="4.46600948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.80138761" y3="-0.53353516" z3="4.02377535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.90319485" y3="-0.03486642" z3="4.00209699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59972402" y3="-2.17966447" z3="4.10764495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61926278" y3="-2.36310181" z3="4.49281319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05184324" y3="-2.88099672" z3="4.66008742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.54456653" y3="-2.51278148" z3="2.61265848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.77876297" y3="-3.58572346" z3="2.47749618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.49026892" y3="-2.37824" z3="2.2407229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49711693" y3="-1.6904884" z3="1.74406636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53489074" y3="-1.77358263" z3="2.11421502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23066751" y3="-0.61963655" z3="1.75066352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.48341371" y3="-2.03204497" z3="0.69255562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89064089" y3="-2.75635393" z3="7.7169287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44899517" y3="-0.66917243" z3="6.71932263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3142212" y3="-0.05733036" z3="6.44385091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00487189" y3="-1.9481778" z3="7.89215262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48321002" y3="0.63379411" z3="11.89165049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02786512" y3="1.02439092" z3="12.79297637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89088173" y3="-0.36343055" z3="12.13476864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34070505" y3="1.28505815" z3="11.65684949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47481604" y3="0.54430175" z3="10.70452576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.88383128" y3="1.54905058" z3="10.48324531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34157511" y3="-0.08090457" z3="10.98621829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14911427" y3="-0.05204783" z3="9.43136323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.62115612" y3="-1.01988276" z3="9.6709098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.63803361" y3="-0.26583033" z3="8.69115679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17699039" y3="0.865432" z3="8.80046981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24863326" y3="1.12909117" z3="9.32003551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79218339" y3="1.50016242" z3="7.96423656">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5338,-1.7004,10.8084;-3.1872,-.7762,10.3135;-3.2463,-1.6492,11.8751;-4.6397,-1.7184,10.7594;-2.938,-2.9342,10.1369;-3.2649,-3.8549,10.6617;-1.8364,-2.9087,10.1956;-3.3184,-3.0738,8.662;-4.4157,-3.1978,8.5763;-2.8247,-3.9707,8.2475;-1.6883,-1.8535,7.4261;-.1537,-.4862,5.9857;.5884,-1.1741,6.4334;.249,.5437,6.1253;-.1952,-.7499,4.466;.8014,-.5335,4.0238;-.9032,-.0349,4.0021;-.5997,-2.1797,4.1076;-1.6193,-2.3631,4.4928;.0518,-2.881,4.6601;-.5446,-2.5128,2.6127;-.7788,-3.5857,2.4775;.4903,-2.3782,2.2407;-1.4971,-1.6905,1.7441;-2.5349,-1.7736,2.1142;-1.2307,-.6196,1.7507;-1.4834,-2.032,.6926;-.8906,-2.7564,7.7169;-1.449,-.6692,6.7193;-2.3142,-.0573,6.4439;-3.0049,-1.9482,7.8922;-.4832,.6338,11.8917;.0279,1.0244,12.793;-.8909,-.3634,12.1348;-1.3407,1.2851,11.6568;.4748,.5443,10.7045;.8838,1.5491,10.4832;1.3416,-.0809,10.9862;-.1491,-.052,9.4314;-.6212,-1.0199,9.6709;.638,-.2658,8.6912;-1.177,.8654,8.8005;-2.2486,1.1291,9.32;-.7922,1.5002,7.9642;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604708125392</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">0.001739026807 0.000325716550 0.027639766396 0.008703675031</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="126">-0.000304430 -0.000156359 0.000185187 0.000304273 0.000322055 0.000442961 0.000495020 0.001208444 0.001574836 0.001710490 0.002413189 0.003004558 0.003351748 0.004165685 0.004785349 0.005402490 0.005913457 0.006956870 0.007162392 0.008562695 0.011015532 0.011622923 0.012442053 0.018317415 0.019612349 0.020826483 0.024628790 0.026926228 0.030800691 0.032021400 0.033104753 0.034047493 0.034360931 0.036316506 0.040442550 0.044608530 0.046457929 0.046776757 0.047893367 0.051172183 0.052084609 0.052268803 0.054677528 0.057897035 0.059249187 0.059579528 0.067269815 0.068546783 0.070870822 0.072425525 0.074306548 0.077076666 0.077471239 0.079506464 0.081775155 0.082802797 0.090113080 0.097352620 0.098819551 0.100173783 0.106255959 0.109195248 0.113207625 0.113292878 0.115366701 0.129634061 0.134979443 0.136195628 0.137883623 0.139168455 0.146729591 0.155780243 0.162375964 0.168841667 0.171864075 0.174740763 0.178624552 0.187878991 0.194738078 0.202672061 0.209503134 0.218099548 0.232499095 0.249061693 0.251925207 0.291192227 0.309540249 0.341448465 0.379286969 0.414996014 0.430291985 0.474621831 0.501291253 0.543582140 0.586845810 0.611723129 0.621414413 0.661040862 0.734178566 0.737098293 0.750309586 0.755027377 0.770425620 0.777788603 0.780251594 0.784841602 0.786188670 0.797469494 0.805412459 0.814250823 0.821228489 0.824355834 0.845903393 0.847344754 0.849315227 0.864302451 0.891955555 0.899445601 0.900607943 0.904017687 0.914547188 0.918285346 0.933598083 0.971304807 1.445883508 1.544502075</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="-3.53179587" y3="-1.7001872" z3="10.80441639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18347188" y3="-0.77721627" z3="10.30801917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24323991" y3="-1.64887695" z3="11.87083055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63778226" y3="-1.71656301" z3="10.75637617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93859825" y3="-2.93554461" z3="10.13362653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26704101" y3="-3.85568247" z3="10.65834636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83694191" y3="-2.91204117" z3="10.19262835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31940946" y3="-3.07487557" z3="8.65890745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41682233" y3="-3.19599773" z3="8.57277705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82769019" y3="-3.97244694" z3="8.24363189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68739075" y3="-1.85416407" z3="7.42790664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.15000703" y3="-0.48178444" z3="5.99554336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59261698" y3="-1.17148843" z3="6.4391499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.2556612" y3="0.54689416" z3="6.13329032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20077489" y3="-0.74538914" z3="4.4765829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.79368353" y3="-0.52992662" z3="4.02927105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.91024513" y3="-0.0297289" z3="4.01645235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60763449" y3="-2.17499282" z3="4.11933768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62882303" y3="-2.3569099" z3="4.50150602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04104289" y3="-2.87702858" z3="4.67423436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.54793387" y3="-2.5094114" z3="2.62465904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.78254627" y3="-3.5829099" z3="2.48946661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.48895378" y3="-2.37569752" z3="2.25592774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49677904" y3="-1.68602662" z3="1.7522832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5368441" y3="-1.76893044" z3="2.11829625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.22985852" y3="-0.61456525" z3="1.75975287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.47846242" y3="-2.02780707" z3="0.70087364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89237195" y3="-2.76158642" z3="7.70866847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44172714" y3="-0.6589336" z3="6.73755176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.30736256" y3="-0.0497821" z3="6.4579671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00333946" y3="-1.94939908" z3="7.88909486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48890619" y3="0.63790359" z3="11.87703333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01362122" y3="1.04595814" z3="12.77316575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.88585829" y3="-0.36086152" z3="12.1309233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3536801" y3="1.27366375" z3="11.63129385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47471423" y3="0.54640131" z3="10.69488785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.87875621" y3="1.55379245" z3="10.46780075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34635119" y3="-0.07226033" z3="10.98405035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14167691" y3="-0.06466175" z3="9.42481413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60869614" y3="-1.03310337" z3="9.67173817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65115949" y3="-0.28013074" z3="8.69097587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17340363" y3="0.84069227" z3="8.78100205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24888887" y3="1.10145141" z3="9.29795963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77891867" y3="1.48954219" z3="7.95935179">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5318,-1.7002,10.8044;-3.1835,-.7772,10.308;-3.2432,-1.6489,11.8708;-4.6378,-1.7166,10.7564;-2.9386,-2.9355,10.1336;-3.267,-3.8557,10.6583;-1.8369,-2.912,10.1926;-3.3194,-3.0749,8.6589;-4.4168,-3.196,8.5728;-2.8277,-3.9724,8.2436;-1.6874,-1.8542,7.4279;-.15,-.4818,5.9955;.5926,-1.1715,6.4391;.2557,.5469,6.1333;-.2008,-.7454,4.4766;.7937,-.5299,4.0293;-.9102,-.0297,4.0165;-.6076,-2.175,4.1193;-1.6288,-2.3569,4.5015;.041,-2.877,4.6742;-.5479,-2.5094,2.6247;-.7825,-3.5829,2.4895;.489,-2.3757,2.2559;-1.4968,-1.686,1.7523;-2.5368,-1.7689,2.1183;-1.2299,-.6146,1.7598;-1.4785,-2.0278,.7009;-.8924,-2.7616,7.7087;-1.4417,-.6589,6.7376;-2.3074,-.0498,6.458;-3.0033,-1.9494,7.8891;-.4889,.6379,11.877;.0136,1.046,12.7732;-.8859,-.3609,12.1309;-1.3537,1.2737,11.6313;.4747,.5464,10.6949;.8788,1.5538,10.4678;1.3464,-.0723,10.9841;-.1417,-.0647,9.4248;-.6087,-1.0331,9.6717;.6512,-.2801,8.691;-1.1734,.8407,8.781;-2.2489,1.1015,9.298;-.7789,1.4895,7.9594;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604885859211</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">0.001175662612 0.000271451188 0.029175821969 0.008704484975</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="126">-0.000883447 0.000060237 0.000186439 0.000304859 0.000324484 0.000490776 0.000546913 0.001206655 0.001574605 0.001711668 0.002418444 0.003019971 0.003364364 0.004168429 0.004787709 0.005403150 0.005952012 0.007057383 0.007166332 0.008571985 0.011030893 0.011625860 0.012453030 0.018330227 0.019645457 0.020826546 0.024630120 0.026926507 0.030800754 0.032022022 0.033104766 0.034051992 0.034361345 0.036316299 0.040442592 0.044608528 0.046458278 0.046779497 0.047892925 0.051178693 0.052086579 0.052279884 0.054684031 0.057899942 0.059249926 0.059582709 0.067269928 0.068549183 0.070873706 0.072426182 0.074311251 0.077076953 0.077471532 0.079510039 0.081785031 0.082828515 0.090113910 0.097352892 0.098819753 0.100173872 0.106256075 0.109196183 0.113214375 0.113292863 0.115366807 0.129634747 0.134980771 0.136206923 0.137884069 0.139169412 0.146736636 0.155786722 0.162381095 0.168842548 0.171864357 0.174832866 0.178629248 0.187884839 0.194741488 0.202683220 0.209509803 0.218134519 0.232503393 0.249083377 0.251932110 0.291214236 0.309540709 0.341461382 0.379339647 0.414995993 0.430292532 0.474625361 0.501453179 0.543583013 0.586846000 0.611724337 0.621531876 0.661041223 0.734181121 0.737098279 0.750310738 0.755027614 0.770429555 0.777807350 0.780262728 0.784845753 0.786212102 0.797469524 0.805412516 0.814250977 0.821228738 0.824357966 0.845924774 0.847345178 0.849319314 0.864319086 0.891957607 0.899446643 0.900613665 0.904018824 0.914557264 0.918289354 0.933599746 0.971318724 1.445889915 1.544502659</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="-3.5322729" y3="-1.69282449" z3="10.80376975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18176151" y3="-0.77009602" z3="10.30834824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24626907" y3="-1.64216679" z3="11.87087897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63813897" y3="-1.70840874" z3="10.75309273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93836598" y3="-2.92835123" z3="10.13401326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26629616" y3="-3.84836064" z3="10.65919481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83673782" y3="-2.90404127" z3="10.19359783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31914465" y3="-3.06900296" z3="8.65945584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41631011" y3="-3.19243588" z3="8.57377066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82551245" y3="-3.9653889" z3="8.24402608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6911456" y3="-1.84562505" z3="7.42626078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.15765672" y3="-0.46731019" z3="5.99495866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58942506" y3="-1.15218684" z3="6.43880855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.24329187" y3="0.56369341" z3="6.12870926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21103382" y3="-0.73640056" z3="4.47723629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.78035709" y3="-0.51450529" z3="4.02642717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.92772347" y3="-0.02807914" z3="4.01668816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60668836" y3="-2.17070068" z3="4.12603459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62753003" y3="-2.3587149" z3="4.50571928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04549427" y3="-2.86494859" z3="4.68639906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5395843" y3="-2.51145159" z3="2.63318307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.76170438" y3="-3.5882189" z3="2.50191412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.49692826" y3="-2.36756423" z3="2.26714718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49528897" y3="-1.70240463" z3="1.75463346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5360153" y3="-1.79810626" z3="2.11596277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.24234137" y3="-0.6273398" z3="1.7610911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.46769619" y3="-2.04636128" z3="0.70408234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89508084" y3="-2.75347287" z3="7.7020718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4467346" y3="-0.64687898" z3="6.74106732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.31358421" y3="-0.0379322" z3="6.4645132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00579432" y3="-1.94289681" z3="7.88927706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.49058334" y3="0.61903374" z3="11.87197317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00922552" y3="1.02161525" z3="12.77231332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.88991867" y3="-0.38105453" z3="12.1183301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.35415539" y3="1.25692547" z3="11.62611561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47803191" y3="0.53331247" z3="10.69351125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.8860279" y3="1.54180853" z3="10.47529319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34737974" y3="-0.09012346" z3="10.9820042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13534223" y3="-0.0681677" z3="9.41692507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59923898" y3="-1.04073705" z3="9.65465574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65979527" y3="-0.27531438" z3="8.68278057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16945321" y3="0.83899616" z3="8.7775616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24373807" y3="1.09867887" z3="9.2986402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7754767" y3="1.49289626" z3="7.95993545">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5323,-1.6928,10.8038;-3.1818,-.7701,10.3083;-3.2463,-1.6422,11.8709;-4.6381,-1.7084,10.7531;-2.9384,-2.9284,10.134;-3.2663,-3.8484,10.6592;-1.8367,-2.904,10.1936;-3.3191,-3.069,8.6595;-4.4163,-3.1924,8.5738;-2.8255,-3.9654,8.244;-1.6911,-1.8456,7.4263;-.1577,-.4673,5.995;.5894,-1.1522,6.4388;.2433,.5637,6.1287;-.211,-.7364,4.4772;.7804,-.5145,4.0264;-.9277,-.0281,4.0167;-.6067,-2.1707,4.126;-1.6275,-2.3587,4.5057;.0455,-2.8649,4.6864;-.5396,-2.5115,2.6332;-.7617,-3.5882,2.5019;.4969,-2.3676,2.2671;-1.4953,-1.7024,1.7546;-2.536,-1.7981,2.116;-1.2423,-.6273,1.7611;-1.4677,-2.0464,.7041;-.8951,-2.7535,7.7021;-1.4467,-.6469,6.7411;-2.3136,-.0379,6.4645;-3.0058,-1.9429,7.8893;-.4906,.619,11.872;.0092,1.0216,12.7723;-.8899,-.3811,12.1183;-1.3542,1.2569,11.6261;.478,.5333,10.6935;.886,1.5418,10.4753;1.3474,-.0901,10.982;-.1353,-.0682,9.4169;-.5992,-1.0407,9.6547;.6598,-.2753,8.6828;-1.1695,.839,8.7776;-2.2437,1.0987,9.2986;-.7755,1.4929,7.9599;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604930087757</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">0.001778439321 0.000313315855 0.024823656013 0.008703256304</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="126">-0.000531042 0.000046700 0.000195349 0.000304712 0.000328215 0.000493538 0.000546525 0.001206843 0.001574628 0.001715975 0.002443345 0.003054497 0.003388525 0.004171417 0.004800994 0.005403440 0.005954335 0.007067021 0.007170448 0.008572681 0.011031107 0.011626195 0.012454323 0.018330362 0.019645111 0.020826566 0.024630081 0.026926467 0.030801078 0.032021800 0.033104576 0.034051650 0.034361251 0.036316716 0.040442745 0.044608816 0.046458225 0.046779977 0.047893968 0.051179544 0.052086577 0.052276967 0.054683607 0.057900187 0.059249673 0.059582309 0.067269924 0.068549761 0.070873744 0.072426441 0.074311325 0.077076208 0.077474114 0.079514416 0.081792929 0.082839094 0.090114449 0.097352823 0.098819742 0.100173885 0.106256004 0.109195364 0.113214453 0.113292727 0.115366781 0.129634872 0.134981385 0.136206404 0.137884060 0.139170461 0.146739921 0.155791127 0.162385733 0.168841863 0.171866109 0.174857674 0.178628847 0.187889255 0.194746385 0.202681734 0.209504965 0.218151822 0.232500375 0.249113388 0.251940922 0.291221309 0.309542884 0.341465749 0.379341413 0.414997682 0.430293955 0.474630361 0.501561015 0.543583310 0.586846161 0.611724394 0.621548669 0.661041372 0.734184640 0.737098055 0.750311529 0.755027514 0.770430960 0.777816684 0.780271265 0.784849169 0.786219835 0.797469615 0.805413314 0.814251474 0.821228649 0.824367095 0.845943408 0.847345752 0.849323681 0.864329184 0.891957891 0.899447375 0.900618369 0.904019730 0.914567781 0.918289733 0.933599824 0.971319626 1.445893779 1.544503707</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="-3.53254216" y3="-1.68887373" z3="10.81071833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18447265" y3="-0.76557521" z3="10.31488229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24659838" y3="-1.63633138" z3="11.87779648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63839979" y3="-1.70688897" z3="10.76001653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9358703" y3="-2.92365459" z3="10.14198839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26122348" y3="-3.84362762" z3="10.66902617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83421311" y3="-2.8965721" z3="10.20057024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3174575" y3="-3.06738912" z3="8.66773633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4144855" y3="-3.19453363" z3="8.58362039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8217398" y3="-3.96345524" z3="8.25403126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69384327" y3="-1.84534767" z3="7.42551336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.16483034" y3="-0.47051308" z3="5.98561467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58220335" y3="-1.15344901" z3="6.43235151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.23298986" y3="0.56155223" z3="6.12132548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21026875" y3="-0.73843561" z3="4.46731996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.78210694" y3="-0.51251888" z3="4.0205478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.92760561" y3="-0.03239867" z3="4.00464307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59950941" y3="-2.17372258" z3="4.1138243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61906807" y3="-2.36653026" z3="4.49462168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05627751" y3="-2.86590378" z3="4.67241294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53186574" y3="-2.51181968" z3="2.62041265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.74818113" y3="-3.58925064" z3="2.48762264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50316441" y3="-2.36174934" z3="2.25344073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49248628" y3="-1.70710267" z3="1.74413269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53195065" y3="-1.80934723" z3="2.10618292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.24580805" y3="-0.63103801" z3="1.75227298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.4637001" y3="-2.04895987" z3="0.69299275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89457562" y3="-2.74861718" z3="7.70944475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.45642258" y3="-0.65588545" z3="6.72523624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32332749" y3="-0.04523945" z3="6.45303571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00802222" y3="-1.9421293" z3="7.89533206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48825083" y3="0.61402172" z3="11.88144067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01724655" y3="1.00327636" z3="12.78405628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.90130236" y3="-0.38198483" z3="12.12070221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34297737" y3="1.26537693" z3="11.64120403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47845909" y3="0.52382648" z3="10.70189239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.90089923" y3="1.5276723" z3="10.49142676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33848739" y3="-0.11423896" z3="10.98493437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14296428" y3="-0.05974992" z3="9.42119776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61275092" y3="-1.03123688" z3="9.65036445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64761407" y3="-0.26560468" z3="8.6822498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1722192" y3="0.85925157" z3="8.79357469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2424916" y3="1.12350253" z3="9.31781715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78638562" y3="1.50058243" z3="7.96284498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5325,-1.6889,10.8107;-3.1845,-.7656,10.3149;-3.2466,-1.6363,11.8778;-4.6384,-1.7069,10.76;-2.9359,-2.9237,10.142;-3.2612,-3.8436,10.669;-1.8342,-2.8966,10.2006;-3.3175,-3.0674,8.6677;-4.4145,-3.1945,8.5836;-2.8217,-3.9635,8.254;-1.6938,-1.8453,7.4255;-.1648,-.4705,5.9856;.5822,-1.1534,6.4324;.233,.5616,6.1213;-.2103,-.7384,4.4673;.7821,-.5125,4.0205;-.9276,-.0324,4.0046;-.5995,-2.1737,4.1138;-1.6191,-2.3665,4.4946;.0563,-2.8659,4.6724;-.5319,-2.5118,2.6204;-.7482,-3.5893,2.4876;.5032,-2.3617,2.2534;-1.4925,-1.7071,1.7441;-2.532,-1.8093,2.1062;-1.2458,-.631,1.7523;-1.4637,-2.049,.693;-.8946,-2.7486,7.7094;-1.4564,-.6559,6.7252;-2.3233,-.0452,6.453;-3.008,-1.9421,7.8953;-.4883,.614,11.8814;.0172,1.0033,12.7841;-.9013,-.382,12.1207;-1.343,1.2654,11.6412;.4785,.5238,10.7019;.9009,1.5277,10.4914;1.3385,-.1142,10.9849;-.143,-.0597,9.4212;-.6128,-1.0312,9.6504;.6476,-.2656,8.6822;-1.1722,.8593,8.7936;-2.2425,1.1235,9.3178;-.7864,1.5006,7.9628;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604775342447</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">0.001491895775 0.000288944868 0.034871313963 0.008703381458</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="126">-0.000246633 0.000048076 0.000196775 0.000307332 0.000358279 0.000493301 0.000543632 0.001215100 0.001574721 0.001719870 0.002443338 0.003055219 0.003392181 0.004171258 0.004801628 0.005403254 0.005959711 0.007074467 0.007170205 0.008572499 0.011028944 0.011628778 0.012453214 0.018327583 0.019640661 0.020826571 0.024630462 0.026925958 0.030801106 0.032021241 0.033104523 0.034051290 0.034361263 0.036316970 0.040443187 0.044609882 0.046458596 0.046779572 0.047893587 0.051182018 0.052086272 0.052275189 0.054683749 0.057902774 0.059249108 0.059581551 0.067269889 0.068549604 0.070872350 0.072425672 0.074310156 0.077075344 0.077474373 0.079511873 0.081786933 0.082828001 0.090115545 0.097352580 0.098820013 0.100174522 0.106255833 0.109194895 0.113213245 0.113293007 0.115366688 0.129634599 0.134981758 0.136206508 0.137884364 0.139169336 0.146737622 0.155789288 0.162382885 0.168841424 0.171864445 0.174840771 0.178630326 0.187886816 0.194748383 0.202680639 0.209498310 0.218141183 0.232510416 0.249077839 0.251936261 0.291216322 0.309542271 0.341463749 0.379347603 0.414998846 0.430293688 0.474629412 0.501580883 0.543582824 0.586846266 0.611724278 0.621566875 0.661041229 0.734186594 0.737097937 0.750311795 0.755027333 0.770431402 0.777818254 0.780272032 0.784848711 0.786213831 0.797469716 0.805413254 0.814251582 0.821229330 0.824365955 0.845954587 0.847345751 0.849323452 0.864325946 0.891957817 0.899446492 0.900618379 0.904019421 0.914571049 0.918289454 0.933599757 0.971315898 1.445916453 1.544503482</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="-3.53704286" y3="-1.6846186" z3="10.81175063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18709991" y3="-0.76109003" z3="10.31825325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25399533" y3="-1.63338144" z3="11.87962342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64268629" y3="-1.70126365" z3="10.75813877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93988831" y3="-2.91908541" z3="10.14301431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26562822" y3="-3.83881173" z3="10.66998019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83835262" y3="-2.89195161" z3="10.20206221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32067345" y3="-3.06275185" z3="8.66853574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41752909" y3="-3.19144155" z3="8.58468621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82403504" y3="-3.95852843" z3="8.2553805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69826227" y3="-1.84143973" z3="7.4230594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17170358" y3="-0.46676663" z3="5.9795706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57703547" y3="-1.14598231" z3="6.42945713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.22131826" y3="0.56731885" z3="6.11584539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21033523" y3="-0.736045" z3="4.4610851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.78165388" y3="-0.5028158" z3="4.01680171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.93229538" y3="-0.03590238" z3="3.99618014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58748026" y3="-2.17496363" z3="4.10822717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60476207" y3="-2.37687737" z3="4.49137498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07600123" y3="-2.8614749" z3="4.66564545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51966577" y3="-2.51202476" z3="2.61474227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71979782" y3="-3.59351238" z3="2.48308385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51247178" y3="-2.3456181" z3="2.24401754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4970888" y3="-1.72168196" z3="1.74177587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53496619" y3="-1.84421854" z3="2.10541289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27011763" y3="-0.6401975" z3="1.75210602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.46363371" y3="-2.0601749" z3="0.6897153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89741754" y3="-2.74240324" z3="7.71263172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46527146" y3="-0.6584671" z3="6.71358177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33180199" y3="-0.04455857" z3="6.44677838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01263764" y3="-1.93773371" z3="7.89630906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47944461" y3="0.6030174" z3="11.89044917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03368542" y3="0.97738715" z3="12.7975376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89902741" y3="-0.39269582" z3="12.11937939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33014018" y3="1.26616137" z3="11.66154636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48184236" y3="0.51692939" z3="10.70573447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.90553081" y3="1.51867552" z3="10.50006327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33950674" y3="-0.12428259" z3="10.98046102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1452757" y3="-0.05490723" z3="9.42354454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61884204" y3="-1.02591159" z3="9.64586042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64148947" y3="-0.25895139" z3="8.67991856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17170099" y3="0.87441367" z3="8.80748293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23848704" y3="1.14083041" z3="9.33419177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79181077" y3="1.50718498" z3="7.96737635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.537,-1.6846,10.8118;-3.1871,-.7611,10.3183;-3.254,-1.6334,11.8796;-4.6427,-1.7013,10.7581;-2.9399,-2.9191,10.143;-3.2656,-3.8388,10.67;-1.8384,-2.892,10.2021;-3.3207,-3.0628,8.6685;-4.4175,-3.1914,8.5847;-2.824,-3.9585,8.2554;-1.6983,-1.8414,7.4231;-.1717,-.4668,5.9796;.577,-1.146,6.4295;.2213,.5673,6.1158;-.2103,-.736,4.4611;.7817,-.5028,4.0168;-.9323,-.0359,3.9962;-.5875,-2.175,4.1082;-1.6048,-2.3769,4.4914;.076,-2.8615,4.6656;-.5197,-2.512,2.6147;-.7198,-3.5935,2.4831;.5125,-2.3456,2.244;-1.4971,-1.7217,1.7418;-2.535,-1.8442,2.1054;-1.2701,-.6402,1.7521;-1.4636,-2.0602,.6897;-.8974,-2.7424,7.7126;-1.4653,-.6585,6.7136;-2.3318,-.0446,6.4468;-3.0126,-1.9377,7.8963;-.4794,.603,11.8904;.0337,.9774,12.7975;-.899,-.3927,12.1194;-1.3301,1.2662,11.6615;.4818,.5169,10.7057;.9055,1.5187,10.5001;1.3395,-.1243,10.9805;-.1453,-.0549,9.4235;-.6188,-1.0259,9.6459;.6415,-.259,8.6799;-1.1717,.8744,8.8075;-2.2385,1.1408,9.3342;-.7918,1.5072,7.9674;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604675013098</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">0.001831747366 0.000446258090 0.027662379755 0.008703258093</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="126">-0.000844629 0.000003538 0.000191308 0.000306174 0.000467079 0.000528374 0.000586346 0.001452908 0.001579919 0.001728023 0.002445357 0.003062653 0.003414344 0.004175714 0.004802847 0.005403373 0.006051777 0.007170049 0.007197524 0.008581198 0.011047790 0.011642993 0.012470184 0.018367204 0.019690289 0.020826672 0.024634613 0.026925876 0.030802581 0.032021002 0.033105875 0.034076581 0.034363318 0.036316650 0.040444321 0.044611000 0.046461238 0.046790109 0.047892871 0.051189324 0.052087698 0.052274990 0.054686111 0.057919061 0.059249063 0.059580468 0.067270318 0.068560157 0.070873722 0.072433092 0.074312616 0.077072625 0.077474358 0.079513397 0.081794868 0.082830586 0.090135438 0.097353651 0.098819949 0.100175096 0.106256012 0.109199208 0.113218198 0.113307719 0.115366699 0.129634394 0.134984848 0.136236414 0.137892670 0.139171988 0.146743202 0.155821063 0.162382750 0.168842003 0.171888723 0.174979686 0.178639697 0.187886677 0.194813698 0.202676774 0.209543357 0.218148561 0.232682522 0.249082595 0.251964188 0.291249830 0.309542207 0.341480842 0.379370494 0.415034113 0.430300446 0.474629535 0.501864870 0.543584282 0.586847072 0.611724029 0.621639101 0.661041935 0.734194085 0.737097602 0.750311647 0.755027930 0.770432532 0.777821961 0.780304061 0.784866292 0.786212349 0.797470177 0.805413471 0.814265854 0.821239204 0.824380166 0.846046141 0.847345860 0.849360686 0.864396780 0.891957983 0.899448287 0.900629906 0.904024458 0.914639581 0.918300547 0.933599676 0.971328922 1.446003547 1.544503431</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="-3.53960749" y3="-1.67861811" z3="10.81144909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18869207" y3="-0.75450581" z3="10.31926712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25865712" y3="-1.62822627" z3="11.87995072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64525344" y3="-1.69602276" z3="10.75547082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94021237" y3="-2.91221607" z3="10.14288557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26431069" y3="-3.83280502" z3="10.66967362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83860027" y3="-2.88300179" z3="10.20252449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32082133" y3="-3.05672609" z3="8.66841255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41745727" y3="-3.18837862" z3="8.58459072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82150555" y3="-3.95083438" z3="8.25471681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.703033" y3="-1.83164907" z3="7.42058232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.18089648" y3="-0.45065005" z3="5.97735859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57289348" y3="-1.12331361" z3="6.42903177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.20563981" y3="0.58646118" z3="6.10830301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2200523" y3="-0.72755689" z3="4.4602885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.76882196" y3="-0.48660633" z3="4.01321292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.94979225" y3="-0.03659502" z3="3.99330927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.583473" y3="-2.17192321" z3="4.11491927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59858528" y3="-2.38156192" z3="4.49914584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08661921" y3="-2.84918648" z3="4.67578986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51342961" y3="-2.51667342" z3="2.62327906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70828989" y3="-3.59801323" z3="2.49734096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51644118" y3="-2.34816965" z3="2.25270308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49227544" y3="-1.73739711" z3="1.74499298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52701723" y3="-1.85925602" z3="2.10966896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26803356" y3="-0.65801364" z3="1.74750454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.45948101" y3="-2.08275981" z3="0.6954002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9005827" y3="-2.73242335" z3="7.70488426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47188376" y3="-0.64470169" z3="6.71563697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33992728" y3="-0.03252353" z3="6.45072459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01580008" y3="-1.93025157" z3="7.89637685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47724797" y3="0.58173443" z3="11.888108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03031037" y3="0.95630512" z3="12.79549714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89250941" y3="-0.41622311" z3="12.11321611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.32993333" y3="1.23849899" z3="11.65888473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48576121" y3="0.50572944" z3="10.70436956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.91319594" y3="1.51063615" z3="10.50911753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34265192" y3="-0.14199926" z3="10.97487652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14119556" y3="-0.05554015" z3="9.41596383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61160671" y3="-1.02998706" z3="9.63100543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64638337" y3="-0.25230836" z3="8.6711949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16997601" y3="0.8740894" z3="8.80447162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23493112" y3="1.13978926" z3="9.33761012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79200967" y3="1.51276178" z3="7.96866205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5396,-1.6786,10.8114;-3.1887,-.7545,10.3193;-3.2587,-1.6282,11.88;-4.6453,-1.696,10.7555;-2.9402,-2.9122,10.1429;-3.2643,-3.8328,10.6697;-1.8386,-2.883,10.2025;-3.3208,-3.0567,8.6684;-4.4175,-3.1884,8.5846;-2.8215,-3.9508,8.2547;-1.703,-1.8316,7.4206;-.1809,-.4507,5.9774;.5729,-1.1233,6.429;.2056,.5865,6.1083;-.2201,-.7276,4.4603;.7688,-.4866,4.0132;-.9498,-.0366,3.9933;-.5835,-2.1719,4.1149;-1.5986,-2.3816,4.4991;.0866,-2.8492,4.6758;-.5134,-2.5167,2.6233;-.7083,-3.598,2.4973;.5164,-2.3482,2.2527;-1.4923,-1.7374,1.745;-2.527,-1.8593,2.1097;-1.268,-.658,1.7475;-1.4595,-2.0828,.6954;-.9006,-2.7324,7.7049;-1.4719,-.6447,6.7156;-2.3399,-.0325,6.4507;-3.0158,-1.9303,7.8964;-.4772,.5817,11.8881;.0303,.9563,12.7955;-.8925,-.4162,12.1132;-1.3299,1.2385,11.6589;.4858,.5057,10.7044;.9132,1.5106,10.5091;1.3427,-.142,10.9749;-.1412,-.0555,9.416;-.6116,-1.03,9.631;.6464,-.2523,8.6712;-1.17,.8741,8.8045;-2.2349,1.1398,9.3376;-.792,1.5128,7.9687;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604701571711</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">0.002385293309 0.000476891740 0.033060713665 0.008703491856</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="126">-0.001293361 -0.000194133 0.000187121 0.000307993 0.000466079 0.000505708 0.000599040 0.001548353 0.001719724 0.001932979 0.002444455 0.003063790 0.003429267 0.004177282 0.004803645 0.005405166 0.006195407 0.007169976 0.007355570 0.008601394 0.011080916 0.011656460 0.012502241 0.018460316 0.019782175 0.020826644 0.024642769 0.026925723 0.030805105 0.032021255 0.033118236 0.034121331 0.034366819 0.036316320 0.040444978 0.044612816 0.046463845 0.046796557 0.047896409 0.051193398 0.052087452 0.052282851 0.054685889 0.057942588 0.059260113 0.059584366 0.067270831 0.068554585 0.070884546 0.072446040 0.074310739 0.077078092 0.077474780 0.079513189 0.081795895 0.082832798 0.090165386 0.097354763 0.098819976 0.100175920 0.106255743 0.109197189 0.113228059 0.113351210 0.115367039 0.129636071 0.134987856 0.136259709 0.137904955 0.139182543 0.146777810 0.155893248 0.162390381 0.168841216 0.171918822 0.175070746 0.178643682 0.187896788 0.195095408 0.202686206 0.209578908 0.218162853 0.232817339 0.249091915 0.251997703 0.291357187 0.309544949 0.341606189 0.379440806 0.415166846 0.430332331 0.474632058 0.502474223 0.543590034 0.586848431 0.611724195 0.621802242 0.661044580 0.734248641 0.737097660 0.750338982 0.755047298 0.770496668 0.777823582 0.780341037 0.784880856 0.786226497 0.797470470 0.805413380 0.814265421 0.821239316 0.824398566 0.846116707 0.847346038 0.849464070 0.864438377 0.891961766 0.899455778 0.900665126 0.904042662 0.914670977 0.918338401 0.933603305 0.971333069 1.446175402 1.544503835</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="-3.53665095" y3="-1.68451711" z3="10.81158716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18688054" y3="-0.76109832" z3="10.31744236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.2537717" y3="-1.63261613" z3="11.87949569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64234009" y3="-1.70185557" z3="10.75772341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93869464" y3="-2.9191704" z3="10.1437493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.263743" y3="-3.83898402" z3="10.67120335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8370986" y3="-2.89122815" z3="10.20302462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31946159" y3="-3.06411276" z3="8.66936942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41625801" y3="-3.1939331" z3="8.58537755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82166891" y3="-3.95939253" z3="8.25637464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69880331" y3="-1.84098175" z3="7.42350742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.173605" y3="-0.4628349" z3="5.9812979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57680515" y3="-1.14083051" z3="6.43025761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.21819303" y3="0.57180772" z3="6.11608493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21477972" y3="-0.73350088" z3="4.4632365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.77561411" y3="-0.49749234" z3="4.01667978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.93987239" y3="-0.03578178" z3="3.9993092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58865224" y3="-2.17383878" z3="4.11235767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60508671" y3="-2.37757338" z3="4.4966442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07691043" y3="-2.85830214" z3="4.66984295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52208922" y3="-2.51318638" z3="2.61931964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73001793" y3="-3.59189006" z3="2.48911353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51010883" y3="-2.35556885" z3="2.24930397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49119344" y3="-1.71812426" z3="1.74414759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52746825" y3="-1.8261953" z3="2.11051182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25179235" y3="-0.64149453" z3="1.7481878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.46469066" y3="-2.06205432" z3="0.69386246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89764395" y3="-2.7424768" z3="7.70909165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46545351" y3="-0.6540939" z3="6.71886067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33298717" y3="-0.04229814" z3="6.45104594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01247871" y3="-1.93868124" z3="7.89662236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4809681" y3="0.60369342" z3="11.88470603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02848262" y3="0.98589647" z3="12.78872762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89773537" y3="-0.39161302" z3="12.11962211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33333667" y3="1.26058579" z3="11.64974973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48248822" y3="0.51442718" z3="10.70231499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.90953565" y3="1.5164623" z3="10.49607462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33933872" y3="-0.12931803" z3="10.97977471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14471664" y3="-0.05926095" z3="9.42018103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61768787" y3="-1.03019345" z3="9.64456024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64273796" y3="-0.2644134" z3="8.67763651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17199934" y3="0.8671553" z3="8.80066807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23952851" y3="1.13353169" z3="9.32798668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78942144" y3="1.50473464" z3="7.96573743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5367,-1.6845,10.8116;-3.1869,-.7611,10.3174;-3.2538,-1.6326,11.8795;-4.6423,-1.7019,10.7577;-2.9387,-2.9192,10.1437;-3.2637,-3.839,10.6712;-1.8371,-2.8912,10.203;-3.3195,-3.0641,8.6694;-4.4163,-3.1939,8.5854;-2.8217,-3.9594,8.2564;-1.6988,-1.841,7.4235;-.1736,-.4628,5.9813;.5768,-1.1408,6.4303;.2182,.5718,6.1161;-.2148,-.7335,4.4632;.7756,-.4975,4.0167;-.9399,-.0358,3.9993;-.5887,-2.1738,4.1124;-1.6051,-2.3776,4.4966;.0769,-2.8583,4.6698;-.5221,-2.5132,2.6193;-.73,-3.5919,2.4891;.5101,-2.3556,2.2493;-1.4912,-1.7181,1.7441;-2.5275,-1.8262,2.1105;-1.2518,-.6415,1.7482;-1.4647,-2.0621,.6939;-.8976,-2.7425,7.7091;-1.4655,-.6541,6.7189;-2.333,-.0423,6.451;-3.0125,-1.9387,7.8966;-.481,.6037,11.8847;.0285,.9859,12.7887;-.8977,-.3916,12.1196;-1.3333,1.2606,11.6497;.4825,.5144,10.7023;.9095,1.5165,10.4961;1.3393,-.1293,10.9798;-.1447,-.0593,9.4202;-.6177,-1.0302,9.6446;.6427,-.2644,8.6776;-1.172,.8672,8.8007;-2.2395,1.1335,9.328;-.7894,1.5047,7.9657;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604725526326</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">0.001685820946 0.000263604825 0.021598155925 0.008704156245</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="126">-0.002415497 -0.000041386 0.000183156 0.000314505 0.000460163 0.000475970 0.000593726 0.001526664 0.001706896 0.002114835 0.002442132 0.003064008 0.003430329 0.004176739 0.004806324 0.005418753 0.006100407 0.007174454 0.007242188 0.008599969 0.011077314 0.011659124 0.012501737 0.018503799 0.019786964 0.020826744 0.024645365 0.026925117 0.030804034 0.032021269 0.033133833 0.034138136 0.034364489 0.036316030 0.040445791 0.044614122 0.046466996 0.046808094 0.047898843 0.051193466 0.052087498 0.052292007 0.054687033 0.057984719 0.059262990 0.059587761 0.067271029 0.068546522 0.070895120 0.072442112 0.074322805 0.077118279 0.077478476 0.079517192 0.081823852 0.082830196 0.090197627 0.097355475 0.098819998 0.100176824 0.106255479 0.109193378 0.113234184 0.113373036 0.115367181 0.129636581 0.134987241 0.136274687 0.137903299 0.139198865 0.146795767 0.155952645 0.162394429 0.168842261 0.171931961 0.175155789 0.178651648 0.187944709 0.195574325 0.202692329 0.209668747 0.218206734 0.232938635 0.249112770 0.252038737 0.291555267 0.309553330 0.341805671 0.379489905 0.415387836 0.430379835 0.474648661 0.502759295 0.543591395 0.586848731 0.611724254 0.621891222 0.661047620 0.734273859 0.737098422 0.750370794 0.755067776 0.770576347 0.777826885 0.780356278 0.784884836 0.786231260 0.797470608 0.805413428 0.814266866 0.821239118 0.824405683 0.846143390 0.847346050 0.849584503 0.864502968 0.891970730 0.899473345 0.900701924 0.904079143 0.914680034 0.918359097 0.933605437 0.971334015 1.446218735 1.544504321</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="-3.53635217" y3="-1.6886252" z3="10.81411686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18697098" y3="-0.76512953" z3="10.32006173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25235471" y3="-1.63706607" z3="11.88174924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64209307" y3="-1.70485174" z3="10.76143907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94022958" y3="-2.92363087" z3="10.145337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26696769" y3="-3.84301665" z3="10.67245795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83863307" y3="-2.89762098" z3="10.2039998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3210682" y3="-3.06705195" z3="8.67077435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4181652" y3="-3.19471711" z3="8.58675026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8252137" y3="-3.963674" z3="8.2582227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69618877" y3="-1.84765176" z3="7.4264145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.16755429" y3="-0.47906444" z3="5.97906473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57725677" y3="-1.16242866" z3="6.42919615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.22893247" y3="0.55318843" z3="6.11993151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.20232718" y3="-0.74230406" z3="4.45920077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7914204" y3="-0.50941395" z3="4.01834806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.92148905" y3="-0.03840073" z3="3.99542085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58259901" y3="-2.17886297" z3="4.09966942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59831292" y3="-2.38110371" z3="4.48704224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08308713" y3="-2.8696055" z3="4.6497729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52343371" y3="-2.50887944" z3="2.60411308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72942838" y3="-3.58727397" z3="2.46870599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50631858" y3="-2.34657218" z3="2.22913889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49996523" y3="-1.71166888" z3="1.73869985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53468673" y3="-1.82831791" z3="2.10677712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2662026" y3="-0.63398251" z3="1.75141117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.47438912" y3="-2.04619219" z3="0.68536265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89484368" y3="-2.74590694" z3="7.72405594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46403041" y3="-0.66953566" z3="6.70835706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32988121" y3="-0.0570222" z3="6.43779494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01166996" y3="-1.94266737" z3="7.89804323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47895415" y3="0.61663812" z3="11.89466665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03369976" y3="0.99571349" z3="12.79673677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.90205367" y3="-0.37556174" z3="12.13018409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.32700245" y3="1.27806028" z3="11.66211014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48122012" y3="0.52181345" z3="10.71004187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.916639" y3="1.52214873" z3="10.50499875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33407785" y3="-0.13049346" z3="10.98496488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.152145" y3="-0.04767899" z3="9.42793183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.62944192" y3="-1.01656648" z3="9.65264856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.63217834" y3="-0.25666987" z3="8.68327652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17620855" y3="0.88210666" z3="8.81101564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24264287" y3="1.15058572" z3="9.33755341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79969298" y3="1.50834213" z3="7.96481372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5364,-1.6886,10.8141;-3.187,-.7651,10.3201;-3.2524,-1.6371,11.8817;-4.6421,-1.7049,10.7614;-2.9402,-2.9236,10.1453;-3.267,-3.843,10.6725;-1.8386,-2.8976,10.204;-3.3211,-3.0671,8.6708;-4.4182,-3.1947,8.5868;-2.8252,-3.9637,8.2582;-1.6962,-1.8477,7.4264;-.1676,-.4791,5.9791;.5773,-1.1624,6.4292;.2289,.5532,6.1199;-.2023,-.7423,4.4592;.7914,-.5094,4.0183;-.9215,-.0384,3.9954;-.5826,-2.1789,4.0997;-1.5983,-2.3811,4.487;.0831,-2.8696,4.6498;-.5234,-2.5089,2.6041;-.7294,-3.5873,2.4687;.5063,-2.3466,2.2291;-1.5,-1.7117,1.7387;-2.5347,-1.8283,2.1068;-1.2662,-.634,1.7514;-1.4744,-2.0462,.6854;-.8948,-2.7459,7.7241;-1.464,-.6695,6.7084;-2.3299,-.057,6.4378;-3.0117,-1.9427,7.898;-.479,.6166,11.8947;.0337,.9957,12.7967;-.9021,-.3756,12.1302;-1.327,1.2781,11.6621;.4812,.5218,10.71;.9166,1.5221,10.505;1.3341,-.1305,10.985;-.1521,-.0477,9.4279;-.6294,-1.0166,9.6526;.6322,-.2567,8.6833;-1.1762,.8821,8.811;-2.2426,1.1506,9.3376;-.7997,1.5083,7.9648;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604589700655</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">0.003159735785 0.000536381278 0.022444822559 0.008703634898</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="126">-0.001674378 0.000138778 0.000206365 0.000314582 0.000463028 0.000536823 0.000738588 0.001527574 0.001714721 0.002145226 0.002442340 0.003067546 0.003442888 0.004176979 0.004807666 0.005418913 0.006232773 0.007173486 0.007425895 0.008601314 0.011111842 0.011691843 0.012562124 0.018599639 0.020006575 0.020826846 0.024656791 0.026925369 0.030804300 0.032022492 0.033148843 0.034186872 0.034380239 0.036316461 0.040446046 0.044614351 0.046468688 0.046820990 0.047899384 0.051198892 0.052086972 0.052309492 0.054694518 0.057984229 0.059279924 0.059604580 0.067271358 0.068539675 0.070937734 0.072451292 0.074323566 0.077125803 0.077479737 0.079520191 0.081835309 0.082831752 0.090222317 0.097357754 0.098820111 0.100176720 0.106256075 0.109192128 0.113252910 0.113456904 0.115367885 0.129642051 0.134987199 0.136331420 0.137929403 0.139205166 0.146826185 0.156052030 0.162407843 0.168846743 0.171946038 0.175562144 0.178682541 0.187955265 0.195851766 0.202718809 0.209708016 0.218198752 0.232978622 0.249134238 0.252047335 0.291626704 0.309553820 0.341891317 0.379622380 0.415550933 0.430420770 0.474648186 0.504493338 0.543601464 0.586848708 0.611727282 0.622700485 0.661047535 0.734297143 0.737100648 0.750417062 0.755086121 0.770632592 0.777882010 0.780574114 0.784890867 0.786247609 0.797470594 0.805414319 0.814268217 0.821238857 0.824439099 0.846386087 0.847346216 0.849710506 0.864504240 0.891973236 0.899500886 0.900723496 0.904136756 0.914831214 0.918385694 0.933606766 0.971479544 1.446331668 1.544512541</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="-3.53692133" y3="-1.68488874" z3="10.81015568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18581311" y3="-0.76156758" z3="10.3167797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25370767" y3="-1.6345333" z3="11.8780355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64262422" y3="-1.70041694" z3="10.75654624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94107814" y3="-2.91976259" z3="10.14094873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26777568" y3="-3.8395809" z3="10.66727251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83948678" y3="-2.89376753" z3="10.20020551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32196449" y3="-3.06229938" z3="8.66641326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41893423" y3="-3.18954841" z3="8.58214849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82621143" y3="-3.95820343" z3="8.25245779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69822871" y3="-1.84043835" z3="7.42377159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17020863" y3="-0.46460033" z3="5.98276672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57843295" y3="-1.14443023" z3="6.43160927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.22382783" y3="0.56896322" z3="6.11821301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.21150695" y3="-0.73416502" z3="4.46448147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.77947032" y3="-0.50049997" z3="4.0185149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.93427736" y3="-0.03444812" z3="4.00066127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58840887" y3="-2.17309349" z3="4.11242676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60516678" y3="-2.37508721" z3="4.49613264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07539533" y3="-2.85896493" z3="4.66972237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52148297" y3="-2.51162272" z3="2.61914521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72229179" y3="-3.59240284" z3="2.48866307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50994273" y3="-2.34660408" z3="2.24795606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49793456" y3="-1.72260351" z3="1.74536243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53536673" y3="-1.84477735" z3="2.10811286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27094763" y3="-0.6419522" z3="1.7555729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.46376805" y3="-2.06156267" z3="0.693448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89840328" y3="-2.74282724" z3="7.71012247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46263849" y3="-0.65361004" z3="6.71975569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32928467" y3="-0.04137987" z3="6.45043293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01250978" y3="-1.93684245" z3="7.89484576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48067272" y3="0.60156599" z3="11.88643077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02713281" y3="0.98392802" z3="12.79134761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89343774" y3="-0.3958109" z3="12.11943454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33532344" y3="1.25561545" z3="11.65283664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48260579" y3="0.51849361" z3="10.70338726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.90485862" y3="1.52264836" z3="10.49840537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.3421558" y3="-0.12152366" z3="10.97979463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14184953" y3="-0.05636416" z3="9.42059911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61241523" y3="-1.02857652" z3="9.64442486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64666795" y3="-0.25901873" z3="8.67853966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17062646" y3="0.8675929" z3="8.80065931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23838946" y3="1.132474" z3="9.328248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78919496" y3="1.50588111" z3="7.9655843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5369,-1.6849,10.8102;-3.1858,-.7616,10.3168;-3.2537,-1.6345,11.878;-4.6426,-1.7004,10.7565;-2.9411,-2.9198,10.1409;-3.2678,-3.8396,10.6673;-1.8395,-2.8938,10.2002;-3.322,-3.0623,8.6664;-4.4189,-3.1895,8.5821;-2.8262,-3.9582,8.2525;-1.6982,-1.8404,7.4238;-.1702,-.4646,5.9828;.5784,-1.1444,6.4316;.2238,.569,6.1182;-.2115,-.7342,4.4645;.7795,-.5005,4.0185;-.9343,-.0344,4.0007;-.5884,-2.1731,4.1124;-1.6052,-2.3751,4.4961;.0754,-2.859,4.6697;-.5215,-2.5116,2.6191;-.7223,-3.5924,2.4887;.5099,-2.3466,2.248;-1.4979,-1.7226,1.7454;-2.5354,-1.8448,2.1081;-1.2709,-.642,1.7556;-1.4638,-2.0616,.6934;-.8984,-2.7428,7.7101;-1.4626,-.6536,6.7198;-2.3293,-.0414,6.4504;-3.0125,-1.9368,7.8948;-.4807,.6016,11.8864;.0271,.9839,12.7913;-.8934,-.3958,12.1194;-1.3353,1.2556,11.6528;.4826,.5185,10.7034;.9049,1.5226,10.4984;1.3422,-.1215,10.9798;-.1418,-.0564,9.4206;-.6124,-1.0286,9.6444;.6467,-.259,8.6785;-1.1706,.8676,8.8007;-2.2384,1.1325,9.3282;-.7892,1.5059,7.9656;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604735247355</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">0.001144129294 0.000212350150 0.022744989016 0.008703459618</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="126">-0.000450891 -0.000137178 0.000091168 0.000209734 0.000326934 0.000483381 0.000707745 0.001380944 0.001676871 0.001743292 0.002442679 0.003063962 0.003439747 0.004175356 0.004807288 0.005418968 0.006266788 0.007167726 0.007621272 0.008593469 0.011159334 0.011710156 0.012634156 0.018674264 0.020280682 0.020827304 0.024680572 0.026923559 0.030805241 0.032023695 0.033156648 0.034226324 0.034403276 0.036316946 0.040446437 0.044621338 0.046470321 0.046822521 0.047896825 0.051225528 0.052081040 0.052319728 0.054697000 0.057962236 0.059296739 0.059618826 0.067271340 0.068497179 0.070957872 0.072459927 0.074320980 0.077156945 0.077481169 0.079518170 0.081827308 0.082828008 0.090271274 0.097362298 0.098820141 0.100176866 0.106257046 0.109191764 0.113261200 0.113517854 0.115368382 0.129645602 0.134990960 0.136360715 0.137974138 0.139273218 0.146825585 0.156123959 0.162412413 0.168852749 0.171941006 0.175792775 0.178721866 0.187975874 0.195959136 0.202757828 0.209642791 0.218119178 0.232917204 0.249179167 0.252019841 0.291634481 0.309558039 0.341952149 0.379766835 0.415615000 0.430437266 0.474666755 0.505374953 0.543607731 0.586855359 0.611736490 0.623144482 0.661047554 0.734326374 0.737103272 0.750441361 0.755096001 0.770670600 0.777913315 0.780646975 0.784889173 0.786307189 0.797470733 0.805416417 0.814269655 0.821238092 0.824454820 0.846490117 0.847346446 0.849755334 0.864495508 0.891976852 0.899514966 0.900733059 0.904158809 0.914893416 0.918396589 0.933612907 0.971546772 1.446416690 1.544516214</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="-3.53546883" y3="-1.6834401" z3="10.80610598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.1834176" y3="-0.76044868" z3="10.31247418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25219784" y3="-1.63346973" z3="11.87398853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64121808" y3="-1.69875028" z3="10.75241291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93993413" y3="-2.91842017" z3="10.13676185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26633194" y3="-3.83864743" z3="10.66262759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83826774" y3="-2.89230402" z3="10.19619121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32124718" y3="-3.06042894" z3="8.66237678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41823377" y3="-3.18710181" z3="8.57790559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82553388" y3="-3.95574392" z3="8.2470763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69828611" y3="-1.83597849" z3="7.42228182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17042757" y3="-0.45304966" z3="5.98797469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58127652" y3="-1.13125934" z3="6.43435749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.22320249" y3="0.58112809" z3="6.11896412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2205275" y3="-0.7273677" z3="4.47112548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.76858674" y3="-0.49703313" z3="4.01977952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.9442646" y3="-0.02815483" z3="4.00813453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60109503" y3="-2.16682716" z3="4.12571377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6208885" y3="-2.3632204" z3="4.50328317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05609847" y3="-2.85127048" z3="4.69183253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52506774" y3="-2.51425156" z3="2.63487775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.7275251" y3="-3.59490374" z3="2.50857319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50914156" y3="-2.35387921" z3="2.27070105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49252172" y3="-1.72756785" z3="1.74992508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53277915" y3="-1.84653531" z3="2.10364213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26385801" y3="-0.64786861" z3="1.75859181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.44960627" y3="-2.07032331" z3="0.69944989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90026091" y3="-2.74300373" z3="7.69727101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.45874643" y3="-0.63945117" z3="6.73308366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32612076" y3="-0.02755731" z3="6.4646946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01162597" y3="-1.93390868" z3="7.89173277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48431206" y3="0.59286828" z3="11.87699541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.0162699" y3="0.98397" z3="12.78289598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.88473861" y3="-0.41002371" z3="12.11103607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34711602" y3="1.23540362" z3="11.63862315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48301825" y3="0.51922308" z3="10.69654792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.89281664" y3="1.52841097" z3="10.48986058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35029894" y3="-0.10954746" z3="10.97641081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13236897" y3="-0.06576152" z3="9.41391968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59588694" y3="-1.04094955" z3="9.640229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66089223" y3="-0.26463214" z3="8.67559689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16588721" y3="0.8501426" z3="8.78765663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23658204" y3="1.11041679" z3="9.31394518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7776193" y3="1.50090501" z3="7.9647446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5355,-1.6834,10.8061;-3.1834,-.7604,10.3125;-3.2522,-1.6335,11.874;-4.6412,-1.6988,10.7524;-2.9399,-2.9184,10.1368;-3.2663,-3.8386,10.6626;-1.8383,-2.8923,10.1962;-3.3212,-3.0604,8.6624;-4.4182,-3.1871,8.5779;-2.8255,-3.9557,8.2471;-1.6983,-1.836,7.4223;-.1704,-.453,5.988;.5813,-1.1313,6.4344;.2232,.5811,6.119;-.2205,-.7274,4.4711;.7686,-.497,4.0198;-.9443,-.0282,4.0081;-.6011,-2.1668,4.1257;-1.6209,-2.3632,4.5033;.0561,-2.8513,4.6918;-.5251,-2.5143,2.6349;-.7275,-3.5949,2.5086;.5091,-2.3539,2.2707;-1.4925,-1.7276,1.7499;-2.5328,-1.8465,2.1036;-1.2639,-.6479,1.7586;-1.4496,-2.0703,.6994;-.9003,-2.743,7.6973;-1.4587,-.6395,6.7331;-2.3261,-.0276,6.4647;-3.0116,-1.9339,7.8917;-.4843,.5929,11.877;.0163,.984,12.7829;-.8847,-.41,12.111;-1.3471,1.2354,11.6386;.483,.5192,10.6965;.8928,1.5284,10.4899;1.3503,-.1095,10.9764;-.1324,-.0658,9.4139;-.5959,-1.0409,9.6402;.6609,-.2646,8.6756;-1.1659,.8501,8.7877;-2.2366,1.1104,9.3139;-.7776,1.5009,7.9647;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604882727161</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">0.001082433221 0.000217186405 0.028943176330 0.008703203145</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="126">-0.000439295 -0.000114851 0.000059764 0.000206865 0.000234972 0.000432003 0.000507875 0.001376013 0.001662612 0.001743215 0.002445672 0.003064387 0.003441385 0.004176203 0.004809625 0.005420435 0.006263260 0.007168136 0.007621631 0.008594894 0.011162416 0.011709028 0.012632504 0.018676597 0.020274201 0.020827620 0.024681991 0.026926190 0.030805972 0.032024445 0.033157610 0.034228761 0.034403004 0.036316966 0.040446508 0.044623670 0.046470735 0.046822564 0.047899572 0.051225386 0.052081516 0.052319215 0.054697836 0.057962367 0.059296209 0.059617608 0.067271379 0.068495196 0.070958805 0.072461532 0.074322219 0.077162696 0.077482547 0.079518833 0.081829535 0.082829851 0.090276784 0.097362713 0.098820815 0.100177232 0.106257154 0.109192622 0.113261365 0.113516760 0.115368424 0.129645744 0.134991047 0.136360411 0.137972626 0.139278091 0.146826834 0.156125466 0.162412009 0.168852690 0.171942330 0.175789727 0.178722486 0.187975766 0.195956416 0.202763844 0.209651271 0.218123453 0.232914791 0.249210995 0.252022896 0.291636551 0.309558293 0.341952167 0.379769939 0.415614018 0.430436605 0.474666960 0.505365541 0.543608063 0.586855322 0.611736021 0.623137342 0.661047410 0.734322515 0.737102776 0.750440259 0.755095230 0.770669324 0.777910176 0.780631956 0.784889263 0.786312683 0.797470706 0.805416414 0.814268530 0.821238066 0.824455230 0.846488122 0.847346426 0.849753184 0.864492910 0.891977272 0.899513785 0.900732636 0.904159223 0.914891898 0.918389975 0.933612748 0.971544467 1.446377061 1.544515469</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="-3.53619618" y3="-1.67794207" z3="10.80817249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18557953" y3="-0.75402197" z3="10.31505548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25544034" y3="-1.62711825" z3="11.87666043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64178198" y3="-1.69704801" z3="10.75211904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93523301" y3="-2.91107806" z3="10.14017145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2572062" y3="-3.83231324" z3="10.66702392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83363522" y3="-2.87990676" z3="10.2000189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31639233" y3="-3.05672534" z3="8.66613317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.412821" y3="-3.18799957" z3="8.58224328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81695545" y3="-3.9501054" z3="8.25134558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70077703" y3="-1.82874956" z3="7.42029821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17945462" y3="-0.43999279" z3="5.98526293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57659251" y3="-1.11353681" z3="6.43102792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.21033015" y3="0.59598794" z3="6.11056637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2330129" y3="-0.72102842" z3="4.46977258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.75571333" y3="-0.49365106" z3="4.01634452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.95609863" y3="-0.02342752" z3="4.0039852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61438989" y3="-2.16159536" z3="4.13059287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6388395" y3="-2.35229418" z3="4.49782066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03365433" y3="-2.84374695" z3="4.70922414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52203959" y3="-2.51939917" z3="2.64288503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72374374" y3="-3.60067457" z3="2.52111933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51637237" y3="-2.36215012" z3="2.28958032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47899298" y3="-1.73813145" z3="1.74175806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52454923" y3="-1.85902053" z3="2.08174376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25361006" y3="-0.65693799" z3="1.74960798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.4206631" y3="-2.08555085" z3="0.69313751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90099423" y3="-2.73628821" z3="7.68649267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46351722" y3="-0.62694758" z3="6.73818521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33282638" y3="-0.01719009" z3="6.47239608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01149641" y3="-1.92946456" z3="7.89420704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48398402" y3="0.57512371" z3="11.87607696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01363079" y3="0.96410462" z3="12.78331344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.88022993" y3="-0.42936497" z3="12.1057332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34856807" y3="1.21417124" z3="11.63983623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48400846" y3="0.51081007" z3="10.69557462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.89058917" y3="1.52238386" z3="10.49438618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35314854" y3="-0.11608053" z3="10.97297177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12858321" y3="-0.06924302" z3="9.40953342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58967726" y3="-1.04646631" z3="9.6312468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66639808" y3="-0.26303526" z3="8.6717391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16373244" y3="0.84565296" z3="8.78435244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23325736" y3="1.10622796" z3="9.31525893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77452049" y3="1.50315148" z3="7.96739766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5362,-1.6779,10.8082;-3.1856,-.754,10.3151;-3.2554,-1.6271,11.8767;-4.6418,-1.697,10.7521;-2.9352,-2.9111,10.1402;-3.2572,-3.8323,10.667;-1.8336,-2.8799,10.2;-3.3164,-3.0567,8.6661;-4.4128,-3.188,8.5822;-2.817,-3.9501,8.2513;-1.7008,-1.8287,7.4203;-.1795,-.44,5.9853;.5766,-1.1135,6.431;.2103,.596,6.1106;-.233,-.721,4.4698;.7557,-.4937,4.0163;-.9561,-.0234,4.004;-.6144,-2.1616,4.1306;-1.6388,-2.3523,4.4978;.0337,-2.8437,4.7092;-.522,-2.5194,2.6429;-.7237,-3.6007,2.5211;.5164,-2.3622,2.2896;-1.479,-1.7381,1.7418;-2.5245,-1.859,2.0817;-1.2536,-.6569,1.7496;-1.4207,-2.0856,.6931;-.901,-2.7363,7.6865;-1.4635,-.6269,6.7382;-2.3328,-.0172,6.4724;-3.0115,-1.9295,7.8942;-.484,.5751,11.8761;.0136,.9641,12.7833;-.8802,-.4294,12.1057;-1.3486,1.2142,11.6398;.484,.5108,10.6956;.8906,1.5224,10.4944;1.3531,-.1161,10.973;-.1286,-.0692,9.4095;-.5897,-1.0465,9.6312;.6664,-.263,8.6717;-1.1637,.8457,8.7844;-2.2333,1.1062,9.3153;-.7745,1.5032,7.9674;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604914881275</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">0.001674272034 0.000333689659 0.027615244147 0.008704428969</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="126">-0.000311388 -0.000144254 0.000161604 0.000199705 0.000237853 0.000464863 0.000512974 0.001403613 0.001689578 0.001811971 0.002445498 0.003066271 0.003454906 0.004179092 0.004815033 0.005436678 0.006261876 0.007167923 0.007642130 0.008596918 0.011166487 0.011709275 0.012632564 0.018677637 0.020273898 0.020827312 0.024683507 0.026927536 0.030805952 0.032026617 0.033168101 0.034230304 0.034402667 0.036317127 0.040446563 0.044624933 0.046470517 0.046822992 0.047898998 0.051229267 0.052083961 0.052317047 0.054698427 0.057962499 0.059295979 0.059616671 0.067271295 0.068501344 0.070958352 0.072462282 0.074322055 0.077179146 0.077481731 0.079518849 0.081831685 0.082830355 0.090286805 0.097362441 0.098819977 0.100176913 0.106258598 0.109198429 0.113261369 0.113516333 0.115368361 0.129645884 0.134993985 0.136360226 0.137973767 0.139283748 0.146825687 0.156139963 0.162412415 0.168851895 0.171947594 0.175795924 0.178726036 0.187982572 0.195970902 0.202789620 0.209670106 0.218123926 0.232929216 0.249264485 0.252021807 0.291651555 0.309558532 0.341973141 0.379831693 0.415633006 0.430448689 0.474687719 0.505459021 0.543608912 0.586866275 0.611750696 0.623216656 0.661048950 0.734339649 0.737102491 0.750478153 0.755104714 0.770693074 0.777910369 0.780632383 0.784897542 0.786364236 0.797470702 0.805420895 0.814277564 0.821243869 0.824475263 0.846493255 0.847346319 0.849757305 0.864496688 0.891977335 0.899518033 0.900733530 0.904160741 0.914894287 0.918389778 0.933615456 0.971568993 1.446441781 1.544520616</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="-3.53443941" y3="-1.67619884" z3="10.81286166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18578309" y3="-0.7515689" z3="10.32008939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25364393" y3="-1.62476765" z3="11.88130637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63995465" y3="-1.69669265" z3="10.75694435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93184535" y3="-2.9083107" z3="10.1446347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25251646" y3="-3.82965148" z3="10.67202645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83033938" y3="-2.87562673" z3="10.20370617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31329406" y3="-3.05460531" z3="8.67062341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40965915" y3="-3.18816857" z3="8.58776095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81273245" y3="-3.94778226" z3="8.25668668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69954263" y3="-1.8272613" z3="7.42070357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.18098148" y3="-0.44567166" z3="5.97627499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57316906" y3="-1.11881469" z3="6.42595796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.20798387" y3="0.59062822" z3="6.10356677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.22658286" y3="-0.72606398" z3="4.46016837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.76522209" y3="-0.50163026" z3="4.01214219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.94519975" y3="-0.02613983" z3="3.99072965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6110657" y3="-2.16525349" z3="4.1193875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63549069" y3="-2.35383359" z3="4.48762215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03618474" y3="-2.84936147" z3="4.6967528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52092693" y3="-2.52204414" z3="2.63165411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72055801" y3="-3.60346461" z3="2.51006507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51617499" y3="-2.36240302" z3="2.27644006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4808583" y3="-1.74294935" z3="1.73232798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52507195" y3="-1.86748138" z3="2.0721492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2586479" y3="-0.66196464" z3="1.74210245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42177868" y3="-2.08766679" z3="0.6832247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89658694" y3="-2.72927702" z3="7.69965739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46868278" y3="-0.63650896" z3="6.72092757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33773871" y3="-0.02516035" z3="6.45743989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01090979" y3="-1.92785101" z3="7.89785277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48473842" y3="0.56677476" z3="11.88834581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.0186114" y3="0.93648938" z3="12.80196995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89302563" y3="-0.43739272" z3="12.10324333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34191128" y3="1.22064113" z3="11.6625474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48167053" y3="0.50855768" z3="10.7062684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.895928" y3="1.51939709" z3="10.5159565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34569165" y3="-0.12850591" z3="10.97626334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13481104" y3="-0.05440167" z3="9.41401403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59860864" y3="-1.0332135" z3="9.6244188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65738258" y3="-0.24287225" z3="8.6719285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16714692" y3="0.87052307" z3="8.80085093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23336785" y3="1.13227015" z3="9.33344197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78793986" y3="1.51466651" z3="7.96933664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5344,-1.6762,10.8129;-3.1858,-.7516,10.3201;-3.2536,-1.6248,11.8813;-4.64,-1.6967,10.7569;-2.9318,-2.9083,10.1446;-3.2525,-3.8297,10.672;-1.8303,-2.8756,10.2037;-3.3133,-3.0546,8.6706;-4.4097,-3.1882,8.5878;-2.8127,-3.9478,8.2567;-1.6995,-1.8273,7.4207;-.181,-.4457,5.9763;.5732,-1.1188,6.426;.208,.5906,6.1036;-.2266,-.7261,4.4602;.7652,-.5016,4.0121;-.9452,-.0261,3.9907;-.6111,-2.1653,4.1194;-1.6355,-2.3538,4.4876;.0362,-2.8494,4.6968;-.5209,-2.522,2.6317;-.7206,-3.6035,2.5101;.5162,-2.3624,2.2764;-1.4809,-1.7429,1.7323;-2.5251,-1.8675,2.0721;-1.2586,-.662,1.7421;-1.4218,-2.0877,.6832;-.8966,-2.7293,7.6997;-1.4687,-.6365,6.7209;-2.3377,-.0252,6.4574;-3.0109,-1.9279,7.8979;-.4847,.5668,11.8883;.0186,.9365,12.802;-.893,-.4374,12.1032;-1.3419,1.2206,11.6625;.4817,.5086,10.7063;.8959,1.5194,10.516;1.3457,-.1285,10.9763;-.1348,-.0544,9.414;-.5986,-1.0332,9.6244;.6574,-.2429,8.6719;-1.1671,.8705,8.8009;-2.2334,1.1323,9.3334;-.7879,1.5147,7.9693;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604763670214</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">0.001462186129 0.000243439062 0.024109873361 0.008703967195</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="126">-0.000485137 -0.000077169 0.000166131 0.000236659 0.000332791 0.000488398 0.000513632 0.001404440 0.001693720 0.001824690 0.002451913 0.003067722 0.003464001 0.004180142 0.004825529 0.005456017 0.006268454 0.007168144 0.007686887 0.008598388 0.011166094 0.011709375 0.012631888 0.018677627 0.020269615 0.020827673 0.024682949 0.026928497 0.030805977 0.032028143 0.033173556 0.034230053 0.034402150 0.036316902 0.040446484 0.044624787 0.046470492 0.046822586 0.047898870 0.051226123 0.052083466 0.052316123 0.054699256 0.057963619 0.059295565 0.059614232 0.067271549 0.068501367 0.070958692 0.072463400 0.074323018 0.077175659 0.077481468 0.079520073 0.081835437 0.082837542 0.090285152 0.097363465 0.098819848 0.100177661 0.106258310 0.109196487 0.113261249 0.113518928 0.115368345 0.129645792 0.134994945 0.136359964 0.137979770 0.139290077 0.146836393 0.156137102 0.162412556 0.168852127 0.171947273 0.175792314 0.178725545 0.187979952 0.195966995 0.202791558 0.209688980 0.218136033 0.232933615 0.249270820 0.252022277 0.291660120 0.309558269 0.341970296 0.379844246 0.415631509 0.430447403 0.474687261 0.505453216 0.543608748 0.586866010 0.611750346 0.623211976 0.661048570 0.734338213 0.737103374 0.750478277 0.755104910 0.770692481 0.777912601 0.780648110 0.784902916 0.786369921 0.797470691 0.805421018 0.814279802 0.821244851 0.824484677 0.846493442 0.847346426 0.849762683 0.864508584 0.891977181 0.899518642 0.900733029 0.904160467 0.914911908 0.918398232 0.933615271 0.971572635 1.446442751 1.544524514</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="-3.53377891" y3="-1.6715204" z3="10.8187288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18859429" y3="-0.74733918" z3="10.32293884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24982743" y3="-1.61618238" z3="11.88619871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63943789" y3="-1.69395665" z3="10.76601437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93093861" y3="-2.90441153" z3="10.15217844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24928965" y3="-3.82463205" z3="10.68313084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.82926501" y3="-2.87024601" z3="10.20850316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31532368" y3="-3.05505829" z3="8.67911578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41172984" y3="-3.1913803" z3="8.59934092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81399919" y3="-3.94869956" z3="8.26716686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70597706" y3="-1.83049291" z3="7.41856452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19014425" y3="-0.4486235" z3="5.97076467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56488692" y3="-1.11933019" z3="6.422932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.19401007" y3="0.58934282" z3="6.10168836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2263299" y3="-0.72610969" z3="4.45370907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.76564645" y3="-0.49171514" z3="4.00985721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.94985006" y3="-0.03136107" z3="3.98321196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59724744" y3="-2.16853743" z3="4.10886376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61889279" y3="-2.36819975" z3="4.48036162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05909306" y3="-2.84844758" z3="4.6815919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50873755" y3="-2.51923972" z3="2.61955432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70211572" y3="-3.60235009" z3="2.49446351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.526994" y3="-2.35148001" z3="2.26121704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47734285" y3="-1.74202212" z3="1.726901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51981214" y3="-1.87287246" z3="2.07321781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26088792" y3="-0.65853633" z3="1.73667786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42276312" y3="-2.08506626" z3="0.67709031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90067857" y3="-2.72950747" z3="7.70205629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48091788" y3="-0.64730898" z3="6.70795366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3497329" y3="-0.03336598" z3="6.44906705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01678234" y3="-1.93009842" z3="7.90275327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47937456" y3="0.56980174" z3="11.89268022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03302239" y3="0.93482225" z3="12.8011924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.89969216" y3="-0.42646271" z3="12.11161133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.32949976" y3="1.23422837" z3="11.67114507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48283301" y3="0.49624182" z3="10.70841474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.91136382" y3="1.49952961" z3="10.51701568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33839423" y3="-0.15261579" z3="10.97477411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14636457" y3="-0.05602102" z3="9.41866696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.62167443" y3="-1.02916375" z3="9.6270934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.63997945" y3="-0.25250194" z3="8.67292406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1705898" y3="0.8826912" z3="8.81330736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23322824" y3="1.15336566" z3="9.34661473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79376468" y3="1.5142205" z3="7.9711189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5338,-1.6715,10.8187;-3.1886,-.7473,10.3229;-3.2498,-1.6162,11.8862;-4.6394,-1.694,10.766;-2.9309,-2.9044,10.1522;-3.2493,-3.8246,10.6831;-1.8293,-2.8702,10.2085;-3.3153,-3.0551,8.6791;-4.4117,-3.1914,8.5993;-2.814,-3.9487,8.2672;-1.706,-1.8305,7.4186;-.1901,-.4486,5.9708;.5649,-1.1193,6.4229;.194,.5893,6.1017;-.2263,-.7261,4.4537;.7656,-.4917,4.0099;-.9499,-.0314,3.9832;-.5972,-2.1685,4.1089;-1.6189,-2.3682,4.4804;.0591,-2.8484,4.6816;-.5087,-2.5192,2.6196;-.7021,-3.6024,2.4945;.527,-2.3515,2.2612;-1.4773,-1.742,1.7269;-2.5198,-1.8729,2.0732;-1.2609,-.6585,1.7367;-1.4228,-2.0851,.6771;-.9007,-2.7295,7.7021;-1.4809,-.6473,6.708;-2.3497,-.0334,6.4491;-3.0168,-1.9301,7.9028;-.4794,.5698,11.8927;.033,.9348,12.8012;-.8997,-.4265,12.1116;-1.3295,1.2342,11.6711;.4828,.4962,10.7084;.9114,1.4995,10.517;1.3384,-.1526,10.9748;-.1464,-.056,9.4187;-.6217,-1.0292,9.6271;.64,-.2525,8.6729;-1.1706,.8827,8.8133;-2.2332,1.1534,9.3466;-.7938,1.5142,7.9711;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604643318339</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">0.001296401093 0.000374724075 0.036420443107 0.008703901616</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="126">-0.000221747 0.000018459 0.000182816 0.000240810 0.000291220 0.000437117 0.000544482 0.001404202 0.001694361 0.001838520 0.002461308 0.003070091 0.003472697 0.004183771 0.004851130 0.005477007 0.006286041 0.007169224 0.007813539 0.008601692 0.011165857 0.011710197 0.012631785 0.018677260 0.020295618 0.020829138 0.024683382 0.026928313 0.030806850 0.032031827 0.033182400 0.034232727 0.034403655 0.036316417 0.040446562 0.044624644 0.046470480 0.046823099 0.047899141 0.051225567 0.052083225 0.052316368 0.054698932 0.057963784 0.059300991 0.059621523 0.067272501 0.068507614 0.070965366 0.072474415 0.074323081 0.077172927 0.077483143 0.079528972 0.081866962 0.082872125 0.090286018 0.097374188 0.098821349 0.100180291 0.106257990 0.109194632 0.113261385 0.113552563 0.115368458 0.129647388 0.135000654 0.136359698 0.138005006 0.139339880 0.146910714 0.156134922 0.162417273 0.168854165 0.171948419 0.175790863 0.178725432 0.187984591 0.195973679 0.202838614 0.209815102 0.218141363 0.232972817 0.249353283 0.252029977 0.291711356 0.309558723 0.341976791 0.380025781 0.415637600 0.430457921 0.474712713 0.505458096 0.543615127 0.586871438 0.611752854 0.623254940 0.661048472 0.734345132 0.737107562 0.750489990 0.755109958 0.770712947 0.777921282 0.780752410 0.784909457 0.786494640 0.797471193 0.805421445 0.814281403 0.821245221 0.824554550 0.846508951 0.847346959 0.849812416 0.864546845 0.891977456 0.899532489 0.900754693 0.904182096 0.914964677 0.918439976 0.933614949 0.971616373 1.446448305 1.544528584</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="-3.53386004" y3="-1.66263163" z3="10.82398269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18812947" y3="-0.73930307" z3="10.32707306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24957382" y3="-1.6065043" z3="11.89128052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63944171" y3="-1.68470139" z3="10.77178089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93176691" y3="-2.89635116" z3="10.15852021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24970533" y3="-3.81568592" z3="10.69086119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83025289" y3="-2.86225484" z3="10.21460304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31747416" y3="-3.04952779" z3="8.6860883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41367024" y3="-3.18723753" z3="8.60818737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81581765" y3="-3.94313382" z3="8.27471603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71280085" y3="-1.82519039" z3="7.41925098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20195328" y3="-0.4386569" z3="5.9689227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55689879" y3="-1.1045047" z3="6.42173104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.17710903" y3="0.60133557" z3="6.09695584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.23792814" y3="-0.71985647" z3="4.45282303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.75098133" y3="-0.47524702" z3="4.00701757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.97002826" y3="-0.03387321" z3="3.98228611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.5929978" y3="-2.16762036" z3="4.11144803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61364393" y3="-2.37794965" z3="4.48188506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.070094" y3="-2.83972187" z3="4.68678308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.49762693" y3="-2.52069592" z3="2.62322491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.68327945" y3="-3.60509798" z3="2.50034561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53796536" y3="-2.34680193" z3="2.2675846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46770435" y3="-1.7514108" z3="1.725594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50883569" y3="-1.88352691" z3="2.07096515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25420794" y3="-0.66892471" z3="1.73081377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.41075538" y3="-2.09760827" z3="0.67738817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90607387" y3="-2.72391179" z3="7.69974182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49043817" y3="-0.63994101" z3="6.70931107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.36079086" y3="-0.02751046" z3="6.45315185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0214935" y3="-1.92559052" z3="7.90732884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4781467" y3="0.54909989" z3="11.88772934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03518195" y3="0.89840181" z3="12.80557312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.9047037" y3="-0.45143433" z3="12.09058215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.32472409" y3="1.22152125" z3="11.67125359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48493606" y3="0.48727138" z3="10.70331431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.91366568" y3="1.49292406" z3="10.52081767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.33990269" y3="-0.16446946" z3="10.96548695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14196652" y3="-0.05609182" z3="9.4084913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.61181155" y3="-1.03340691" z3="9.60994587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64483813" y3="-0.24332284" z3="8.66027246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17030269" y3="0.88126501" z3="8.80935759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23041856" y3="1.14967103" z3="9.34910449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79761034" y3="1.51759502" z3="7.96879748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5339,-1.6626,10.824;-3.1881,-.7393,10.3271;-3.2496,-1.6065,11.8913;-4.6394,-1.6847,10.7718;-2.9318,-2.8964,10.1585;-3.2497,-3.8157,10.6909;-1.8303,-2.8623,10.2146;-3.3175,-3.0495,8.6861;-4.4137,-3.1872,8.6082;-2.8158,-3.9431,8.2747;-1.7128,-1.8252,7.4193;-.202,-.4387,5.9689;.5569,-1.1045,6.4217;.1771,.6013,6.097;-.2379,-.7199,4.4528;.751,-.4752,4.007;-.97,-.0339,3.9823;-.593,-2.1676,4.1114;-1.6136,-2.3779,4.4819;.0701,-2.8397,4.6868;-.4976,-2.5207,2.6232;-.6833,-3.6051,2.5003;.538,-2.3468,2.2676;-1.4677,-1.7514,1.7256;-2.5088,-1.8835,2.071;-1.2542,-.6689,1.7308;-1.4108,-2.0976,.6774;-.9061,-2.7239,7.6997;-1.4904,-.6399,6.7093;-2.3608,-.0275,6.4532;-3.0215,-1.9256,7.9073;-.4781,.5491,11.8877;.0352,.8984,12.8056;-.9047,-.4514,12.0906;-1.3247,1.2215,11.6713;.4849,.4873,10.7033;.9137,1.4929,10.5208;1.3399,-.1645,10.9655;-.142,-.0561,9.4085;-.6118,-1.0334,9.6099;.6448,-.2433,8.6603;-1.1703,.8813,8.8094;-2.2304,1.1497,9.3491;-.7976,1.5176,7.9688;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604642524015</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">0.001747415775 0.000419237446 0.026026892438 0.008703379537</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="126">-0.000881381 -0.000027347 0.000159585 0.000244038 0.000355783 0.000502448 0.000594760 0.001413508 0.001695626 0.001940225 0.002467995 0.003084536 0.003537498 0.004203602 0.004897613 0.005516719 0.006326850 0.007171261 0.008209589 0.008649618 0.011185990 0.011709915 0.012635078 0.018676489 0.020306472 0.020830997 0.024685150 0.026928053 0.030808505 0.032035363 0.033206609 0.034233423 0.034403547 0.036319579 0.040446410 0.044624968 0.046471318 0.046823189 0.047904597 0.051225528 0.052083313 0.052313885 0.054699453 0.057966716 0.059300984 0.059619803 0.067272795 0.068501953 0.070967437 0.072472680 0.074322310 0.077173162 0.077495276 0.079536740 0.081884180 0.082887328 0.090286016 0.097392088 0.098821250 0.100179909 0.106260699 0.109196441 0.113263349 0.113584459 0.115368467 0.129648803 0.135003701 0.136362174 0.138003264 0.139406352 0.146927443 0.156148744 0.162419513 0.168854737 0.171971161 0.175828496 0.178725785 0.188016863 0.195996910 0.202906659 0.209881920 0.218175911 0.232960331 0.249426810 0.252035156 0.291713954 0.309560782 0.341982862 0.380276185 0.415656325 0.430486463 0.474758393 0.505696842 0.543614706 0.586874436 0.611763654 0.623319545 0.661048513 0.734431615 0.737108736 0.750531196 0.755113969 0.770730180 0.777963542 0.780869767 0.784929622 0.786605509 0.797471372 0.805421950 0.814283439 0.821245582 0.824595546 0.846515443 0.847347031 0.849833585 0.864551274 0.891979673 0.899559146 0.900760897 0.904205684 0.914973634 0.918438783 0.933618908 0.971661981 1.446448151 1.544531767</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="-3.53316181" y3="-1.66446077" z3="10.81902296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18507201" y3="-0.74174653" z3="10.32213528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24884893" y3="-1.60968092" z3="11.88639031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63885851" y3="-1.68457312" z3="10.76671042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93322555" y3="-2.89910832" z3="10.15314432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25289063" y3="-3.8185888" z3="10.68446983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83151019" y3="-2.86688286" z3="10.20987904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31881617" y3="-3.05048473" z3="8.68059088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41529228" y3="-3.18507865" z3="8.60158956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81891772" y3="-3.94450905" z3="8.2679257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71105508" y3="-1.82610288" z3="7.41891499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19573309" y3="-0.43544239" z3="5.97755419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56378234" y3="-1.10308048" z3="6.42656593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.18614874" y3="0.60357542" z3="6.10369217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24065342" y3="-0.71717794" z3="4.46200736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.74585349" y3="-0.47385072" z3="4.01095999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.97425881" y3="-0.03072149" z3="3.99496817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59869226" y3="-2.1641423" z3="4.12222514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61949612" y3="-2.37220498" z3="4.49181695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06227484" y3="-2.83673636" z3="4.69839081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50337527" y3="-2.51860203" z3="2.63431582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69304799" y3="-3.6022643" z3="2.51182609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53313602" y3="-2.34903198" z3="2.27994831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46963344" y3="-1.74630475" z3="1.7352918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51225526" y3="-1.87466476" z3="2.07999371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25257613" y3="-0.66364569" z3="1.73967941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.41313167" y3="-2.09441869" z3="0.68744789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9081967" y3="-2.73050317" z3="7.68826058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48102398" y3="-0.63128816" z3="6.72550021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3511089" y3="-0.01915778" z3="6.46674707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01960111" y3="-1.92581518" z3="7.90320983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48308496" y3="0.55450198" z3="11.87631837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02126911" y3="0.92368751" z3="12.78820322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.8941078" y3="-0.44686354" z3="12.09256031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33846904" y3="1.21050747" z3="11.65002027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48419827" y3="0.49214908" z3="10.69546878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.90104032" y3="1.50052906" z3="10.50417937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.34617962" y3="-0.14610142" z3="10.96583346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13407039" y3="-0.06849553" z3="9.40438156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59868503" y3="-1.04669863" z3="9.61407041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65768805" y3="-0.25700293" z3="8.66200963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16639456" y3="0.85859552" z3="8.79281816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23087708" y3="1.12364414" z3="9.32874407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78381074" y3="1.50762899" z3="7.96659051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5332,-1.6645,10.819;-3.1851,-.7417,10.3221;-3.2488,-1.6097,11.8864;-4.6389,-1.6846,10.7667;-2.9332,-2.8991,10.1531;-3.2529,-3.8186,10.6845;-1.8315,-2.8669,10.2099;-3.3188,-3.0505,8.6806;-4.4153,-3.1851,8.6016;-2.8189,-3.9445,8.2679;-1.7111,-1.8261,7.4189;-.1957,-.4354,5.9776;.5638,-1.1031,6.4266;.1861,.6036,6.1037;-.2407,-.7172,4.462;.7459,-.4739,4.011;-.9743,-.0307,3.995;-.5987,-2.1641,4.1222;-1.6195,-2.3722,4.4918;.0623,-2.8367,4.6984;-.5034,-2.5186,2.6343;-.693,-3.6023,2.5118;.5331,-2.349,2.2799;-1.4696,-1.7463,1.7353;-2.5123,-1.8747,2.08;-1.2526,-.6636,1.7397;-1.4131,-2.0944,.6874;-.9082,-2.7305,7.6883;-1.481,-.6313,6.7255;-2.3511,-.0192,6.4667;-3.0196,-1.9258,7.9032;-.4831,.5545,11.8763;.0213,.9237,12.7882;-.8941,-.4469,12.0926;-1.3385,1.2105,11.65;.4842,.4921,10.6955;.901,1.5005,10.5042;1.3462,-.1461,10.9658;-.1341,-.0685,9.4044;-.5987,-1.0467,9.6141;.6577,-.257,8.662;-1.1664,.8586,8.7928;-2.2309,1.1236,9.3287;-.7838,1.5076,7.9666;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604797213910</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">0.001283655834 0.000253578219 0.030315934853 0.008704323855</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="126">-0.001374544 0.000057848 0.000161091 0.000245282 0.000355475 0.000512515 0.000654414 0.001413262 0.001697588 0.001936555 0.002469258 0.003093538 0.003554427 0.004207642 0.004916312 0.005529907 0.006336444 0.007172632 0.008331845 0.008741006 0.011200606 0.011709726 0.012636443 0.018676756 0.020320311 0.020831377 0.024685007 0.026928632 0.030808288 0.032038791 0.033213745 0.034233496 0.034404137 0.036320633 0.040446291 0.044624868 0.046470920 0.046822996 0.047904126 0.051226429 0.052083599 0.052316178 0.054699470 0.057966333 0.059301989 0.059621323 0.067273014 0.068502629 0.070974617 0.072473118 0.074324589 0.077174266 0.077495018 0.079537247 0.081886678 0.082893546 0.090286712 0.097399681 0.098821492 0.100180313 0.106260977 0.109198050 0.113265345 0.113619073 0.115368861 0.129649418 0.135004344 0.136364413 0.138004764 0.139411730 0.146938005 0.156149401 0.162422531 0.168855459 0.171969340 0.175832817 0.178726636 0.188016267 0.195995778 0.202936207 0.209927826 0.218173716 0.232964329 0.249584942 0.252037874 0.291719328 0.309562620 0.341984679 0.380382259 0.415655798 0.430487687 0.474766616 0.505703648 0.543616132 0.586876090 0.611764339 0.623324974 0.661049206 0.734458523 0.737108832 0.750533521 0.755115186 0.770731003 0.777973258 0.780938226 0.784929362 0.786683634 0.797471545 0.805421947 0.814285801 0.821245811 0.824644812 0.846521286 0.847347114 0.849843737 0.864556540 0.891980342 0.899561738 0.900763715 0.904209677 0.914986356 0.918449045 0.933619192 0.971688975 1.446449312 1.544532067</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="-3.53570467" y3="-1.66105523" z3="10.81597299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18547355" y3="-0.738409" z3="10.32023982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25262438" y3="-1.60775741" z3="11.88374047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64140126" y3="-1.68041976" z3="10.7621946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93562651" y3="-2.89540981" z3="10.14950394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25505318" y3="-3.81558321" z3="10.6798305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8338465" y3="-2.86286859" z3="10.20690082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32112398" y3="-3.04588277" z3="8.67695608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41763078" y3="-3.17976247" z3="8.59755137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82128575" y3="-3.93941915" z3="8.26304349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71387841" y3="-1.82011092" z3="7.41717963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19837917" y3="-0.42336582" z3="5.98141821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56454522" y3="-1.08828883" z3="6.42896386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.18179682" y3="0.61672518" z3="6.10311803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24978703" y3="-0.71043086" z3="4.4672668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73410291" y3="-0.46630692" z3="4.01148593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.98695978" y3="-0.02754924" z3="4.00074982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6049975" y3="-2.15948829" z3="4.13389697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62711108" y3="-2.36721458" z3="4.49925751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05375791" y3="-2.82791889" z3="4.71721874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50192412" y3="-2.52135787" z3="2.6482944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.6880609" y3="-3.60590268" z3="2.52998984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53578647" y3="-2.35079119" z3="2.29878678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46549785" y3="-1.75590875" z3="1.74062865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51002162" y3="-1.88814939" z3="2.07792385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25325103" y3="-0.67238748" z3="1.74446448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39980781" y3="-2.10628495" z3="0.69386023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91293922" y3="-2.72868282" z3="7.67665881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48008438" y3="-0.6173724" z3="6.7363596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35045002" y3="-0.00479302" z3="6.47914832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02137023" y3="-1.92027657" z3="7.90065737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48210041" y3="0.53817701" z3="11.86933359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01526272" y3="0.91422205" z3="12.78236117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.87651177" y3="-0.4701298" z3="12.0837807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34795568" y3="1.18019153" z3="11.64311908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48693313" y3="0.49267333" z3="10.68871618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.88886507" y3="1.50816867" z3="10.50027197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35856079" y3="-0.13427199" z3="10.95798648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1230072" y3="-0.07356667" z3="9.39559671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57751859" y3="-1.05715151" z3="9.60363448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.67307323" y3="-0.25326708" z3="8.65518403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16287821" y3="0.8457334" z3="8.7825681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22864742" y3="1.10484627" z3="9.32094105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77813605" y3="1.50618577" z3="7.96561738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5357,-1.6611,10.816;-3.1855,-.7384,10.3202;-3.2526,-1.6078,11.8837;-4.6414,-1.6804,10.7622;-2.9356,-2.8954,10.1495;-3.2551,-3.8156,10.6798;-1.8338,-2.8629,10.2069;-3.3211,-3.0459,8.677;-4.4176,-3.1798,8.5976;-2.8213,-3.9394,8.263;-1.7139,-1.8201,7.4172;-.1984,-.4234,5.9814;.5645,-1.0883,6.429;.1818,.6167,6.1031;-.2498,-.7104,4.4673;.7341,-.4663,4.0115;-.987,-.0275,4.0007;-.605,-2.1595,4.1339;-1.6271,-2.3672,4.4993;.0538,-2.8279,4.7172;-.5019,-2.5214,2.6483;-.6881,-3.6059,2.53;.5358,-2.3508,2.2988;-1.4655,-1.7559,1.7406;-2.51,-1.8881,2.0779;-1.2533,-.6724,1.7445;-1.3998,-2.1063,.6939;-.9129,-2.7287,7.6767;-1.4801,-.6174,6.7364;-2.3505,-.0048,6.4791;-3.0214,-1.9203,7.9007;-.4821,.5382,11.8693;.0153,.9142,12.7824;-.8765,-.4701,12.0838;-1.348,1.1802,11.6431;.4869,.4927,10.6887;.8889,1.5082,10.5003;1.3586,-.1343,10.958;-.123,-.0736,9.3956;-.5775,-1.0572,9.6036;.6731,-.2533,8.6552;-1.1629,.8457,8.7826;-2.2286,1.1048,9.3209;-.7781,1.5062,7.9656;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604909294916</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">0.001217097771 0.000253373417 0.034464951883 0.008703498272</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="126">-0.001204702 -0.000022808 0.000189721 0.000262915 0.000358476 0.000512218 0.000617512 0.001413338 0.001697757 0.001951911 0.002472332 0.003097010 0.003550968 0.004207515 0.004917639 0.005529104 0.006337344 0.007172657 0.008341102 0.008744714 0.011204420 0.011712801 0.012636471 0.018676409 0.020319073 0.020831773 0.024685511 0.026929211 0.030808830 0.032038886 0.033213314 0.034236165 0.034404285 0.036320559 0.040446594 0.044625148 0.046471645 0.046823194 0.047906143 0.051226482 0.052083787 0.052316579 0.054699612 0.057968894 0.059304066 0.059630931 0.067273029 0.068503650 0.070976418 0.072473586 0.074327434 0.077180091 0.077497624 0.079538013 0.081888784 0.082895603 0.090290217 0.097400008 0.098822416 0.100180814 0.106261030 0.109198312 0.113265110 0.113614054 0.115368930 0.129649527 0.135005756 0.136364477 0.138003933 0.139431295 0.146935917 0.156150645 0.162421489 0.168855341 0.171975593 0.175839409 0.178726907 0.188018546 0.195997481 0.202937507 0.209927073 0.218172657 0.232976402 0.249605833 0.252040919 0.291717718 0.309563234 0.341985581 0.380385393 0.415656295 0.430489969 0.474767469 0.505734796 0.543616367 0.586876412 0.611764928 0.623343657 0.661049389 0.734461342 0.737108445 0.750535200 0.755115382 0.770731515 0.777973726 0.780937416 0.784928953 0.786696642 0.797471566 0.805421915 0.814285716 0.821246130 0.824649205 0.846524433 0.847347176 0.849844683 0.864556055 0.891980969 0.899565056 0.900764229 0.904210118 0.914988957 0.918449296 0.933620696 0.971696063 1.446468420 1.544533512</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="-3.53814726" y3="-1.6527568" z3="10.81907126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18813464" y3="-0.72972641" z3="10.32376701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25558995" y3="-1.5996091" z3="11.88699063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64379337" y3="-1.67332963" z3="10.76470709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93643631" y3="-2.88623466" z3="10.1524796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25367437" y3="-3.80687134" z3="10.68331774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83468573" y3="-2.85159016" z3="10.20932539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32299697" y3="-3.03834014" z3="8.68035402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4193413" y3="-3.17401751" z3="8.60217043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82218254" y3="-3.9312834" z3="8.2665077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71984129" y3="-1.81237431" z3="7.41553578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20776021" y3="-0.4130545" z3="5.97778849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5583676" y3="-1.07333568" z3="6.42659261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.16796135" y3="0.62890305" z3="6.09574277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25840632" y3="-0.70540088" z3="4.46463913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.72418388" y3="-0.45733745" z3="4.00808293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.9992204" y3="-0.02808721" z3="3.9957575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60510526" y3="-2.1576681" z3="4.13575795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62771846" y3="-2.36932365" z3="4.49780984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05462068" y3="-2.82056955" z3="4.72410127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4934153" y3="-2.52499015" z3="2.65207928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.67198865" y3="-3.61118602" z3="2.5374315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54473324" y3="-2.34919399" z3="2.30649792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45781121" y3="-1.76968375" z3="1.73692489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50310809" y3="-1.91026244" z3="2.06828827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25494336" y3="-0.6843264" z3="1.73947677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38307604" y3="-2.12179665" z3="0.69141257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91801987" y3="-2.72080502" z3="7.6720171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48750015" y3="-0.60865188" z3="6.73578702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35852498" y3="0.00391279" z3="6.48148239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02566101" y3="-1.91279657" z3="7.90276923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47845722" y3="0.5122078" z3="11.87003313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01548382" y3="0.88776842" z3="12.78395541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.86104193" y3="-0.50122664" z3="12.07888488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.35106232" y3="1.14572658" z3="11.64926194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48923265" y3="0.48618912" z3="10.68759434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.88150966" y3="1.5064488" z3="10.50750942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36636201" y3="-0.13426897" z3="10.95020402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11746135" y3="-0.07226938" z3="9.39008601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56596924" y3="-1.06048834" z3="9.58922716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.67951055" y3="-0.24068389" z3="8.6479563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16196202" y3="0.8466931" z3="8.78414611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22511348" y3="1.10368541" z3="9.32959039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78217664" y3="1.51139281" z3="7.96925766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5381,-1.6528,10.8191;-3.1881,-.7297,10.3238;-3.2556,-1.5996,11.887;-4.6438,-1.6733,10.7647;-2.9364,-2.8862,10.1525;-3.2537,-3.8069,10.6833;-1.8347,-2.8516,10.2093;-3.323,-3.0383,8.6804;-4.4193,-3.174,8.6022;-2.8222,-3.9313,8.2665;-1.7198,-1.8124,7.4155;-.2078,-.4131,5.9778;.5584,-1.0733,6.4266;.168,.6289,6.0957;-.2584,-.7054,4.4646;.7242,-.4573,4.0081;-.9992,-.0281,3.9958;-.6051,-2.1577,4.1358;-1.6277,-2.3693,4.4978;.0546,-2.8206,4.7241;-.4934,-2.525,2.6521;-.672,-3.6112,2.5374;.5447,-2.3492,2.3065;-1.4578,-1.7697,1.7369;-2.5031,-1.9103,2.0683;-1.2549,-.6843,1.7395;-1.3831,-2.1218,.6914;-.918,-2.7208,7.672;-1.4875,-.6087,6.7358;-2.3585,.0039,6.4815;-3.0257,-1.9128,7.9028;-.4785,.5122,11.87;.0155,.8878,12.784;-.861,-.5012,12.0789;-1.3511,1.1457,11.6493;.4892,.4862,10.6876;.8815,1.5064,10.5075;1.3664,-.1343,10.9502;-.1175,-.0723,9.3901;-.566,-1.0605,9.5892;.6795,-.2407,8.648;-1.162,.8467,8.7841;-2.2251,1.1037,9.3296;-.7822,1.5114,7.9693;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604904594535</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">0.001842979695 0.000398486619 0.027136244471 0.008704218364</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="126">-0.000662043 -0.000067260 0.000163389 0.000250189 0.000355161 0.000510210 0.000681768 0.001419169 0.001697658 0.001949290 0.002472033 0.003101739 0.003554139 0.004209101 0.004928749 0.005533450 0.006338584 0.007173710 0.008342622 0.008780304 0.011203237 0.011712205 0.012636619 0.018675983 0.020336833 0.020831886 0.024685415 0.026929511 0.030808895 0.032041131 0.033213469 0.034237623 0.034405432 0.036320313 0.040446446 0.044625033 0.046471701 0.046822990 0.047907753 0.051226123 0.052083643 0.052314040 0.054700579 0.057969556 0.059302126 0.059626550 0.067272948 0.068502051 0.070987854 0.072474119 0.074328222 0.077180943 0.077497039 0.079537545 0.081889366 0.082896086 0.090290947 0.097400447 0.098822864 0.100181596 0.106261378 0.109197369 0.113265846 0.113622864 0.115369047 0.129649514 0.135005216 0.136365751 0.138003006 0.139430879 0.146935129 0.156155425 0.162422758 0.168854400 0.171974217 0.175837601 0.178727148 0.188018189 0.195999388 0.202951158 0.209938511 0.218163119 0.232968520 0.249714049 0.252042652 0.291715325 0.309565276 0.341986030 0.380486061 0.415656694 0.430489168 0.474771259 0.505770255 0.543616267 0.586877366 0.611766583 0.623343335 0.661049420 0.734556172 0.737111223 0.750535902 0.755115550 0.770731629 0.777991324 0.781022516 0.784929389 0.786834204 0.797471708 0.805421949 0.814286456 0.821246073 0.824698947 0.846524066 0.847347178 0.849845597 0.864553322 0.891980900 0.899566176 0.900764618 0.904211355 0.914997372 0.918448981 0.933620687 0.971700624 1.446493454 1.544534816</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="-3.53579928" y3="-1.65488994" z3="10.82363193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18811491" y3="-0.73127323" z3="10.32832483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25249575" y3="-1.60095548" z3="11.89129414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64140515" y3="-1.67630647" z3="10.77024607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93361382" y3="-2.88787098" z3="10.15662612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24961172" y3="-3.80819997" z3="10.68867822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83185016" y3="-2.85243744" z3="10.21171707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32168296" y3="-3.04085118" z3="8.68485437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41798703" y3="-3.17929368" z3="8.60862349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81950552" y3="-3.93330305" z3="8.27149148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72173566" y3="-1.81492972" z3="7.41447618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21256173" y3="-0.41923983" z3="5.97102593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5523482" y3="-1.07854283" z3="6.42366827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.16082288" y3="0.62353594" z3="6.09219171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25352191" y3="-0.70953227" z3="4.45695338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73186733" y3="-0.46193803" z3="4.00650067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.99101292" y3="-0.03097053" z3="3.9847242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6002515" y3="-2.16068764" z3="4.12465801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62257739" y3="-2.37207658" z3="4.48685709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05940245" y3="-2.82473459" z3="4.71169931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4895586" y3="-2.52514047" z3="2.64019154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.66861384" y3="-3.61104684" z3="2.52341674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54831842" y3="-2.34901532" z3="2.29400584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45480687" y3="-1.76806848" z3="1.7273561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49986442" y3="-1.90854412" z3="2.05979449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25138522" y3="-0.68277361" z3="1.73144748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38131107" y3="-2.11889525" z3="0.68116994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91674356" y3="-2.71881604" z3="7.68005322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49632862" y3="-0.62087464" z3="6.71977467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.36720174" y3="-0.00637127" z3="6.46865353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02786068" y3="-1.91557493" z3="7.90645575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47251129" y3="0.52089473" z3="11.88075523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03197047" y3="0.88667904" z3="12.79338768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.86998395" y3="-0.48647923" z3="12.08932263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33634718" y3="1.16894866" z3="11.66610489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.489227" y3="0.4809694" z3="10.69437221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.89886125" y3="1.49477688" z3="10.51591372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.3566359" y3="-0.15652442" z3="10.9515051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13139944" y3="-0.06513693" z3="9.39771735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.59144352" y3="-1.04808108" z3="9.59505828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65885138" y3="-0.24186248" z3="8.65085948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16748447" y3="0.86740092" z3="8.80052848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22740475" y3="1.13082165" z3="9.34517814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79269042" y3="1.51659865" z3="7.97110786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5358,-1.6549,10.8236;-3.1881,-.7313,10.3283;-3.2525,-1.601,11.8913;-4.6414,-1.6763,10.7702;-2.9336,-2.8879,10.1566;-3.2496,-3.8082,10.6887;-1.8319,-2.8524,10.2117;-3.3217,-3.0409,8.6849;-4.418,-3.1793,8.6086;-2.8195,-3.9333,8.2715;-1.7217,-1.8149,7.4145;-.2126,-.4192,5.971;.5523,-1.0785,6.4237;.1608,.6235,6.0922;-.2535,-.7095,4.457;.7319,-.4619,4.0065;-.991,-.031,3.9847;-.6003,-2.1607,4.1247;-1.6226,-2.3721,4.4869;.0594,-2.8247,4.7117;-.4896,-2.5251,2.6402;-.6686,-3.611,2.5234;.5483,-2.349,2.294;-1.4548,-1.7681,1.7274;-2.4999,-1.9085,2.0598;-1.2514,-.6828,1.7314;-1.3813,-2.1189,.6812;-.9167,-2.7188,7.6801;-1.4963,-.6209,6.7198;-2.3672,-.0064,6.4687;-3.0279,-1.9156,7.9065;-.4725,.5209,11.8808;.032,.8867,12.7934;-.87,-.4865,12.0893;-1.3363,1.1689,11.6661;.4892,.481,10.6944;.8989,1.4948,10.5159;1.3566,-.1565,10.9515;-.1314,-.0651,9.3977;-.5914,-1.0481,9.5951;.6589,-.2419,8.6509;-1.1675,.8674,8.8005;-2.2274,1.1308,9.3452;-.7927,1.5166,7.9711;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604764564806</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">0.001433844434 0.000358087122 0.031580489562 0.008703562464</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="126">-0.000235398 -0.000051543 0.000175422 0.000248933 0.000356831 0.000508891 0.000687277 0.001425775 0.001699701 0.001965034 0.002473835 0.003102627 0.003553762 0.004208833 0.004927171 0.005538924 0.006340913 0.007173608 0.008337789 0.008768109 0.011206233 0.011712111 0.012637252 0.018678575 0.020331938 0.020832764 0.024685883 0.026928941 0.030809066 0.032039868 0.033212584 0.034237703 0.034404599 0.036320033 0.040446310 0.044625038 0.046471731 0.046823139 0.047907747 0.051226824 0.052083570 0.052314113 0.054700706 0.057969297 0.059301442 0.059625620 0.067272923 0.068503103 0.070989630 0.072474555 0.074331310 0.077179110 0.077498942 0.079537651 0.081888020 0.082892721 0.090290368 0.097397216 0.098822807 0.100181481 0.106261047 0.109197307 0.113264725 0.113614817 0.115368903 0.129649413 0.135005311 0.136365562 0.138002897 0.139448459 0.146937131 0.156151047 0.162421728 0.168854198 0.171974505 0.175834687 0.178726959 0.188019093 0.196000615 0.202947495 0.209930022 0.218166482 0.232968959 0.249650689 0.252038943 0.291715530 0.309564264 0.341985455 0.380471224 0.415657413 0.430490263 0.474773235 0.505789671 0.543615868 0.586877241 0.611766602 0.623358335 0.661049244 0.734555139 0.737110832 0.750537981 0.755115495 0.770732112 0.777990595 0.781020889 0.784929618 0.786822631 0.797471683 0.805422039 0.814286253 0.821246133 0.824694384 0.846537563 0.847347149 0.849847363 0.864554238 0.891980490 0.899575246 0.900766790 0.904213295 0.915004796 0.918448236 0.933623249 0.971726194 1.446496253 1.544536695</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="-3.53192863" y3="-1.65463235" z3="10.82843208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18503593" y3="-0.73033972" z3="10.33442006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24668561" y3="-1.60221386" z3="11.8956363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.63758262" y3="-1.6744538" z3="10.77695111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93247977" y3="-2.88719603" z3="10.15839021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24894601" y3="-3.80738605" z3="10.69015345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83069579" y3="-2.85353136" z3="10.21096241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3234029" y3="-3.03760921" z3="8.68701863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41983368" y3="-3.17652951" z3="8.61334817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82213228" y3="-3.92981587" z3="8.27210355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72533358" y3="-1.81180451" z3="7.41290577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22037036" y3="-0.41985157" z3="5.96106622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54449712" y3="-1.07636546" z3="6.4176899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1494318" y3="0.6242131" z3="6.08290043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25289812" y3="-0.71102055" z3="4.44682416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73369123" y3="-0.45947048" z3="4.00020227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.99154556" y3="-0.03566894" z3="3.97114521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59280729" y3="-2.16441879" z3="4.11524177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61398451" y3="-2.38084599" z3="4.47942482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07131023" y3="-2.82534398" z3="4.70178121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.48233324" y3="-2.52872773" z3="2.6309195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.65593678" y3="-3.61575186" z3="2.51510466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.55412554" y3="-2.34708577" z3="2.28283011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45275426" y3="-1.77678804" z3="1.71916398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49592223" y3="-1.92163879" z3="2.05372123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25416388" y3="-0.69108056" z3="1.72167786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37994645" y3="-2.12737497" z3="0.67329588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91741727" y3="-2.71153595" z3="7.68826112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50707495" y3="-0.62748735" z3="6.70226575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37733113" y3="-0.01003478" z3="6.45684694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03166606" y3="-1.91202406" z3="7.90951555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46789881" y3="0.5140614" z3="11.89322339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04323463" y3="0.86614049" z3="12.80938349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.87666274" y3="-0.49356954" z3="12.09202266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.32578275" y3="1.17352904" z3="11.68565176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.4904682" y3="0.47587581" z3="10.70399706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.90983224" y3="1.48747473" z3="10.53296295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.35215529" y3="-0.17184382" z3="10.95323782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13958414" y3="-0.05380264" z3="9.4046821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60883048" y3="-1.03425946" z3="9.59447468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64536169" y3="-0.23216697" z3="8.65274772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16834657" y3="0.89270215" z3="8.81935739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2240232" y3="1.16240214" z3="9.3658799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.80113215" y3="1.5266588" z3="7.97455162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5319,-1.6546,10.8284;-3.185,-.7303,10.3344;-3.2467,-1.6022,11.8956;-4.6376,-1.6745,10.777;-2.9325,-2.8872,10.1584;-3.2489,-3.8074,10.6902;-1.8307,-2.8535,10.211;-3.3234,-3.0376,8.687;-4.4198,-3.1765,8.6133;-2.8221,-3.9298,8.2721;-1.7253,-1.8118,7.4129;-.2204,-.4199,5.9611;.5445,-1.0764,6.4177;.1494,.6242,6.0829;-.2529,-.711,4.4468;.7337,-.4595,4.0002;-.9915,-.0357,3.9711;-.5928,-2.1644,4.1152;-1.614,-2.3808,4.4794;.0713,-2.8253,4.7018;-.4823,-2.5287,2.6309;-.6559,-3.6158,2.5151;.5541,-2.3471,2.2828;-1.4528,-1.7768,1.7192;-2.4959,-1.9216,2.0537;-1.2542,-.6911,1.7217;-1.3799,-2.1274,.6733;-.9174,-2.7115,7.6883;-1.5071,-.6275,6.7023;-2.3773,-.01,6.4568;-3.0317,-1.912,7.9095;-.4679,.5141,11.8932;.0432,.8661,12.8094;-.8767,-.4936,12.092;-1.3258,1.1735,11.6857;.4905,.4759,10.704;.9098,1.4875,10.533;1.3522,-.1718,10.9532;-.1396,-.0538,9.4047;-.6088,-1.0343,9.5945;.6454,-.2322,8.6527;-1.1683,.8927,8.8194;-2.224,1.1624,9.3659;-.8011,1.5267,7.9746;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604633424151</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">0.001062698473 0.000235743775 0.032157631130 0.008703754549</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="126">-0.000274849 0.000086448 0.000189858 0.000241737 0.000369302 0.000513012 0.000758419 0.001427238 0.001701643 0.001989734 0.002476457 0.003103509 0.003567079 0.004211843 0.004943686 0.005538896 0.006342374 0.007173668 0.008358330 0.008818722 0.011244524 0.011719104 0.012637783 0.018681810 0.020330812 0.020832675 0.024687500 0.026928661 0.030815143 0.032041723 0.033213907 0.034238006 0.034404999 0.036320369 0.040446299 0.044627084 0.046472320 0.046825622 0.047907173 0.051238058 0.052083574 0.052315983 0.054700840 0.057971288 0.059304609 0.059627514 0.067273192 0.068519129 0.070988192 0.072477808 0.074328622 0.077195281 0.077498251 0.079538515 0.081890399 0.082891736 0.090296187 0.097396660 0.098823328 0.100181660 0.106263063 0.109202417 0.113267394 0.113627014 0.115369000 0.129649498 0.135006830 0.136369884 0.138003915 0.139467597 0.146942334 0.156162068 0.162422378 0.168854212 0.171975264 0.175833881 0.178730752 0.188032262 0.196006410 0.202955106 0.209933403 0.218163432 0.233067300 0.249697510 0.252053618 0.291721180 0.309563987 0.341989858 0.380507565 0.415667611 0.430502740 0.474793507 0.505846673 0.543617917 0.586877811 0.611775922 0.623363095 0.661049837 0.734605718 0.737111211 0.750555957 0.755115602 0.770748098 0.777992659 0.781028265 0.784941067 0.786815566 0.797472780 0.805425696 0.814297971 0.821253805 0.824741186 0.846546727 0.847348172 0.849855105 0.864559476 0.891984763 0.899610211 0.900765946 0.904220068 0.915062747 0.918447051 0.933625033 0.971722292 1.446539400 1.544536633</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="-3.53505515" y3="-1.65067821" z3="10.8281062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.18815489" y3="-0.72583338" z3="10.33464621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.24864885" y3="-1.59985017" z3="11.89507646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64082148" y3="-1.67109295" z3="10.77777799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93560624" y3="-2.8821228" z3="10.15590277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25078716" y3="-3.80354388" z3="10.6864779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83369894" y3="-2.84762477" z3="10.20774174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32805409" y3="-3.03094673" z3="8.68484197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42464809" y3="-3.1685802" z3="8.61182178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.827916" y3="-3.9228915" z3="8.26804846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73098058" y3="-1.80395223" z3="7.41154431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22574874" y3="-0.40770122" z3="5.96399205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54219689" y3="-1.06068871" z3="6.42071852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.14146802" y3="0.63767848" z3="6.08114072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26154025" y3="-0.705102" z3="4.45101976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.72281981" y3="-0.45161078" z3="4.00139151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00360494" y3="-0.03460934" z3="3.97427283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59563893" y3="-2.16080557" z3="4.12481636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61738846" y3="-2.37886133" z3="4.48513087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06767943" y3="-2.81665811" z3="4.7171752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.47687883" y3="-2.53156714" z3="2.64250513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.64491296" y3="-3.61987324" z3="2.53046185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56045238" y3="-2.34687683" z3="2.29877803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4464009" y3="-1.78829386" z3="1.72270531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49108443" y3="-1.93865201" z3="2.05117867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25447192" y3="-0.70110839" z3="1.72348823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.36478636" y3="-2.14208148" z3="0.67818105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92433798" y3="-2.70652154" z3="7.67856989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50960766" y3="-0.61320632" z3="6.71133293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38031511" y3="0.00306828" z3="6.46519815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03596616" y3="-1.9043949" z3="7.90812658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46276099" y3="0.49439363" z3="11.88760778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04426415" y3="0.85046975" z3="12.80438631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.85404931" y3="-0.51937983" z3="12.08382827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33122789" y3="1.1413714" z3="11.68428131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49387087" y3="0.47505481" z3="10.69644268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.89933596" y3="1.49314043" z3="10.53043944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.36476709" y3="-0.16366178" z3="10.94082747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13105717" y3="-0.05615413" z3="9.39534371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.58995335" y3="-1.0413357" z3="9.58298452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65637456" y3="-0.22487399" z3="8.64360936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16863868" y3="0.88202517" z3="8.81131698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22418175" y3="1.14504554" z3="9.36339691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8026667" y3="1.52827484" z3="7.97573865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5351,-1.6507,10.8281;-3.1882,-.7258,10.3346;-3.2486,-1.5999,11.8951;-4.6408,-1.6711,10.7778;-2.9356,-2.8821,10.1559;-3.2508,-3.8035,10.6865;-1.8337,-2.8476,10.2077;-3.3281,-3.0309,8.6848;-4.4246,-3.1686,8.6118;-2.8279,-3.9229,8.268;-1.731,-1.804,7.4115;-.2257,-.4077,5.964;.5422,-1.0607,6.4207;.1415,.6377,6.0811;-.2615,-.7051,4.451;.7228,-.4516,4.0014;-1.0036,-.0346,3.9743;-.5956,-2.1608,4.1248;-1.6174,-2.3789,4.4851;.0677,-2.8167,4.7172;-.4769,-2.5316,2.6425;-.6449,-3.6199,2.5305;.5605,-2.3469,2.2988;-1.4464,-1.7883,1.7227;-2.4911,-1.9387,2.0512;-1.2545,-.7011,1.7235;-1.3648,-2.1421,.6782;-.9243,-2.7065,7.6786;-1.5096,-.6132,6.7113;-2.3803,.0031,6.4652;-3.036,-1.9044,7.9081;-.4628,.4944,11.8876;.0443,.8505,12.8044;-.854,-.5194,12.0838;-1.3312,1.1414,11.6843;.4939,.4751,10.6964;.8993,1.4931,10.5304;1.3648,-.1637,10.9408;-.1311,-.0562,9.3953;-.59,-1.0413,9.583;.6564,-.2249,8.6436;-1.1686,.882,8.8113;-2.2242,1.145,9.3634;-.8027,1.5283,7.9757;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604712464678</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">0.000978148691 0.000197084844 0.035101114552 0.008704541509</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="126">-0.000197456 -0.000040573 0.000200277 0.000268584 0.000398621 0.000512813 0.000748630 0.001427312 0.001701343 0.002057103 0.002481185 0.003101806 0.003573358 0.004214199 0.004947126 0.005535458 0.006354322 0.007173849 0.008357790 0.008811647 0.011266462 0.011727767 0.012639365 0.018689245 0.020346494 0.020832991 0.024693941 0.026929711 0.030819275 0.032041311 0.033213427 0.034238164 0.034405867 0.036320062 0.040446352 0.044628993 0.046473917 0.046828088 0.047908130 0.051248239 0.052083819 0.052330138 0.054700776 0.057972426 0.059313299 0.059639362 0.067273241 0.068515809 0.070991064 0.072481548 0.074337987 0.077205672 0.077498712 0.079540456 0.081902742 0.082897907 0.090300166 0.097397233 0.098823278 0.100181832 0.106262884 0.109204434 0.113268065 0.113628455 0.115369033 0.129649652 0.135006535 0.136372851 0.138003285 0.139492961 0.146951718 0.156167122 0.162421256 0.168854151 0.171976933 0.175835316 0.178731979 0.188037792 0.196006317 0.202960574 0.209936712 0.218176288 0.233084539 0.249721681 0.252060102 0.291724531 0.309565455 0.341990436 0.380509006 0.415671383 0.430502819 0.474801430 0.505872492 0.543621313 0.586878402 0.611777937 0.623403226 0.661050046 0.734607951 0.737110724 0.750556109 0.755115695 0.770747956 0.777998268 0.781032544 0.784940766 0.786832261 0.797472904 0.805425927 0.814300995 0.821253790 0.824743428 0.846567089 0.847348612 0.849856465 0.864558211 0.891986556 0.899645841 0.900766565 0.904225309 0.915099319 0.918448335 0.933627568 0.971759323 1.446542674 1.544541832</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="-3.53848527" y3="-1.64509909" z3="10.83109444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.19234625" y3="-0.71961511" z3="10.33854541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25145333" y3="-1.59511875" z3="11.89795406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.6442993" y3="-1.66652248" z3="10.78121974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.93801147" y3="-2.8750191" z3="10.15690121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25113147" y3="-3.79763647" z3="10.68676208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83603958" y3="-2.83874914" z3="10.20761469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33205321" y3="-3.02287701" z3="8.68613222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42876119" y3="-3.16099216" z3="8.61418742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83191587" y3="-3.9143602" z3="8.26806946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73746448" y3="-1.79524994" z3="7.40999352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23463958" y3="-0.39693646" z3="5.96076807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53604622" y3="-1.04532743" z3="6.41922183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12846109" y3="0.65014328" z3="6.07418994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26955128" y3="-0.69989917" z3="4.44904836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7129961" y3="-0.44137371" z3="3.9979181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01642329" y3="-0.03618368" z3="3.97032489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59381509" y3="-2.15919109" z3="4.12878268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61509656" y3="-2.38259759" z3="4.48760706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07216494" y3="-2.80824499" z3="4.72568211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46850383" y3="-2.53553936" z3="2.64856681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.6294639" y3="-3.62520963" z3="2.54098206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5686286" y3="-2.34583684" z3="2.30710433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43940743" y3="-1.80214451" z3="1.72258369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48405271" y3="-1.95827719" z3="2.04796001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25468372" y3="-0.7138632" z3="1.71989983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.35171556" y3="-2.15890655" z3="0.67977688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93043749" y3="-2.69846404" z3="7.67495771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51727488" y3="-0.60430746" z3="6.7093753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38809434" y3="0.01391867" z3="6.46785492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04132132" y3="-1.89549452" z3="7.91003319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45766578" y3="0.46905058" z3="11.88635646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04575159" y3="0.8255507" z3="12.8042383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.83718299" y3="-0.55119428" z3="12.07592447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33386667" y3="1.10627029" z3="11.68737946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49783526" y3="0.47015139" z3="10.6940382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.89219257" y3="1.49357834" z3="10.53575748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.37533966" y3="-0.15989206" z3="10.93174163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12441827" y3="-0.05441802" z3="9.38929289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57732405" y3="-1.04503768" z3="9.56757431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66331789" y3="-0.21126163" z3="8.63500019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16705535" y3="0.88444017" z3="8.81412717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2207187" y3="1.14339459" z3="9.37133054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.80642149" y3="1.53372985" z3="7.97849971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5385,-1.6451,10.8311;-3.1923,-.7196,10.3385;-3.2515,-1.5951,11.898;-4.6443,-1.6665,10.7812;-2.938,-2.875,10.1569;-3.2511,-3.7976,10.6868;-1.836,-2.8387,10.2076;-3.3321,-3.0229,8.6861;-4.4288,-3.161,8.6142;-2.8319,-3.9144,8.2681;-1.7375,-1.7952,7.41;-.2346,-.3969,5.9608;.536,-1.0453,6.4192;.1285,.6501,6.0742;-.2696,-.6999,4.449;.713,-.4414,3.9979;-1.0164,-.0362,3.9703;-.5938,-2.1592,4.1288;-1.6151,-2.3826,4.4876;.0722,-2.8082,4.7257;-.4685,-2.5355,2.6486;-.6295,-3.6252,2.541;.5686,-2.3458,2.3071;-1.4394,-1.8021,1.7226;-2.4841,-1.9583,2.048;-1.2547,-.7139,1.7199;-1.3517,-2.1589,.6798;-.9304,-2.6985,7.675;-1.5173,-.6043,6.7094;-2.3881,.0139,6.4679;-3.0413,-1.8955,7.91;-.4577,.4691,11.8864;.0458,.8256,12.8042;-.8372,-.5512,12.0759;-1.3339,1.1063,11.6874;.4978,.4702,10.694;.8922,1.4936,10.5358;1.3753,-.1599,10.9317;-.1244,-.0544,9.3893;-.5773,-1.045,9.5676;.6633,-.2113,8.635;-1.1671,.8844,8.8141;-2.2207,1.1434,9.3713;-.8064,1.5337,7.9785;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604724846062</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">0.000947577581 0.000197867303 0.028972520333 0.008703581042</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="126">-0.000288952 0.000104671 0.000200465 0.000260432 0.000382061 0.000512678 0.000749592 0.001427482 0.001702149 0.002064625 0.002481705 0.003101528 0.003570834 0.004213948 0.004948021 0.005538260 0.006359061 0.007176744 0.008356939 0.008823702 0.011268982 0.011730259 0.012640320 0.018689719 0.020373646 0.020833395 0.024696933 0.026929763 0.030820190 0.032041424 0.033213214 0.034238166 0.034405826 0.036319579 0.040446249 0.044629351 0.046474440 0.046829153 0.047907350 0.051254389 0.052084718 0.052341277 0.054702115 0.057972016 0.059312075 0.059637403 0.067273476 0.068511047 0.070999386 0.072484439 0.074338173 0.077209532 0.077498737 0.079541303 0.081907603 0.082899957 0.090301767 0.097402420 0.098823364 0.100181760 0.106262786 0.109204415 0.113267825 0.113628351 0.115369027 0.129649634 0.135006456 0.136374207 0.138002299 0.139507577 0.146955142 0.156166850 0.162420925 0.168854606 0.171976568 0.175835185 0.178733505 0.188039379 0.196006140 0.202962374 0.209936973 0.218170963 0.233100930 0.249732758 0.252065213 0.291723912 0.309567919 0.341990539 0.380527795 0.415673076 0.430502634 0.474804704 0.505874980 0.543623888 0.586879485 0.611780859 0.623428699 0.661049925 0.734620805 0.737112073 0.750555930 0.755115574 0.770748198 0.778006950 0.781047756 0.784939765 0.786879439 0.797472892 0.805425843 0.814306659 0.821255009 0.824745208 0.846599347 0.847348871 0.849857767 0.864554644 0.891989964 0.899668229 0.900766754 0.904228958 0.915118420 0.918447753 0.933629446 0.971759159 1.446557221 1.544543742</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="-3.54053309" y3="-1.64021949" z3="10.83372743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.19561389" y3="-0.71421844" z3="10.3412015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25086396" y3="-1.59122058" z3="11.89991564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64643775" y3="-1.66218598" z3="10.7865463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9410343" y3="-2.86900486" z3="10.15682507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25253455" y3="-3.79235184" z3="10.68625647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.83904114" y3="-2.83220758" z3="10.20539733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33821297" y3="-3.01560945" z3="8.68672744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43509837" y3="-3.15295634" z3="8.6171261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83969859" y3="-3.90706924" z3="8.26696636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74593176" y3="-1.78770642" z3="7.40816584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24503361" y3="-0.38615578" z3="5.9594971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52870766" y3="-1.02980434" z3="6.41958621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11327897" y3="0.66283355" z3="6.06992908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27816946" y3="-0.69414287" z3="4.44882991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70267502" y3="-0.43102706" z3="3.99689671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02913097" y3="-0.03699508" z3="3.96772694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.5925841" y3="-2.15657583" z3="4.13360386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61393497" y3="-2.38440376" z3="4.48891116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07455323" y3="-2.79878552" z3="4.73624271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45794558" y3="-2.53862621" z3="2.65552387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.61011327" y3="-3.63015023" z3="2.55144685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57959732" y3="-2.34258479" z3="2.31839046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43006494" y3="-1.81621947" z3="1.72203604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47563545" y3="-1.98000049" z3="2.04180791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2542535" y3="-0.72620735" z3="1.71761371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33318686" y3="-2.17566373" z3="0.68061545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93843003" y3="-2.69133911" z3="7.6704438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52685356" y3="-0.59572366" z3="6.7094104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39757432" y3="0.02262507" z3="6.4699279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04852184" y3="-1.88800353" z3="7.9104442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44819629" y3="0.44699574" z3="11.88504977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.05577561" y3="0.80140692" z3="12.80460071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.81522981" y3="-0.57853093" z3="12.06890416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33228285" y3="1.07729777" z3="11.69448187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50228164" y3="0.4661323" z3="10.68889097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.88908271" y3="1.4943541" z3="10.53913389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.38581702" y3="-0.16201631" z3="10.91684403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1215743" y3="-0.05213027" z3="9.38223163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56929564" y3="-1.04513787" z3="9.55566347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66559441" y3="-0.20142004" z3="8.62620182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16888633" y3="0.88500952" z3="8.81468443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22026804" y3="1.14095087" z3="9.37838092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8135593" y3="1.53817591" z3="7.97956544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5405,-1.6402,10.8337;-3.1956,-.7142,10.3412;-3.2509,-1.5912,11.8999;-4.6464,-1.6622,10.7865;-2.941,-2.869,10.1568;-3.2525,-3.7924,10.6863;-1.839,-2.8322,10.2054;-3.3382,-3.0156,8.6867;-4.4351,-3.153,8.6171;-2.8397,-3.9071,8.267;-1.7459,-1.7877,7.4082;-.245,-.3862,5.9595;.5287,-1.0298,6.4196;.1133,.6628,6.0699;-.2782,-.6941,4.4488;.7027,-.431,3.9969;-1.0291,-.037,3.9677;-.5926,-2.1566,4.1336;-1.6139,-2.3844,4.4889;.0746,-2.7988,4.7362;-.4579,-2.5386,2.6555;-.6101,-3.6302,2.5514;.5796,-2.3426,2.3184;-1.4301,-1.8162,1.722;-2.4756,-1.98,2.0418;-1.2543,-.7262,1.7176;-1.3332,-2.1757,.6806;-.9384,-2.6913,7.6704;-1.5269,-.5957,6.7094;-2.3976,.0226,6.4699;-3.0485,-1.888,7.9104;-.4482,.447,11.885;.0558,.8014,12.8046;-.8152,-.5785,12.0689;-1.3323,1.0773,11.6945;.5023,.4661,10.6889;.8891,1.4944,10.5391;1.3858,-.162,10.9168;-.1216,-.0521,9.3822;-.5693,-1.0451,9.5557;.6656,-.2014,8.6262;-1.1689,.885,8.8147;-2.2203,1.141,9.3784;-.8136,1.5382,7.9796;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604723731466</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">0.001292232504 0.000265975424 0.026927189493 0.008703563134</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="126">-0.000153315 -0.000072312 0.000197859 0.000237801 0.000415441 0.000516172 0.000702338 0.001428840 0.001702064 0.002130430 0.002481937 0.003101482 0.003579114 0.004213713 0.004950201 0.005540529 0.006361089 0.007185689 0.008356416 0.008845580 0.011271772 0.011738820 0.012641243 0.018689202 0.020426179 0.020834955 0.024703073 0.026929732 0.030820433 0.032041978 0.033213340 0.034238657 0.034405842 0.036319329 0.040446120 0.044629348 0.046475402 0.046831909 0.047906720 0.051270078 0.052086213 0.052371931 0.054708722 0.057971556 0.059314349 0.059647809 0.067273996 0.068506340 0.071005638 0.072489070 0.074341125 0.077215496 0.077499389 0.079541124 0.081912151 0.082901120 0.090301838 0.097409132 0.098824777 0.100181916 0.106262886 0.109203558 0.113267854 0.113628776 0.115369399 0.129649655 0.135007105 0.136375242 0.138001500 0.139544036 0.146963001 0.156166419 0.162421355 0.168854934 0.171976124 0.175835820 0.178736540 0.188044642 0.196008618 0.202962442 0.209938451 0.218197660 0.233100078 0.249760719 0.252078514 0.291737911 0.309572218 0.341992808 0.380580900 0.415679952 0.430503376 0.474808466 0.505876797 0.543626182 0.586881115 0.611783162 0.623498244 0.661050032 0.734637319 0.737117992 0.750556862 0.755115533 0.770750734 0.778027095 0.781089318 0.784940223 0.786934642 0.797472888 0.805425716 0.814316864 0.821257911 0.824744628 0.846618484 0.847349008 0.849859138 0.864551991 0.891994064 0.899719980 0.900766373 0.904231021 0.915123960 0.918446989 0.933631461 0.971765711 1.446581239 1.544553348</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="-3.5422877" y3="-1.64404032" z3="10.82750881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.19557607" y3="-0.71860377" z3="10.33495915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25289956" y3="-1.59578913" z3="11.89378481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64817456" y3="-1.66496281" z3="10.77989944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94379225" y3="-2.87333328" z3="10.15068815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25736987" y3="-3.7968268" z3="10.67843639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84189669" y3="-2.83809085" z3="10.20111307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33872859" y3="-3.01779365" z3="8.68002448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43564863" y3="-3.15216506" z3="8.60786059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84143703" y3="-3.90950085" z3="8.2593673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74161418" y3="-1.78882324" z3="7.41002878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23697044" y3="-0.38424282" z3="5.96767995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53668848" y3="-1.03095955" z3="6.42313107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12559202" y3="0.66312956" z3="6.07687722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28044611" y3="-0.69173373" z3="4.45759902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69845146" y3="-0.43012208" z3="3.99993212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03317907" y3="-0.03289255" z3="3.9811102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59947916" y3="-2.15411885" z3="4.14437642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62173037" y3="-2.37948903" z3="4.49992662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0660385" y3="-2.79781145" z3="4.74775311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46651078" y3="-2.53796698" z3="2.66688214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.6247008" y3="-3.62839207" z3="2.56421636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57193435" y3="-2.3478881" z3="2.32992367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43354151" y3="-1.81066106" z3="1.73236333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47926654" y3="-1.96654307" z3="2.05284026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.250124" y3="-0.72258725" z3="1.72578713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33992295" y3="-2.17162789" z3="0.69172806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9375051" y3="-2.69691341" z3="7.6646422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51534234" y3="-0.58824798" z3="6.72489519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38643403" y3="0.02949561" z3="6.48304605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04501562" y3="-1.88945118" z3="7.90595959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45339161" y3="0.45349954" z3="11.87356108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04194404" y3="0.81855214" z3="12.79353847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.81404372" y3="-0.57568953" z3="12.0601239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34176296" y3="1.07345074" z3="11.6722134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50324488" y3="0.47453818" z3="10.68262108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.87777129" y3="1.50580569" z3="10.52518802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.39318925" y3="-0.13819674" z3="10.92041922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10994643" y3="-0.06029038" z3="9.37804452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54918165" y3="-1.05707317" z3="9.55669503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.6820674" y3="-0.20626869" z3="8.62594261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.164504" y3="0.86516174" z3="8.80063649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22036748" y3="1.11402368" z3="9.36123146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.80249169" y3="1.53082772" z3="7.97781687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5423,-1.644,10.8275;-3.1956,-.7186,10.335;-3.2529,-1.5958,11.8938;-4.6482,-1.665,10.7799;-2.9438,-2.8733,10.1507;-3.2574,-3.7968,10.6784;-1.8419,-2.8381,10.2011;-3.3387,-3.0178,8.68;-4.4356,-3.1522,8.6079;-2.8414,-3.9095,8.2594;-1.7416,-1.7888,7.41;-.237,-.3842,5.9677;.5367,-1.031,6.4231;.1256,.6631,6.0769;-.2804,-.6917,4.4576;.6985,-.4301,3.9999;-1.0332,-.0329,3.9811;-.5995,-2.1541,4.1444;-1.6217,-2.3795,4.4999;.066,-2.7978,4.7478;-.4665,-2.538,2.6669;-.6247,-3.6284,2.5642;.5719,-2.3479,2.3299;-1.4335,-1.8107,1.7324;-2.4793,-1.9665,2.0528;-1.2501,-.7226,1.7258;-1.3399,-2.1716,.6917;-.9375,-2.6969,7.6646;-1.5153,-.5882,6.7249;-2.3864,.0295,6.483;-3.045,-1.8895,7.906;-.4534,.4535,11.8736;.0419,.8186,12.7935;-.814,-.5757,12.0601;-1.3418,1.0735,11.6722;.5032,.4745,10.6826;.8778,1.5058,10.5252;1.3932,-.1382,10.9204;-.1099,-.0603,9.378;-.5492,-1.0571,9.5567;.6821,-.2063,8.6259;-1.1645,.8652,8.8006;-2.2204,1.114,9.3612;-.8025,1.5308,7.9778;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604853547436</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">0.001072016077 0.000314571314 0.035342810252 0.008704257865</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="126">-0.000643451 0.000054297 0.000196929 0.000232668 0.000423803 0.000516718 0.000680491 0.001428748 0.001702908 0.002217653 0.002498409 0.003102282 0.003601514 0.004215799 0.004951550 0.005540547 0.006375553 0.007192262 0.008366226 0.008839625 0.011312139 0.011776580 0.012641923 0.018693265 0.020448498 0.020835912 0.024711570 0.026930291 0.030824974 0.032042283 0.033214839 0.034238448 0.034406031 0.036319487 0.040446730 0.044632968 0.046476479 0.046838989 0.047907190 0.051287606 0.052087418 0.052395775 0.054707596 0.057972890 0.059325252 0.059672149 0.067274499 0.068510865 0.071009692 0.072492951 0.074349337 0.077242531 0.077499649 0.079544930 0.081931762 0.082914480 0.090304862 0.097411809 0.098825043 0.100181937 0.106263193 0.109207337 0.113269398 0.113642615 0.115369760 0.129649814 0.135006912 0.136377569 0.138001788 0.139574322 0.146980829 0.156177669 0.162420602 0.168855464 0.171977534 0.175839215 0.178740443 0.188058657 0.196015593 0.202976924 0.209953904 0.218214875 0.233138277 0.249792034 0.252079323 0.291751796 0.309572550 0.341997272 0.380581372 0.415689440 0.430510877 0.474823988 0.505929792 0.543627894 0.586881403 0.611789174 0.623544181 0.661053090 0.734641947 0.737118287 0.750560142 0.755115999 0.770754393 0.778026372 0.781089215 0.784940672 0.786942864 0.797473188 0.805426064 0.814323384 0.821259651 0.824760034 0.846668656 0.847350510 0.849870157 0.864556263 0.891996044 0.899767269 0.900769438 0.904236113 0.915160730 0.918448155 0.933632066 0.971769849 1.446601237 1.544553223</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="-3.5425764" y3="-1.63895776" z3="10.83076677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.19552403" y3="-0.71296515" z3="10.33945253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25217353" y3="-1.59286993" z3="11.89686466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.64853114" y3="-1.65949751" z3="10.78412055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94494301" y3="-2.86700502" z3="10.15088014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25761993" y3="-3.79164982" z3="10.6772666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8429355" y3="-2.83149163" z3="10.19991227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34205955" y3="-3.00881621" z3="8.68053923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43915171" y3="-3.14310019" z3="8.60982598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84529518" y3="-3.89975181" z3="8.25751535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74758174" y3="-1.77882769" z3="7.40779908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24556707" y3="-0.37301285" z3="5.96340089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53151069" y3="-1.01438776" z3="6.42101273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11236343" y3="0.67651361" z3="6.06744611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2885142" y3="-0.68803449" z3="4.45463968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68817926" y3="-0.42201387" z3="3.99512297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04603593" y3="-0.03653807" z3="3.97548524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59763405" y3="-2.1539617" z3="4.1479553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61906323" y3="-2.38408713" z3="4.50245369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07027876" y3="-2.79073549" z3="4.75589443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45916862" y3="-2.54353482" z3="2.67255904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.6127814" y3="-3.63482502" z3="2.57450541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57913414" y3="-2.35088341" z3="2.33722715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42659035" y3="-1.8242337" z3="1.73233756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47199827" y3="-1.98196528" z3="2.0523629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.24696107" y3="-0.73554026" z3="1.71934622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33060998" y3="-2.19069171" z3="0.69407984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94314407" y3="-2.68748461" z3="7.65902601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52215182" y3="-0.5778818" z3="6.72351715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39346282" y3="0.04087195" z3="6.48505491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04953674" y3="-1.87900809" z3="7.90792903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45132582" y3="0.42741745" z3="11.87347762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03911716" y3="0.79265721" z3="12.79500318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79864071" y3="-0.60620854" z3="12.05436972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3466745" y3="1.03810793" z3="11.67645416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50499106" y3="0.46938539" z3="10.68263976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86937748" y3="1.50583701" z3="10.53534482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.40051364" y3="-0.13692994" z3="10.91432101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.103562" y3="-0.05679893" z3="9.37217259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53573983" y3="-1.0591156" z3="9.54007359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.68960331" y3="-0.1890597" z3="8.6182434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16303521" y3="0.86853632" z3="8.80284509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.21664091" y3="1.11368413" z3="9.36945147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8062004" y3="1.5382418" z3="7.98167702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5426,-1.639,10.8308;-3.1955,-.713,10.3395;-3.2522,-1.5929,11.8969;-4.6485,-1.6595,10.7841;-2.9449,-2.867,10.1509;-3.2576,-3.7916,10.6773;-1.8429,-2.8315,10.1999;-3.3421,-3.0088,8.6805;-4.4392,-3.1431,8.6098;-2.8453,-3.8998,8.2575;-1.7476,-1.7788,7.4078;-.2456,-.373,5.9634;.5315,-1.0144,6.421;.1124,.6765,6.0674;-.2885,-.688,4.4546;.6882,-.422,3.9951;-1.046,-.0365,3.9755;-.5976,-2.154,4.148;-1.6191,-2.3841,4.5025;.0703,-2.7907,4.7559;-.4592,-2.5435,2.6726;-.6128,-3.6348,2.5745;.5791,-2.3509,2.3372;-1.4266,-1.8242,1.7323;-2.472,-1.982,2.0524;-1.247,-.7355,1.7193;-1.3306,-2.1907,.6941;-.9431,-2.6875,7.659;-1.5222,-.5779,6.7235;-2.3935,.0409,6.4851;-3.0495,-1.879,7.9079;-.4513,.4274,11.8735;.0391,.7927,12.795;-.7986,-.6062,12.0544;-1.3467,1.0381,11.6765;.505,.4694,10.6826;.8694,1.5058,10.5353;1.4005,-.1369,10.9143;-.1036,-.0568,9.3722;-.5357,-1.0591,9.5401;.6896,-.1891,8.6182;-1.163,.8685,8.8028;-2.2166,1.1137,9.3695;-.8062,1.5382,7.9817;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604854621464</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">0.001285352695 0.000279693803 0.028186370980 0.008703103714</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="126">-0.000341677 -0.000017759 0.000198638 0.000247144 0.000416007 0.000516153 0.000696588 0.001431171 0.001702806 0.002241266 0.002499757 0.003103123 0.003606360 0.004215850 0.004963796 0.005542732 0.006374935 0.007194272 0.008378203 0.008878042 0.011311677 0.011774459 0.012642462 0.018692224 0.020469832 0.020836145 0.024710946 0.026930327 0.030823481 0.032041713 0.033218818 0.034238803 0.034406182 0.036319144 0.040446501 0.044631641 0.046476303 0.046838817 0.047906413 0.051285603 0.052087083 0.052393851 0.054713144 0.057972180 0.059323188 0.059666608 0.067274462 0.068506656 0.071011136 0.072494276 0.074349145 0.077235940 0.077500736 0.079543867 0.081927415 0.082911920 0.090303898 0.097411564 0.098825534 0.100182296 0.106262941 0.109205315 0.113269305 0.113647876 0.115369734 0.129649831 0.135006547 0.136377764 0.138001978 0.139574637 0.146976812 0.156174461 0.162427734 0.168855474 0.171978727 0.175847114 0.178740029 0.188057865 0.196020152 0.202974610 0.209951797 0.218210979 0.233123728 0.249792449 0.252080739 0.291763224 0.309574618 0.342006035 0.380598802 0.415696826 0.430511222 0.474823397 0.505928056 0.543627991 0.586881438 0.611789862 0.623576405 0.661053072 0.734664654 0.737120478 0.750565590 0.755116319 0.770760484 0.778033523 0.781099738 0.784944717 0.786948695 0.797473185 0.805426563 0.814332332 0.821262779 0.824774210 0.846679121 0.847350995 0.849870570 0.864553640 0.891996487 0.899781425 0.900769595 0.904237103 0.915172797 0.918447611 0.933633943 0.971779005 1.446600756 1.544553071</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="-3.54554317" y3="-1.63464685" z3="10.83673391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.19898126" y3="-0.70797398" z3="10.34665202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25638464" y3="-1.58876272" z3="11.9031696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65145761" y3="-1.65595044" z3="10.78882802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94611967" y3="-2.86169232" z3="10.156563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25728103" y3="-3.78668265" z3="10.68333919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84412656" y3="-2.82446169" z3="10.20516014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34381134" y3="-3.00431902" z3="8.68633234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44074235" y3="-3.14137938" z3="8.61682008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8454856" y3="-3.89457954" z3="8.26367952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75346181" y3="-1.77430397" z3="7.40743786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2570741" y3="-0.3700136" z3="5.95498891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52167224" y3="-1.00700654" z3="6.41559606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09582161" y3="0.68123828" z3="6.0582677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29335251" y3="-0.687118" z3="4.44648534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68257626" y3="-0.41433606" z3="3.98886749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05450771" y3="-0.04185955" z3="3.96487181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.5909272" y3="-2.1556608" z3="4.14122349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61064016" y3="-2.3931395" z3="4.49597477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08207773" y3="-2.78643094" z3="4.74984362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44868721" y3="-2.5466983" z3="2.66637406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59597448" y3="-3.63934003" z3="2.5692796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58927664" y3="-2.34867565" z3="2.33210746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41909061" y3="-1.83418855" z3="1.72396758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46462769" y3="-1.99548247" z3="2.04339126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.24380813" y3="-0.74467256" z3="1.70906485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32007277" y3="-2.20346531" z3="0.68638934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9458693" y3="-2.67914955" z3="7.66514421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53500284" y3="-0.58049863" z3="6.71102492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40655152" y3="0.03929201" z3="6.47707486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05442492" y3="-1.87450162" z3="7.91313744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44293489" y3="0.41165022" z3="11.88078164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.05164648" y3="0.76447084" z3="12.80614808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.79229428" y3="-0.62361117" z3="12.05037381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33705088" y3="1.02707073" z3="11.69371862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5085398" y3="0.46259618" z3="10.68662615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.87792358" y3="1.49839994" z3="10.550212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.40170593" y3="-0.15229366" z3="10.90757952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10732043" y3="-0.04699197" z3="9.37288309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54339236" y3="-1.04791483" z3="9.53226916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.68200614" y3="-0.17686257" z3="8.61550046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16449045" y3="0.88684461" z3="8.81627778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.21310224" y3="1.13511534" z3="9.38865761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.81701646" y3="1.54737362" z3="7.98355444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5455,-1.6346,10.8367;-3.199,-.708,10.3467;-3.2564,-1.5888,11.9032;-4.6515,-1.656,10.7888;-2.9461,-2.8617,10.1566;-3.2573,-3.7867,10.6833;-1.8441,-2.8245,10.2052;-3.3438,-3.0043,8.6863;-4.4407,-3.1414,8.6168;-2.8455,-3.8946,8.2637;-1.7535,-1.7743,7.4074;-.2571,-.37,5.955;.5217,-1.007,6.4156;.0958,.6812,6.0583;-.2934,-.6871,4.4465;.6826,-.4143,3.9889;-1.0545,-.0419,3.9649;-.5909,-2.1557,4.1412;-1.6106,-2.3931,4.496;.0821,-2.7864,4.7498;-.4487,-2.5467,2.6664;-.596,-3.6393,2.5693;.5893,-2.3487,2.3321;-1.4191,-1.8342,1.724;-2.4646,-1.9955,2.0434;-1.2438,-.7447,1.7091;-1.3201,-2.2035,.6864;-.9459,-2.6791,7.6651;-1.535,-.5805,6.711;-2.4066,.0393,6.4771;-3.0544,-1.8745,7.9131;-.4429,.4117,11.8808;.0516,.7645,12.8061;-.7923,-.6236,12.0504;-1.3371,1.0271,11.6937;.5085,.4626,10.6866;.8779,1.4984,10.5502;1.4017,-.1523,10.9076;-.1073,-.047,9.3729;-.5434,-1.0479,9.5323;.682,-.1769,8.6155;-1.1645,.8868,8.8163;-2.2131,1.1351,9.3887;-.817,1.5474,7.9836;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604757400544</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">0.001147280461 0.000227872610 0.028320075358 0.008703569687</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="126">-0.000445115 -0.000002987 0.000209507 0.000248173 0.000444991 0.000515877 0.000721698 0.001449054 0.001703917 0.002246301 0.002499866 0.003103659 0.003634335 0.004216093 0.004973359 0.005542682 0.006374464 0.007193657 0.008398704 0.008884450 0.011312765 0.011775805 0.012643802 0.018692074 0.020493980 0.020835820 0.024710864 0.026929730 0.030823162 0.032041195 0.033221459 0.034238782 0.034406961 0.036319509 0.040446286 0.044631732 0.046476256 0.046842771 0.047911756 0.051286467 0.052087105 0.052389801 0.054716060 0.057974822 0.059322142 0.059663402 0.067274638 0.068502990 0.071008919 0.072492913 0.074351972 0.077236601 0.077499776 0.079545321 0.081932336 0.082915428 0.090303342 0.097412343 0.098825196 0.100182382 0.106262718 0.109202857 0.113269361 0.113662570 0.115369924 0.129649693 0.135007333 0.136377654 0.138000568 0.139568153 0.146975174 0.156172065 0.162433334 0.168855109 0.171979593 0.175866782 0.178739203 0.188055827 0.196016620 0.202969694 0.209947193 0.218210934 0.233111127 0.249774922 0.252080442 0.291763881 0.309575520 0.342004759 0.380623931 0.415695499 0.430511910 0.474824115 0.505950575 0.543627590 0.586881580 0.611790203 0.623575271 0.661054021 0.734683255 0.737124292 0.750565046 0.755116791 0.770760061 0.778038847 0.781112147 0.784949865 0.786944339 0.797473301 0.805426412 0.814333089 0.821262733 0.824829131 0.846677423 0.847351224 0.849876924 0.864550391 0.891996087 0.899794295 0.900773215 0.904240772 0.915175358 0.918446163 0.933633869 0.971776765 1.446600380 1.544553447</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="-3.54747546" y3="-1.6317978" z3="10.8414183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.20294498" y3="-0.70405641" z3="10.35230944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25804148" y3="-1.58604438" z3="11.90780743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.6533977" y3="-1.65471728" z3="10.79368938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94603591" y3="-2.85698184" z3="10.15975063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25547218" y3="-3.78279785" z3="10.68627893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84402387" y3="-2.81776609" z3="10.20757189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3443326" y3="-2.99906242" z3="8.68943243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44125729" y3="-3.13843758" z3="8.62108204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84483369" y3="-3.88863823" z3="8.26671225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75688347" y3="-1.7694732" z3="7.40466172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2633374" y3="-0.36888491" z3="5.94599543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51641345" y3="-1.00080513" z3="6.41291913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08400339" y3="0.68479966" z3="6.04824426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28996641" y3="-0.69036606" z3="4.43750881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68712505" y3="-0.41703172" z3="3.98405788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05024112" y3="-0.04869206" z3="3.95033558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58292284" y3="-2.15945386" z3="4.13484897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60060581" y3="-2.39879057" z3="4.49231829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09257637" y3="-2.78714762" z3="4.74325292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44283085" y3="-2.55130028" z3="2.66036132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58726118" y3="-3.64421394" z3="2.5653128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59327307" y3="-2.35042941" z3="2.3227201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41824377" y3="-1.84293811" z3="1.72004466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46164281" y3="-2.00533806" z3="2.0451726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.24532976" y3="-0.75294812" z3="1.7005373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32410987" y3="-2.21434096" z3="0.68348413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94648905" y3="-2.67056061" z3="7.67034858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54466205" y3="-0.58508265" z3="6.69418067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41549438" y3="0.03723096" z3="6.464193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05762632" y3="-1.8688994" z3="7.91636486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4404998" y3="0.39251075" z3="11.88987596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.05715589" y3="0.73627438" z3="12.81580353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.78976378" y3="-0.64256945" z3="12.05112609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33493625" y3="1.01230156" z3="11.71366082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50916215" y3="0.45684552" z3="10.69450403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.88132555" y3="1.4943768" z3="10.57273107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.40083238" y3="-0.16347617" z3="10.90560407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10847317" y3="-0.03252433" z3="9.37301159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.54246151" y3="-1.03873444" z3="9.51520378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.67904787" y3="-0.1485425" z3="8.60978367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16600729" y3="0.91010204" z3="8.83229881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.21025667" y3="1.15773467" z3="9.40944369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83141623" y3="1.56005442" z3="7.98640997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5475,-1.6318,10.8414;-3.2029,-.7041,10.3523;-3.258,-1.586,11.9078;-4.6534,-1.6547,10.7937;-2.946,-2.857,10.1598;-3.2555,-3.7828,10.6863;-1.844,-2.8178,10.2076;-3.3443,-2.9991,8.6894;-4.4413,-3.1384,8.6211;-2.8448,-3.8886,8.2667;-1.7569,-1.7695,7.4047;-.2633,-.3689,5.946;.5164,-1.0008,6.4129;.084,.6848,6.0482;-.29,-.6904,4.4375;.6871,-.417,3.9841;-1.0502,-.0487,3.9503;-.5829,-2.1595,4.1348;-1.6006,-2.3988,4.4923;.0926,-2.7871,4.7433;-.4428,-2.5513,2.6604;-.5873,-3.6442,2.5653;.5933,-2.3504,2.3227;-1.4182,-1.8429,1.72;-2.4616,-2.0053,2.0452;-1.2453,-.7529,1.7005;-1.3241,-2.2143,.6835;-.9465,-2.6706,7.6703;-1.5447,-.5851,6.6942;-2.4155,.0372,6.4642;-3.0576,-1.8689,7.9164;-.4405,.3925,11.8899;.0572,.7363,12.8158;-.7898,-.6426,12.0511;-1.3349,1.0123,11.7137;.5092,.4568,10.6945;.8813,1.4944,10.5727;1.4008,-.1635,10.9056;-.1085,-.0325,9.373;-.5425,-1.0387,9.5152;.679,-.1485,8.6098;-1.166,.9101,8.8323;-2.2103,1.1577,9.4094;-.8314,1.5601,7.9864;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604665210714</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">0.001777556377 0.000359808648 0.030162300553 0.008704185805</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="126">-0.000491760 -0.000006966 0.000210614 0.000248902 0.000455552 0.000517110 0.000820561 0.001495530 0.001703939 0.002246101 0.002520121 0.003107721 0.003669574 0.004217704 0.004992448 0.005551198 0.006380589 0.007198500 0.008543706 0.008923562 0.011368595 0.011818445 0.012647258 0.018691859 0.020568688 0.020835628 0.024717016 0.026934234 0.030823136 0.032041817 0.033234029 0.034239897 0.034412514 0.036321286 0.040446085 0.044635758 0.046476156 0.046850527 0.047942350 0.051306115 0.052087594 0.052413760 0.054729609 0.057979931 0.059329533 0.059692294 0.067275455 0.068503553 0.071017591 0.072492721 0.074348538 0.077252144 0.077499435 0.079545305 0.081934404 0.082913391 0.090313352 0.097423365 0.098825426 0.100182512 0.106262506 0.109200843 0.113270319 0.113704185 0.115369922 0.129649671 0.135011275 0.136378533 0.138001527 0.139575200 0.146975314 0.156170661 0.162472842 0.168857679 0.171986663 0.175946182 0.178740715 0.188059972 0.196026481 0.202993512 0.209949812 0.218319242 0.233147324 0.249880448 0.252084858 0.291819574 0.309578951 0.342015220 0.380664360 0.415695342 0.430512094 0.474825121 0.506013565 0.543629492 0.586893249 0.611790202 0.623611457 0.661066766 0.734709012 0.737144802 0.750568100 0.755117768 0.770760004 0.778051423 0.781115757 0.784968990 0.787009652 0.797473886 0.805426637 0.814345098 0.821268171 0.825128473 0.846676627 0.847351305 0.849894494 0.864550212 0.891995942 0.899821855 0.900785970 0.904244316 0.915185985 0.918444947 0.933637541 0.971787385 1.446655059 1.544556209</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="-3.55067634" y3="-1.62909376" z3="10.83653329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.20571657" y3="-0.7012183" z3="10.34755922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26120691" y3="-1.58401123" z3="11.90293194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65662882" y3="-1.6528978" z3="10.78879127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9483379" y3="-2.85357586" z3="10.15436124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2572758" y3="-3.78040342" z3="10.67951296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84635156" y3="-2.81342875" z3="10.20307764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34591088" y3="-2.99469277" z3="8.68388569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44286992" y3="-3.13193788" z3="8.6140617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84743863" y3="-3.8844355" z3="8.26033127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75615611" y3="-1.76367977" z3="7.40541426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26054176" y3="-0.36039804" z3="5.95124095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52019022" y3="-0.99237007" z3="6.41535608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08848972" y3="0.69252793" z3="6.04943301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29514453" y3="-0.68557302" z3="4.44418845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67971599" y3="-0.41217644" z3="3.98536371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05806356" y3="-0.04587533" z3="3.95874455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58737966" y3="-2.1562449" z3="4.14658797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60551929" y3="-2.39594949" z3="4.50361617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08834136" y3="-2.78138103" z3="4.75769207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44521876" y3="-2.55319649" z3="2.67349831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58693027" y3="-3.64716319" z3="2.58172173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59124154" y3="-2.35117519" z3="2.33686499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42094052" y3="-1.84999882" z3="1.72924226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46591222" y3="-2.01626185" z3="2.05017871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25200087" y3="-0.75901691" z3="1.70979358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32037319" y3="-2.22327846" z3="0.69310373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9476761" y3="-2.66767874" z3="7.66434957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53841324" y3="-0.57076617" z3="6.70784753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40967404" y3="0.04833356" z3="6.47318809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05663253" y3="-1.86394879" z3="7.91168849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44217647" y3="0.37677725" z3="11.88124415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04648304" y3="0.7218573" z3="12.81304389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.77520329" y3="-0.66697575" z3="12.03390043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34582822" y3="0.98213926" z3="11.7043451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51004726" y3="0.46297343" z3="10.68818692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86462064" y3="1.50739494" z3="10.57063465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.41231381" y3="-0.14389175" z3="10.89894713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.0965387" y3="-0.03381196" z3="9.36503045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52003588" y3="-1.04267119" z3="9.5086707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69693461" y3="-0.14278383" z3="8.6085883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16284521" y3="0.89469782" z3="8.81790849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20909843" y3="1.13591708" z3="9.39807087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82602379" y3="1.55873121" z3="7.98364129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5507,-1.6291,10.8365;-3.2057,-.7012,10.3476;-3.2612,-1.584,11.9029;-4.6566,-1.6529,10.7888;-2.9483,-2.8536,10.1544;-3.2573,-3.7804,10.6795;-1.8464,-2.8134,10.2031;-3.3459,-2.9947,8.6839;-4.4429,-3.1319,8.6141;-2.8474,-3.8844,8.2603;-1.7562,-1.7637,7.4054;-.2605,-.3604,5.9512;.5202,-.9924,6.4154;.0885,.6925,6.0494;-.2951,-.6856,4.4442;.6797,-.4122,3.9854;-1.0581,-.0459,3.9587;-.5874,-2.1562,4.1466;-1.6055,-2.3959,4.5036;.0883,-2.7814,4.7577;-.4452,-2.5532,2.6735;-.5869,-3.6472,2.5817;.5912,-2.3512,2.3369;-1.4209,-1.85,1.7292;-2.4659,-2.0163,2.0502;-1.252,-.759,1.7098;-1.3204,-2.2233,.6931;-.9477,-2.6677,7.6643;-1.5384,-.5708,6.7078;-2.4097,.0483,6.4732;-3.0566,-1.8639,7.9117;-.4422,.3768,11.8812;.0465,.7219,12.813;-.7752,-.667,12.0339;-1.3458,.9821,11.7043;.51,.463,10.6882;.8646,1.5074,10.5706;1.4123,-.1439,10.8989;-.0965,-.0338,9.365;-.52,-1.0427,9.5087;.6969,-.1428,8.6086;-1.1628,.8947,8.8179;-2.2091,1.1359,9.3981;-.826,1.5587,7.9836;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604766885030</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">0.001481515325 0.000364637743 0.028559462127 0.008704396705</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="126">-0.000725785 -0.000014396 0.000218890 0.000247507 0.000462954 0.000537987 0.000791600 0.001513899 0.001703939 0.002282678 0.002519473 0.003107655 0.003742143 0.004220033 0.005003525 0.005562020 0.006379567 0.007197131 0.008594761 0.009010263 0.011383464 0.011818690 0.012650901 0.018692512 0.020698844 0.020836250 0.024730339 0.026936648 0.030825105 0.032046014 0.033231437 0.034240797 0.034416017 0.036322003 0.040446297 0.044646828 0.046476074 0.046855469 0.047964848 0.051347048 0.052091625 0.052475238 0.054748019 0.057981760 0.059327082 0.059683158 0.067276570 0.068500680 0.071014820 0.072498168 0.074350678 0.077275860 0.077502197 0.079546207 0.081939744 0.082915878 0.090328762 0.097427350 0.098825849 0.100182933 0.106263186 0.109202095 0.113272229 0.113708803 0.115369987 0.129649799 0.135014308 0.136382402 0.138003710 0.139590830 0.146975858 0.156176690 0.162481046 0.168858872 0.171986485 0.175943253 0.178750307 0.188059964 0.196027028 0.202998659 0.209957952 0.218452205 0.233183404 0.249953568 0.252096366 0.291855375 0.309586503 0.342019695 0.380855878 0.415705459 0.430513311 0.474827501 0.506055425 0.543630589 0.586893418 0.611799349 0.623676006 0.661067058 0.734720981 0.737145783 0.750570056 0.755120443 0.770762603 0.778076333 0.781171260 0.784975921 0.787013588 0.797474065 0.805429610 0.814355298 0.821275732 0.825182699 0.846679598 0.847351622 0.849894341 0.864555295 0.891997718 0.899828627 0.900802570 0.904244530 0.915225570 0.918446516 0.933647861 0.971839129 1.446773800 1.544563106</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="-3.55005107" y3="-1.62375766" z3="10.84349812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.20735959" y3="-0.69545856" z3="10.35418289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25818957" y3="-1.57832659" z3="11.90920974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65603347" y3="-1.64821254" z3="10.79832792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9484003" y3="-2.84761162" z3="10.15979274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25564741" y3="-3.77427439" z3="10.68608292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84638279" y3="-2.80682904" z3="10.20564757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34922946" y3="-2.98918605" z3="8.69011826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44637274" y3="-3.12693771" z3="8.62328892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85167481" y3="-3.87934777" z3="8.2664746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76183955" y3="-1.76088379" z3="7.40536298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26921107" y3="-0.36190806" z3="5.94338186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51097532" y3="-0.99197115" z3="6.41039848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07720094" y3="0.6916131" z3="6.04270101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.296604" y3="-0.68600511" z3="4.43604944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67756003" y3="-0.40296859" z3="3.97979517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06472178" y3="-0.05250243" z3="3.94954158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57512064" y3="-2.15988782" z3="4.13682699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5899749" y3="-2.41068247" z3="4.49786189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.11039929" y3="-2.77931332" z3="4.74372927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43469053" y3="-2.55418902" z3="2.66272691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56759259" y3="-3.64946932" z3="2.57028896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59914751" y3="-2.34313553" z3="2.32268967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41961121" y3="-1.85866551" z3="1.72197801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46262779" y3="-2.03295572" z3="2.04581877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25901911" y3="-0.76624832" z3="1.70272925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.31897867" y3="-2.23091315" z3="0.68532948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9510904" y3="-2.66137717" z3="7.67243541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5492253" y3="-0.57656468" z3="6.69434787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.42022632" y3="0.04489573" z3="6.46365823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0620131" y3="-1.85944028" z3="7.91647883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43988537" y3="0.36253758" z3="11.88746965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.0514053" y3="0.69329784" z3="12.82297891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.77967336" y3="-0.68090792" z3="12.02719468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.33917284" y3="0.97423149" z3="11.71757731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51116191" y3="0.45670753" z3="10.69531212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.87064198" y3="1.49915652" z3="10.58728363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.40993613" y3="-0.15532564" z3="10.89894639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09982979" y3="-0.0241926" z3="9.36897286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52881987" y3="-1.03128925" z3="9.50346102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69101028" y3="-0.13123439" z3="8.61068524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16194019" y3="0.9134265" z3="8.83135828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20349216" y3="1.15998858" z3="9.4151475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8330987" y3="1.56550564" z3="7.98523149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5501,-1.6238,10.8435;-3.2074,-.6955,10.3542;-3.2582,-1.5783,11.9092;-4.656,-1.6482,10.7983;-2.9484,-2.8476,10.1598;-3.2556,-3.7743,10.6861;-1.8464,-2.8068,10.2056;-3.3492,-2.9892,8.6901;-4.4464,-3.1269,8.6233;-2.8517,-3.8793,8.2665;-1.7618,-1.7609,7.4054;-.2692,-.3619,5.9434;.511,-.992,6.4104;.0772,.6916,6.0427;-.2966,-.686,4.436;.6776,-.403,3.9798;-1.0647,-.0525,3.9495;-.5751,-2.1599,4.1368;-1.59,-2.4107,4.4979;.1104,-2.7793,4.7437;-.4347,-2.5542,2.6627;-.5676,-3.6495,2.5703;.5991,-2.3431,2.3227;-1.4196,-1.8587,1.722;-2.4626,-2.033,2.0458;-1.259,-.7662,1.7027;-1.319,-2.2309,.6853;-.9511,-2.6614,7.6724;-1.5492,-.5766,6.6943;-2.4202,.0449,6.4637;-3.062,-1.8594,7.9165;-.4399,.3625,11.8875;.0514,.6933,12.823;-.7797,-.6809,12.0272;-1.3392,.9742,11.7176;.5112,.4567,10.6953;.8706,1.4992,10.5873;1.4099,-.1553,10.8989;-.0998,-.0242,9.369;-.5288,-1.0313,9.5035;.691,-.1312,8.6107;-1.1619,.9134,8.8314;-2.2035,1.16,9.4151;-.8331,1.5655,7.9852;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604663126044</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">0.001970623150 0.000435954084 0.031658655614 0.008703876990</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="126">-0.000392547 0.000008935 0.000212006 0.000280068 0.000461701 0.000605211 0.000854836 0.001574637 0.001704020 0.002289798 0.002563434 0.003109553 0.003761213 0.004223928 0.005003779 0.005568532 0.006388251 0.007214821 0.008604260 0.009010311 0.011402756 0.011888842 0.012653527 0.018691837 0.020684525 0.020838255 0.024728837 0.026937245 0.030825088 0.032044786 0.033234222 0.034241004 0.034416182 0.036321650 0.040446367 0.044645217 0.046476251 0.046862792 0.047965442 0.051341583 0.052090964 0.052461257 0.054748226 0.057980945 0.059338222 0.059712745 0.067276283 0.068511768 0.071040619 0.072499054 0.074350999 0.077271133 0.077500774 0.079545606 0.081938005 0.082917177 0.090326283 0.097429335 0.098825950 0.100182871 0.106263667 0.109200522 0.113272982 0.113721421 0.115370439 0.129649570 0.135015367 0.136385354 0.138003243 0.139625913 0.146976786 0.156177432 0.162486319 0.168858642 0.171991346 0.175974163 0.178749398 0.188075555 0.196034705 0.202995367 0.209965922 0.218466783 0.233168845 0.249972030 0.252099211 0.291886082 0.309587604 0.342021663 0.380873553 0.415705812 0.430516015 0.474826846 0.506105150 0.543642147 0.586916947 0.611799014 0.623675837 0.661075511 0.734738856 0.737152173 0.750569570 0.755121438 0.770763952 0.778080092 0.781169424 0.785002582 0.787072494 0.797474009 0.805429578 0.814354410 0.821275476 0.825342692 0.846678976 0.847351792 0.849900208 0.864565971 0.891999037 0.899950082 0.900822055 0.904245016 0.915226928 0.918454412 0.933650180 0.971843270 1.446787229 1.544568010</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="-3.55584542" y3="-1.62018721" z3="10.83990573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21239651" y3="-0.69259623" z3="10.34974497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26529203" y3="-1.5734969" z3="11.90590163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66174203" y3="-1.64578043" z3="10.79319826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95202145" y3="-2.84392435" z3="10.15799428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2589895" y3="-3.77088515" z3="10.68384808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85016702" y3="-2.80170938" z3="10.20579287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3504292" y3="-2.9863696" z3="8.68788448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44747363" y3="-3.12401697" z3="8.61916933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85217134" y3="-3.87655042" z3="8.26496698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76174207" y3="-1.75690388" z3="7.40597498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26680421" y3="-0.35540335" z3="5.94853446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51531826" y3="-0.98359485" z3="6.4159781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07855075" y3="0.69912143" z3="6.04502053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29798142" y3="-0.68385333" z3="4.44215045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67437327" y3="-0.40293813" z3="3.98258759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06687149" y3="-0.05155735" z3="3.95627631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57784438" y3="-2.15735868" z3="4.14744006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59249144" y3="-2.40494097" z3="4.5079667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.1050404" y3="-2.77537063" z3="4.75725245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43628191" y3="-2.55581353" z3="2.67456801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56920484" y3="-3.6508532" z3="2.58503944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59746961" y3="-2.34568032" z3="2.33444661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42023859" y3="-1.8623531" z3="1.73211745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46185274" y3="-2.03407699" z3="2.05845843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25843179" y3="-0.77079689" z3="1.70847904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32232092" y3="-2.23709891" z3="0.69690703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95221809" y3="-2.65933105" z3="7.66899132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5455893" y3="-0.5682" z3="6.70220349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41692747" y3="0.05263145" z3="6.46978745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06223962" y3="-1.85646509" z3="7.91436944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44109163" y3="0.34387121" z3="11.87780474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.0432838" y3="0.68112309" z3="12.81306233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.76309986" y3="-0.70318627" z3="12.01612928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3509094" y3="0.94287865" z3="11.70943055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51178929" y3="0.45791177" z3="10.68902002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.85444356" y3="1.50747632" z3="10.58825101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.41997805" y3="-0.14011652" z3="10.89263918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.08655457" y3="-0.02342387" z3="9.35622077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49716121" y3="-1.04265642" z3="9.47913555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.70897365" y3="-0.10840339" z3="8.59592027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16173411" y3="0.90440103" z3="8.82191321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20482649" y3="1.13910353" z3="9.40807225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83663673" y3="1.56676222" z3="7.98181773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5558,-1.6202,10.8399;-3.2124,-.6926,10.3497;-3.2653,-1.5735,11.9059;-4.6617,-1.6458,10.7932;-2.952,-2.8439,10.158;-3.259,-3.7709,10.6838;-1.8502,-2.8017,10.2058;-3.3504,-2.9864,8.6879;-4.4475,-3.124,8.6192;-2.8522,-3.8766,8.265;-1.7617,-1.7569,7.406;-.2668,-.3554,5.9485;.5153,-.9836,6.416;.0786,.6991,6.045;-.298,-.6839,4.4422;.6744,-.4029,3.9826;-1.0669,-.0516,3.9563;-.5778,-2.1574,4.1474;-1.5925,-2.4049,4.508;.105,-2.7754,4.7573;-.4363,-2.5558,2.6746;-.5692,-3.6509,2.585;.5975,-2.3457,2.3344;-1.4202,-1.8624,1.7321;-2.4619,-2.0341,2.0585;-1.2584,-.7708,1.7085;-1.3223,-2.2371,.6969;-.9522,-2.6593,7.669;-1.5456,-.5682,6.7022;-2.4169,.0526,6.4698;-3.0622,-1.8565,7.9144;-.4411,.3439,11.8778;.0433,.6811,12.8131;-.7631,-.7032,12.0161;-1.3509,.9429,11.7094;.5118,.4579,10.689;.8544,1.5075,10.5883;1.42,-.1401,10.8926;-.0866,-.0234,9.3562;-.4972,-1.0427,9.4791;.709,-.1084,8.5959;-1.1617,.9044,8.8219;-2.2048,1.1391,9.4081;-.8366,1.5668,7.9818;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604754726480</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">0.002514905670 0.000398641574 0.035016825161 0.008704769308</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="126">-0.000694108 -0.000289882 0.000207975 0.000277478 0.000458740 0.000525381 0.000859050 0.001555035 0.001704547 0.002290709 0.002557585 0.003108954 0.003812654 0.004225099 0.005011712 0.005581478 0.006405939 0.007211301 0.008641576 0.009137317 0.011479463 0.012079657 0.012680266 0.018693809 0.020833790 0.020857931 0.024744090 0.026938422 0.030824066 0.032051404 0.033233285 0.034241757 0.034427480 0.036321863 0.040446644 0.044653560 0.046477575 0.046883056 0.047977816 0.051358039 0.052094100 0.052531510 0.054777234 0.057981173 0.059351376 0.059739116 0.067276605 0.068527271 0.071038239 0.072498876 0.074351523 0.077277504 0.077500821 0.079545438 0.081943302 0.082919428 0.090329254 0.097445262 0.098827533 0.100182946 0.106264358 0.109200656 0.113281457 0.113776909 0.115371231 0.129649661 0.135015823 0.136410791 0.138004659 0.139660960 0.146976258 0.156183949 0.162516570 0.168859132 0.171992344 0.176051241 0.178751725 0.188075874 0.196044629 0.203018650 0.209986140 0.218576956 0.233227601 0.250076375 0.252108752 0.291925198 0.309600490 0.342021657 0.381093146 0.415708842 0.430515911 0.474828163 0.506132198 0.543644917 0.586932623 0.611811936 0.623825171 0.661075404 0.734801871 0.737157700 0.750570031 0.755122690 0.770766266 0.778080361 0.781168417 0.785010714 0.787166453 0.797474208 0.805429844 0.814364294 0.821276984 0.825843810 0.846680027 0.847352061 0.849904042 0.864566317 0.891999536 0.899950023 0.900829315 0.904245979 0.915228824 0.918455227 0.933650955 0.971846319 1.446833168 1.544579731</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="-3.54670314" y3="-1.62362083" z3="10.84675174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.20424925" y3="-0.69644709" z3="10.35516696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25055115" y3="-1.57776749" z3="11.91128769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65286763" y3="-1.64608302" z3="10.80591115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94979597" y3="-2.84897814" z3="10.16176371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25845002" y3="-3.77474793" z3="10.6886492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84766419" y3="-2.81123777" z3="10.20526865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35399944" y3="-2.98952652" z3="8.69286466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45163092" y3="-3.12437794" z3="8.62845944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85980365" y3="-3.88111173" z3="8.26831069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76557596" y3="-1.76359624" z3="7.40660392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26939621" y3="-0.36476544" z3="5.94779483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51023822" y3="-0.99509945" z3="6.41644057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07672164" y3="0.68911582" z3="6.04890505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29393607" y3="-0.68765823" z3="4.43986779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.6804789" y3="-0.4056505" z3="3.98549145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06030879" y3="-0.05316974" z3="3.9531463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57310525" y3="-2.1595892" z3="4.13789091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58758478" y3="-2.40911495" z3="4.49776329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.11055564" y3="-2.78026428" z3="4.74402017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43165122" y3="-2.55077563" z3="2.66299808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56345542" y3="-3.64568597" z3="2.56805301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.60191833" y3="-2.33798689" z3="2.32336084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4170996" y3="-1.85393373" z3="1.72456573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.45839938" y3="-2.02698358" z3="2.05196378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25544151" y3="-0.76216415" z3="1.70442917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32074505" y3="-2.22539355" z3="0.68786344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95589227" y3="-2.66496511" z3="7.67357552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.551196" y3="-0.57928371" z3="6.69585363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.42155109" y3="0.04229991" z3="6.46324047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06584266" y3="-1.86073031" z3="7.91808581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44080119" y3="0.36472683" z3="11.88225922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.05266572" y3="0.69951066" z3="12.81378623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.780347" y3="-0.67547228" z3="12.02806509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34086049" y3="0.97789548" z3="11.71319679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50971308" y3="0.45470742" z3="10.69014152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.87021119" y3="1.49732504" z3="10.58254088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.40802921" y3="-0.15802437" z3="10.89522374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09895524" y3="-0.02551234" z3="9.36168699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.5204127" y3="-1.0386312" z3="9.49090422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69255065" y3="-0.12332746" z3="8.59985328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16594636" y3="0.90961629" z3="8.82661615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20758041" y3="1.1524892" z3="9.41154844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83964434" y3="1.56337743" z3="7.98020264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5467,-1.6236,10.8468;-3.2042,-.6964,10.3552;-3.2506,-1.5778,11.9113;-4.6529,-1.6461,10.8059;-2.9498,-2.849,10.1618;-3.2585,-3.7747,10.6886;-1.8477,-2.8112,10.2053;-3.354,-2.9895,8.6929;-4.4516,-3.1244,8.6285;-2.8598,-3.8811,8.2683;-1.7656,-1.7636,7.4066;-.2694,-.3648,5.9478;.5102,-.9951,6.4164;.0767,.6891,6.0489;-.2939,-.6877,4.4399;.6805,-.4057,3.9855;-1.0603,-.0532,3.9531;-.5731,-2.1596,4.1379;-1.5876,-2.4091,4.4978;.1106,-2.7803,4.744;-.4317,-2.5508,2.663;-.5635,-3.6457,2.5681;.6019,-2.338,2.3234;-1.4171,-1.8539,1.7246;-2.4584,-2.027,2.052;-1.2554,-.7622,1.7044;-1.3207,-2.2254,.6879;-.9559,-2.665,7.6736;-1.5512,-.5793,6.6959;-2.4216,.0423,6.4632;-3.0658,-1.8607,7.9181;-.4408,.3647,11.8823;.0527,.6995,12.8138;-.7803,-.6755,12.0281;-1.3409,.9779,11.7132;.5097,.4547,10.6901;.8702,1.4973,10.5825;1.408,-.158,10.8952;-.099,-.0255,9.3617;-.5204,-1.0386,9.4909;.6926,-.1233,8.5999;-1.1659,.9096,8.8266;-2.2076,1.1525,9.4115;-.8396,1.5634,7.9802;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604679588040</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">0.001922101588 0.000298524635 0.022182405439 0.008704532192</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="126">-0.002337482 -0.000227509 0.000168064 0.000238215 0.000314117 0.000459770 0.000854216 0.001515487 0.001704892 0.002289374 0.002568381 0.003107405 0.003659106 0.004215965 0.005020503 0.005527771 0.006407061 0.007216188 0.008677544 0.009376226 0.011544046 0.012465262 0.012830991 0.018696293 0.020835691 0.021162464 0.024753601 0.026935091 0.030823014 0.032052393 0.033229760 0.034239499 0.034455316 0.036322081 0.040450560 0.044672360 0.046487225 0.046996063 0.048044781 0.051374123 0.052096563 0.052651640 0.054860322 0.057986535 0.059376771 0.059803773 0.067276791 0.068615482 0.071081846 0.072500803 0.074352786 0.077268183 0.077503763 0.079544497 0.081937064 0.082913587 0.090326906 0.097465711 0.098828916 0.100184004 0.106264046 0.109203030 0.113288272 0.113899108 0.115378465 0.129649645 0.135012191 0.136536808 0.138005619 0.139763691 0.146990345 0.156191329 0.162558986 0.168859683 0.171985991 0.176209342 0.178749820 0.188117647 0.196096108 0.203018802 0.209987348 0.218877109 0.233295662 0.250143439 0.252116407 0.291981674 0.309627593 0.342021121 0.381762314 0.415708892 0.430515376 0.474827925 0.506244197 0.543663536 0.587014792 0.611838469 0.623935887 0.661090777 0.734810955 0.737170017 0.750571983 0.755150139 0.770779328 0.778079337 0.781175016 0.785012507 0.787502210 0.797475709 0.805429940 0.814364305 0.821277024 0.827116777 0.846704279 0.847352549 0.849927630 0.864565391 0.891999076 0.900053938 0.900883391 0.904248475 0.915227035 0.918453754 0.933652125 0.971874309 1.446833554 1.544584323</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="-3.55437638" y3="-1.62440177" z3="10.83452299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21064742" y3="-0.69584468" z3="10.34631248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26783695" y3="-1.57808412" z3="11.90163975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66007284" y3="-1.65107822" z3="10.78372874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94711438" y3="-2.84729075" z3="10.15400343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25433079" y3="-3.77458154" z3="10.67900821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84543251" y3="-2.80389668" z3="10.20470989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34153028" y3="-2.98977583" z3="8.68286482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43796772" y3="-3.1307698" z3="8.61146588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83936687" y3="-3.87787044" z3="8.26024433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75427296" y3="-1.75641267" z3="7.40279679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26365417" y3="-0.35248727" z3="5.94396604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52064996" y3="-0.97933727" z3="6.41010545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08068396" y3="0.70279078" z3="6.03820689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29859008" y3="-0.68299296" z3="4.43783191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67389936" y3="-0.40638576" z3="3.97633663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0657267" y3="-0.04841378" z3="3.95196467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58469137" y3="-2.15596132" z3="4.14562836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60093291" y3="-2.39813864" z3="4.50517518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.094478" y3="-2.77594295" z3="4.75788273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44307017" y3="-2.55846009" z3="2.67368131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57935307" y3="-3.65371187" z3="2.58662198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5919469" y3="-2.35253684" z3="2.3344562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42409921" y3="-1.86403101" z3="1.72783542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46707991" y3="-2.03292828" z3="2.05187389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25975109" y3="-0.77258752" z3="1.70278649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32491384" y3="-2.2410528" z3="0.69331685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94369484" y3="-2.65841132" z3="7.66367022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54055694" y3="-0.56667664" z3="6.70068995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41267451" y3="0.05378274" z3="6.47047201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05473779" y3="-1.85822342" z3="7.91156567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44291747" y3="0.35751989" z3="11.88673465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04506372" y3="0.69672699" z3="12.81937065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.7736958" y3="-0.6852929" z3="12.03226941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34766557" y3="0.96261228" z3="11.71452849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50970496" y3="0.45523811" z3="10.69760053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86244189" y3="1.50059278" z3="10.59092274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.41226857" y3="-0.15044383" z3="10.90467378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.0943745" y3="-0.02846141" z3="9.36814684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51808334" y3="-1.04000814" z3="9.49877695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69943003" y3="-0.12943464" z3="8.61030422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15843542" y3="0.90703703" z3="8.82738794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2029104" y3="1.14936374" z3="9.40774624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82437092" y3="1.56565013" z3="7.98854524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5544,-1.6244,10.8345;-3.2106,-.6958,10.3463;-3.2678,-1.5781,11.9016;-4.6601,-1.6511,10.7837;-2.9471,-2.8473,10.154;-3.2543,-3.7746,10.679;-1.8454,-2.8039,10.2047;-3.3415,-2.9898,8.6829;-4.438,-3.1308,8.6115;-2.8394,-3.8779,8.2602;-1.7543,-1.7564,7.4028;-.2637,-.3525,5.944;.5206,-.9793,6.4101;.0807,.7028,6.0382;-.2986,-.683,4.4378;.6739,-.4064,3.9763;-1.0657,-.0484,3.952;-.5847,-2.156,4.1456;-1.6009,-2.3981,4.5052;.0945,-2.7759,4.7579;-.4431,-2.5585,2.6737;-.5794,-3.6537,2.5866;.5919,-2.3525,2.3345;-1.4241,-1.864,1.7278;-2.4671,-2.0329,2.0519;-1.2598,-.7726,1.7028;-1.3249,-2.2411,.6933;-.9437,-2.6584,7.6637;-1.5406,-.5667,6.7007;-2.4127,.0538,6.4705;-3.0547,-1.8582,7.9116;-.4429,.3575,11.8867;.0451,.6967,12.8194;-.7737,-.6853,12.0323;-1.3477,.9626,11.7145;.5097,.4552,10.6976;.8624,1.5006,10.5909;1.4123,-.1504,10.9047;-.0944,-.0285,9.3681;-.5181,-1.04,9.4988;.6994,-.1294,8.6103;-1.1584,.907,8.8274;-2.2029,1.1494,9.4077;-.8244,1.5657,7.9885;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604736113375</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">0.001194419197 0.000297291028 0.028593865624 0.008703752071</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="126">-0.000469598 -0.000087634 0.000181551 0.000259116 0.000345827 0.000494232 0.000882022 0.001594003 0.001706069 0.002293450 0.002576778 0.003143805 0.003565578 0.004210235 0.005020488 0.005518501 0.006405529 0.007233563 0.008675313 0.009457501 0.011556073 0.012550023 0.012903740 0.018699089 0.020833470 0.021268772 0.024765630 0.026937417 0.030822479 0.032054099 0.033235345 0.034247095 0.034458895 0.036326224 0.040450308 0.044695905 0.046488665 0.047034585 0.048070480 0.051403175 0.052100358 0.052717990 0.054939346 0.057994718 0.059376112 0.059802046 0.067277395 0.068608952 0.071079878 0.072502396 0.074353346 0.077265256 0.077507213 0.079545142 0.081943381 0.082919721 0.090326038 0.097464928 0.098828302 0.100183945 0.106264297 0.109203453 0.113291864 0.113950936 0.115378730 0.129651715 0.135023339 0.136566274 0.138014305 0.139855382 0.146997166 0.156188201 0.162600305 0.168859369 0.171990755 0.176307113 0.178753184 0.188170852 0.196098829 0.203050044 0.209999689 0.218919425 0.233331914 0.250183016 0.252120552 0.291985210 0.309629180 0.342022954 0.382266908 0.415711687 0.430517849 0.474828189 0.506523209 0.543732602 0.587157634 0.611854758 0.624160208 0.661092296 0.734853977 0.737169345 0.750587727 0.755150532 0.770779959 0.778117865 0.781282979 0.785017011 0.788004751 0.797476722 0.805433358 0.814382957 0.821281946 0.827820108 0.846848497 0.847354279 0.849969120 0.864578221 0.892000659 0.900139039 0.900974049 0.904297651 0.915234023 0.918469780 0.933658834 0.971912614 1.446948582 1.544613344</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="-3.55755893" y3="-1.62168115" z3="10.82935961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21329726" y3="-0.69359091" z3="10.34033478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.27157306" y3="-1.57458011" z3="11.89659037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66322665" y3="-1.64935082" z3="10.77795286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94867931" y3="-2.84444871" z3="10.15017276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25551835" y3="-3.77204273" z3="10.67499761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84704858" y3="-2.79976287" z3="10.20232201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3414582" y3="-2.98797333" z3="8.67869258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43777388" y3="-3.12867562" z3="8.60578515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83891777" y3="-3.87605781" z3="8.25671191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75284158" y3="-1.75310874" z3="7.40261795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2593292" y3="-0.34592954" z3="5.94971332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52533002" y3="-0.97253404" z3="6.41465166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08564664" y3="0.70878999" z3="6.04189632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2982945" y3="-0.6798892" z3="4.44464879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67442742" y3="-0.40770764" z3="3.98068424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0643714" y3="-0.04469515" z3="3.95818038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58906077" y3="-2.15299432" z3="4.15755805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60674133" y3="-2.39126319" z3="4.51679888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08715953" y3="-2.77279259" z3="4.77340086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44792485" y3="-2.56021731" z3="2.68722997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58730546" y3="-3.65475144" z3="2.6036256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58722013" y3="-2.35818468" z3="2.34736548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42712873" y3="-1.86627356" z3="1.73995014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47049411" y3="-2.03360176" z3="2.06447645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2616709" y3="-0.77506499" z3="1.7124648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32812706" y3="-2.24603402" z3="0.70627035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94332682" y3="-2.65701667" z3="7.65896386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53476815" y3="-0.55710575" z3="6.71016623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40709011" y3="0.0615887" z3="6.47670765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05357443" y3="-1.85658121" z3="7.90682253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44679716" y3="0.34250249" z3="11.8756852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03075021" y3="0.68212716" z3="12.81535157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.7634216" y3="-0.70909628" z3="12.01024369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.35882717" y3="0.93401841" z3="11.70038824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51005463" y3="0.46156091" z3="10.69032929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84650878" y3="1.51278065" z3="10.58887274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42134212" y3="-0.13131975" z3="10.89890558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.0816287" y3="-0.02727548" z3="9.35745658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49072163" y3="-1.04395824" z3="9.48550562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.71751413" y3="-0.11567186" z3="8.60458112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1570664" y3="0.89471404" z3="8.81505415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2036017" y3="1.12707053" z3="9.39874231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82514961" y3="1.56546589" z3="7.98414363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5576,-1.6217,10.8294;-3.2133,-.6936,10.3403;-3.2716,-1.5746,11.8966;-4.6632,-1.6494,10.778;-2.9487,-2.8444,10.1502;-3.2555,-3.772,10.675;-1.847,-2.7998,10.2023;-3.3415,-2.988,8.6787;-4.4378,-3.1287,8.6058;-2.8389,-3.8761,8.2567;-1.7528,-1.7531,7.4026;-.2593,-.3459,5.9497;.5253,-.9725,6.4147;.0856,.7088,6.0419;-.2983,-.6799,4.4446;.6744,-.4077,3.9807;-1.0644,-.0447,3.9582;-.5891,-2.153,4.1576;-1.6067,-2.3913,4.5168;.0872,-2.7728,4.7734;-.4479,-2.5602,2.6872;-.5873,-3.6548,2.6036;.5872,-2.3582,2.3474;-1.4271,-1.8663,1.74;-2.4705,-2.0336,2.0645;-1.2617,-.7751,1.7125;-1.3281,-2.246,.7063;-.9433,-2.657,7.659;-1.5348,-.5571,6.7102;-2.4071,.0616,6.4767;-3.0536,-1.8566,7.9068;-.4468,.3425,11.8757;.0308,.6821,12.8154;-.7634,-.7091,12.0102;-1.3588,.934,11.7004;.5101,.4616,10.6903;.8465,1.5128,10.5889;1.4213,-.1313,10.8989;-.0816,-.0273,9.3575;-.4907,-1.044,9.4855;.7175,-.1157,8.6046;-1.1571,.8947,8.8151;-2.2036,1.1271,9.3987;-.8251,1.5655,7.9841;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604834329814</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">0.002024579324 0.000350252171 0.026755690056 0.008703695191</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="126">-0.001090099 -0.000221974 0.000047343 0.000215072 0.000334676 0.000502932 0.000913104 0.001627407 0.001706189 0.002296251 0.002629049 0.003148238 0.003573402 0.004211227 0.005021099 0.005528483 0.006406874 0.007236156 0.008685007 0.009454719 0.011554004 0.012578667 0.013046528 0.018700070 0.020839771 0.021370127 0.024784952 0.026938124 0.030823180 0.032060867 0.033253231 0.034251539 0.034463517 0.036328939 0.040450595 0.044699156 0.046489497 0.047056399 0.048072615 0.051410720 0.052102481 0.052754863 0.054936857 0.057996915 0.059377922 0.059805230 0.067277617 0.068608240 0.071080545 0.072502837 0.074357824 0.077267380 0.077507402 0.079545671 0.081947705 0.082925457 0.090326785 0.097470728 0.098829178 0.100184170 0.106265116 0.109205357 0.113301115 0.114045208 0.115379746 0.129651950 0.135026367 0.136572644 0.138015278 0.139913714 0.147001088 0.156194626 0.162615475 0.168859118 0.171991689 0.176374581 0.178752725 0.188172697 0.196096157 0.203048377 0.210003067 0.218939084 0.233351106 0.250219352 0.252123982 0.291986804 0.309633585 0.342024319 0.382476841 0.415717766 0.430518719 0.474829308 0.506559375 0.543736015 0.587161518 0.611862962 0.624196856 0.661094304 0.734935794 0.737170961 0.750588755 0.755150714 0.770780277 0.778123058 0.781307527 0.785018871 0.788028455 0.797476735 0.805433692 0.814385760 0.821282903 0.828141941 0.846853037 0.847354438 0.849971499 0.864580572 0.892001117 0.900184137 0.901029462 0.904300179 0.915260584 0.918470922 0.933659326 0.971921026 1.446980823 1.544625718</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="-3.55586168" y3="-1.61583199" z3="10.839691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21442656" y3="-0.68813231" z3="10.34799375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26186681" y3="-1.56846966" z3="11.90473706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66192124" y3="-1.64291118" z3="10.79662584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9523093" y3="-2.83904911" z3="10.15664902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25751746" y3="-3.76634974" z3="10.68307898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85037922" y3="-2.79576887" z3="10.2024725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35316264" y3="-2.98236238" z3="8.68722053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45037336" y3="-3.11903875" z3="8.62019657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85638389" y3="-3.873266" z3="8.264265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76467877" y3="-1.75279382" z3="7.40611799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26741837" y3="-0.34933146" z3="5.95207874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51514347" y3="-0.97547866" z3="6.42142964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07586656" y3="0.70590676" z3="6.04742387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29609039" y3="-0.6812652" z3="4.44637372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67752823" y3="-0.40357752" z3="3.98829762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06268722" y3="-0.04965537" z3="3.95655011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57672526" y3="-2.15499676" z3="4.15555339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5917475" y3="-2.40122981" z3="4.51608382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10546351" y3="-2.77142162" z3="4.76793913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43507946" y3="-2.55683898" z3="2.6837995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56649181" y3="-3.65230798" z3="2.59717431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59813816" y3="-2.34630091" z3="2.34288325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42111987" y3="-1.86704059" z3="1.74037902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46218775" y3="-2.03902639" z3="2.06905524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26081886" y3="-0.77511831" z3="1.71261169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32455067" y3="-2.24583566" z3="0.7061592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9545844" y3="-2.6545483" z3="7.66984299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54689231" y3="-0.5620827" z3="6.70524245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41813827" y3="0.05715315" z3="6.46973498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06529596" y3="-1.85349882" z3="7.91148467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44265159" y3="0.32474886" z3="11.86799205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.0352201" y3="0.65537147" z3="12.81056751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.75579203" y3="-0.72893444" z3="11.99152754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.35679601" y3="0.91581029" z3="11.70100825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51175657" y3="0.45983417" z3="10.68222099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84341282" y3="1.5136864" z3="10.59069913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42607222" y3="-0.13144515" z3="10.88303751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.07968741" y3="-0.01928759" z3="9.34589088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48121899" y3="-1.04026795" z3="9.46432713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.7188134" y3="-0.09555003" z3="8.59134474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16274804" y3="0.89948826" z3="8.81324139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20535574" y3="1.12802332" z3="9.40489595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84281799" y3="1.56837862" z3="7.9764742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5559,-1.6158,10.8397;-3.2144,-.6881,10.348;-3.2619,-1.5685,11.9047;-4.6619,-1.6429,10.7966;-2.9523,-2.839,10.1566;-3.2575,-3.7663,10.6831;-1.8504,-2.7958,10.2025;-3.3532,-2.9824,8.6872;-4.4504,-3.119,8.6202;-2.8564,-3.8733,8.2643;-1.7647,-1.7528,7.4061;-.2674,-.3493,5.9521;.5151,-.9755,6.4214;.0759,.7059,6.0474;-.2961,-.6813,4.4464;.6775,-.4036,3.9883;-1.0627,-.0497,3.9566;-.5767,-2.155,4.1556;-1.5917,-2.4012,4.5161;.1055,-2.7714,4.7679;-.4351,-2.5568,2.6838;-.5665,-3.6523,2.5972;.5981,-2.3463,2.3429;-1.4211,-1.867,1.7404;-2.4622,-2.039,2.0691;-1.2608,-.7751,1.7126;-1.3246,-2.2458,.7062;-.9546,-2.6545,7.6698;-1.5469,-.5621,6.7052;-2.4181,.0572,6.4697;-3.0653,-1.8535,7.9115;-.4427,.3247,11.868;.0352,.6554,12.8106;-.7558,-.7289,11.9915;-1.3568,.9158,11.701;.5118,.4598,10.6822;.8434,1.5137,10.5907;1.4261,-.1314,10.883;-.0797,-.0193,9.3459;-.4812,-1.0403,9.4643;.7188,-.0956,8.5913;-1.1627,.8995,8.8132;-2.2054,1.128,9.4049;-.8428,1.5684,7.9765;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604803439601</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">0.001886444139 0.000345657190 0.038700913266 0.008704137274</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="126">-0.001536840 -0.000496760 0.000196873 0.000239509 0.000343741 0.000485143 0.000941747 0.001644506 0.001706943 0.002300024 0.002704249 0.003180164 0.003563000 0.004219748 0.005029746 0.005572527 0.006406405 0.007264203 0.008683439 0.009459923 0.011549368 0.012572402 0.013093837 0.018699307 0.020842543 0.021522612 0.024819017 0.026939234 0.030822824 0.032087389 0.033254271 0.034253595 0.034471587 0.036328263 0.040450509 0.044697088 0.046489113 0.047059558 0.048071508 0.051424985 0.052112781 0.052836690 0.054934484 0.058000900 0.059376140 0.059792337 0.067278568 0.068608505 0.071079476 0.072501622 0.074371270 0.077269736 0.077507639 0.079545036 0.081955086 0.082926195 0.090327899 0.097478109 0.098829567 0.100184058 0.106264625 0.109205956 0.113302178 0.114069739 0.115379665 0.129652486 0.135025929 0.136592019 0.138016338 0.139925982 0.147000033 0.156192715 0.162620724 0.168859937 0.171990813 0.176415409 0.178753551 0.188188467 0.196095633 0.203046320 0.210003746 0.218951948 0.233415314 0.250226272 0.252121886 0.291983988 0.309638813 0.342023750 0.382701363 0.415737519 0.430521470 0.474829454 0.506577865 0.543743146 0.587170117 0.611866160 0.624257035 0.661102951 0.734975664 0.737171089 0.750589089 0.755151002 0.770780499 0.778123094 0.781310381 0.785022323 0.788027016 0.797476750 0.805433556 0.814393197 0.821286280 0.828420977 0.846852908 0.847354836 0.849971979 0.864576874 0.892000880 0.900190385 0.901048375 0.904300911 0.915302190 0.918472477 0.933659671 0.971941484 1.447025037 1.544651964</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="-3.55140258" y3="-1.62234636" z3="10.8414269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.20838446" y3="-0.69503602" z3="10.34994843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25553834" y3="-1.57707079" z3="11.90606974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65761221" y3="-1.64600346" z3="10.80035932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95293456" y3="-2.84694972" z3="10.15626753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26113045" y3="-3.77367491" z3="10.68185178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85084727" y3="-2.80802673" z3="10.20122724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35549113" y3="-2.98717604" z3="8.68703842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45306903" y3="-3.12078783" z3="8.62084964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.86140295" y3="-3.87874835" z3="8.26231395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76513578" y3="-1.75939385" z3="7.40630191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26588041" y3="-0.35425385" z3="5.95554476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51597973" y3="-0.98323572" z3="6.42246919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07956235" y3="0.70014016" z3="6.05354936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29611964" y3="-0.68160923" z3="4.44898518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67758959" y3="-0.40248619" z3="3.99129717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06312864" y3="-0.04799262" z3="3.96155749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57734906" y3="-2.15480049" z3="4.15326082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59301853" y3="-2.40199015" z3="4.51210028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10443304" y3="-2.77376739" z3="4.7640281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43503201" y3="-2.55198121" z3="2.68030295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.5685529" y3="-3.64720084" z3="2.58987101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59919287" y3="-2.34224695" z3="2.34127088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41888627" y3="-1.85679947" z3="1.73797682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.4603763" y3="-2.0250485" z3="2.06658544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25423571" y3="-0.76539258" z3="1.71163376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32440157" y3="-2.2342641" z3="0.70324744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95735165" y3="-2.6641317" z3="7.6651636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54482496" y3="-0.56616895" z3="6.70978398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41574032" y3="0.05443203" z3="6.47518059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06542455" y3="-1.85800997" z3="7.91264798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44088586" y3="0.35291031" z3="11.8670743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04203988" y3="0.69407238" z3="12.80263504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.76340666" y3="-0.69484344" z3="12.00827541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34992927" y3="0.94882337" z3="11.69215751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51209278" y3="0.46028048" z3="10.67865863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.85398678" y3="1.50838475" z3="10.57034927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.4207119" y3="-0.13602303" z3="10.88692891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.08724035" y3="-0.03162909" z3="9.35098601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49765383" y3="-1.04666964" z3="9.4840989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.7083257" y3="-0.12415456" z3="8.59581152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16459733" y3="0.88931966" z3="8.81034796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20954878" y3="1.12147114" z3="9.39639472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83574305" y3="1.55946675" z3="7.97854299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5514,-1.6223,10.8414;-3.2084,-.695,10.3499;-3.2555,-1.5771,11.9061;-4.6576,-1.646,10.8004;-2.9529,-2.8469,10.1563;-3.2611,-3.7737,10.6819;-1.8508,-2.808,10.2012;-3.3555,-2.9872,8.687;-4.4531,-3.1208,8.6208;-2.8614,-3.8787,8.2623;-1.7651,-1.7594,7.4063;-.2659,-.3543,5.9555;.516,-.9832,6.4225;.0796,.7001,6.0535;-.2961,-.6816,4.449;.6776,-.4025,3.9913;-1.0631,-.048,3.9616;-.5773,-2.1548,4.1533;-1.593,-2.402,4.5121;.1044,-2.7738,4.764;-.435,-2.552,2.6803;-.5686,-3.6472,2.5899;.5992,-2.3422,2.3413;-1.4189,-1.8568,1.738;-2.4604,-2.025,2.0666;-1.2542,-.7654,1.7116;-1.3244,-2.2343,.7032;-.9574,-2.6641,7.6652;-1.5448,-.5662,6.7098;-2.4157,.0544,6.4752;-3.0654,-1.858,7.9126;-.4409,.3529,11.8671;.042,.6941,12.8026;-.7634,-.6948,12.0083;-1.3499,.9488,11.6922;.5121,.4603,10.6787;.854,1.5084,10.5703;1.4207,-.136,10.8869;-.0872,-.0316,9.351;-.4977,-1.0467,9.4841;.7083,-.1242,8.5958;-1.1646,.8893,8.8103;-2.2095,1.1215,9.3964;-.8357,1.5595,7.9785;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604797762975</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">0.002059090972 0.000304610556 0.028983256533 0.008703125716</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="126">-0.002101351 -0.000322087 0.000196001 0.000271435 0.000360209 0.000486114 0.001205664 0.001571818 0.001727693 0.002293310 0.002661562 0.003263556 0.003564715 0.004225613 0.005041741 0.005630256 0.006408695 0.007291139 0.008699163 0.009409038 0.011541453 0.012568442 0.013168778 0.018699220 0.020842709 0.021523296 0.024831796 0.026941208 0.030822237 0.032121909 0.033250781 0.034258857 0.034490432 0.036328725 0.040450714 0.044696815 0.046489089 0.047067743 0.048072686 0.051417873 0.052118442 0.052883444 0.054920287 0.058021469 0.059402228 0.059951653 0.067278483 0.068611169 0.071103369 0.072506893 0.074372440 0.077268545 0.077513629 0.079546056 0.081954168 0.082926083 0.090327359 0.097505386 0.098830163 0.100184157 0.106266279 0.109206166 0.113304325 0.114117354 0.115380575 0.129653647 0.135028395 0.136620557 0.138017756 0.139944000 0.147002519 0.156209037 0.162620909 0.168860560 0.171993375 0.176545248 0.178755910 0.188201488 0.196110815 0.203128829 0.210022497 0.218998582 0.233487706 0.250454443 0.252121886 0.291991176 0.309648275 0.342026673 0.382839370 0.415740262 0.430522059 0.474830749 0.506580822 0.543750191 0.587186930 0.611866231 0.624270051 0.661102957 0.735045480 0.737173665 0.750618052 0.755156594 0.770791276 0.778133406 0.781365286 0.785022126 0.788060453 0.797476805 0.805446027 0.814395304 0.821289360 0.829114937 0.846887064 0.847356828 0.849979570 0.864601684 0.892002949 0.900244853 0.901070106 0.904315949 0.915301024 0.918476341 0.933664647 0.971959262 1.447041855 1.544662196</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="-3.55793611" y3="-1.61997531" z3="10.84222036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21474003" y3="-0.69223698" z3="10.35219645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26959645" y3="-1.5720762" z3="11.90879633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66375151" y3="-1.64653389" z3="10.79340869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95171663" y3="-2.84382131" z3="10.16250888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25874809" y3="-3.77029886" z3="10.68923701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84996575" y3="-2.80062673" z3="10.21213164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34784229" y3="-2.98887772" z3="8.69191827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44449413" y3="-3.12998753" z3="8.62236918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8464799" y3="-3.87828649" z3="8.27106044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76198616" y3="-1.7592678" z3="7.40548002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.27053254" y3="-0.35617802" z3="5.94441319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51333816" y3="-0.98166375" z3="6.41344631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07089644" y3="0.69995928" z3="6.04171887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29680588" y3="-0.6845908" z3="4.43727562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67642714" y3="-0.40388544" z3="3.98062569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0642256" y3="-0.05300041" z3="3.94861992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57470873" y3="-2.15761766" z3="4.14104073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58895865" y3="-2.40661881" z3="4.5013562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10907233" y3="-2.77516796" z3="4.75046205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43293969" y3="-2.55409515" z3="2.66766589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56458317" y3="-3.64935768" z3="2.57708852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.60041957" y3="-2.34260251" z3="2.32735371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41898666" y3="-1.86088731" z3="1.72636606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.45955035" y3="-2.03174" z3="2.0563069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25694286" y3="-0.76909202" z3="1.6994894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32502355" y3="-2.23795078" z3="0.69159437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95008603" y3="-2.65900359" z3="7.67204927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.55040504" y3="-0.57373579" z3="6.69556416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.42213307" y3="0.0467169" z3="6.46490501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06189726" y3="-1.85942727" z3="7.91700909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43795817" y3="0.35115388" z3="11.88180472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.05045414" y3="0.68164767" z3="12.81941523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.77102712" y3="-0.69557889" z3="12.01670046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34107511" y3="0.95738036" z3="11.71252654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51373125" y3="0.45527946" z3="10.69103655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.86764809" y3="1.50056553" z3="10.58877555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.41582449" y3="-0.15381195" z3="10.89343341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09322075" y3="-0.02370096" z3="9.36144873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.51437501" y3="-1.03423211" z3="9.49160161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69897569" y3="-0.12310873" z3="8.60414345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16182496" y3="0.90956436" z3="8.82775019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20300775" y3="1.15045439" z3="9.4154771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83762404" y3="1.56570191" z3="7.98258108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5579,-1.62,10.8422;-3.2147,-.6922,10.3522;-3.2696,-1.5721,11.9088;-4.6638,-1.6465,10.7934;-2.9517,-2.8438,10.1625;-3.2587,-3.7703,10.6892;-1.85,-2.8006,10.2121;-3.3478,-2.9889,8.6919;-4.4445,-3.13,8.6224;-2.8465,-3.8783,8.2711;-1.762,-1.7593,7.4055;-.2705,-.3562,5.9444;.5133,-.9817,6.4134;.0709,.7,6.0417;-.2968,-.6846,4.4373;.6764,-.4039,3.9806;-1.0642,-.053,3.9486;-.5747,-2.1576,4.141;-1.589,-2.4066,4.5014;.1091,-2.7752,4.7505;-.4329,-2.5541,2.6677;-.5646,-3.6494,2.5771;.6004,-2.3426,2.3274;-1.419,-1.8609,1.7264;-2.4596,-2.0317,2.0563;-1.2569,-.7691,1.6995;-1.325,-2.238,.6916;-.9501,-2.659,7.672;-1.5504,-.5737,6.6956;-2.4221,.0467,6.4649;-3.0619,-1.8594,7.917;-.438,.3512,11.8818;.0505,.6816,12.8194;-.771,-.6956,12.0167;-1.3411,.9574,11.7125;.5137,.4553,10.691;.8676,1.5006,10.5888;1.4158,-.1538,10.8934;-.0932,-.0237,9.3614;-.5144,-1.0342,9.4916;.699,-.1231,8.6041;-1.1618,.9096,8.8278;-2.203,1.1505,9.4155;-.8376,1.5657,7.9826;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604690841444</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">0.003484994268 0.000548799659 0.028054065594 0.008703931954</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="126">-0.001153841 -0.000213317 0.000119503 0.000225137 0.000364102 0.000473772 0.001124806 0.001679609 0.001723794 0.002314133 0.002820492 0.003197235 0.003695706 0.004201868 0.005057284 0.005718327 0.006411660 0.007430006 0.008712106 0.009398645 0.011533513 0.012584537 0.013359216 0.018705626 0.020882814 0.021857022 0.024932974 0.026959056 0.030827761 0.032197839 0.033259516 0.034265977 0.034519871 0.036340510 0.040452470 0.044722989 0.046489118 0.047089932 0.048084994 0.051476376 0.052143875 0.053363457 0.054931248 0.058053261 0.059406196 0.059965016 0.067280284 0.068672789 0.071109871 0.072509874 0.074409583 0.077270906 0.077514309 0.079549127 0.081974650 0.082940692 0.090328885 0.097554508 0.098829847 0.100185339 0.106266727 0.109200578 0.113319335 0.114573381 0.115393150 0.129660179 0.135034883 0.136680822 0.138020168 0.140184851 0.147008849 0.156237110 0.162663624 0.168862202 0.172007385 0.177170158 0.178821175 0.188385401 0.196102545 0.203253435 0.210004122 0.219105888 0.233894107 0.250344738 0.252132503 0.292027077 0.309657475 0.342034989 0.384006417 0.415827854 0.430552351 0.474845672 0.506830358 0.543822896 0.587405983 0.611872269 0.624939018 0.661186310 0.735606695 0.737231881 0.750662211 0.755167351 0.770793017 0.778146311 0.781434652 0.785133029 0.788322238 0.797478676 0.805498747 0.814416844 0.821291729 0.832542591 0.846908806 0.847359896 0.850002197 0.864664245 0.892017919 0.900487448 0.901440984 0.904327669 0.915437977 0.918567925 0.933667752 0.972048019 1.447369926 1.544868743</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="-3.5689341" y3="-1.61759557" z3="10.83421851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.22363992" y3="-0.6904424" z3="10.34430706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.28676988" y3="-1.56752878" z3="11.90236306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.67445127" y3="-1.6467529" z3="10.77904359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95617996" y3="-2.84152493" z3="10.16022607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26246418" y3="-3.76809294" z3="10.687334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85469612" y3="-2.79457423" z3="10.21535449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34518074" y3="-2.99139577" z3="8.68834702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44104528" y3="-3.13523688" z3="8.61354256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83934808" y3="-3.88005064" z3="8.27108616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75812286" y3="-1.75940263" z3="7.40687378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26608861" y3="-0.350492" z3="5.95228501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51834693" y3="-0.97755074" z3="6.41630355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07758439" y3="0.70418957" z3="6.0483991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30087335" y3="-0.67853783" z3="4.44639005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67065612" y3="-0.39625618" z3="3.98482492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07149762" y3="-0.04728365" z3="3.96155049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57925846" y3="-2.15319746" z3="4.15349026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59407674" y3="-2.40239901" z3="4.5143205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10469407" y3="-2.76991669" z3="4.76418581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43805194" y3="-2.55278282" z3="2.68113823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57270084" y3="-3.64757675" z3="2.59270903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59593258" y3="-2.34456446" z3="2.34101653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42118639" y3="-1.8587764" z3="1.73818269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46364686" y3="-2.02727746" z3="2.06598924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25657015" y3="-0.76746159" z3="1.7114946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32478319" y3="-2.23783745" z3="0.70375195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94782434" y3="-2.66194148" z3="7.66518225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54205726" y3="-0.56516385" z3="6.71059105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.4151091" y3="0.05269911" z3="6.47778899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05835095" y3="-1.86216223" z3="7.91288486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43623089" y3="0.34611297" z3="11.8697321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.04602651" y3="0.68728161" z3="12.80493588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.75637446" y3="-0.7013153" z3="12.01013709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.34703896" y3="0.94269973" z3="11.69735999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51627057" y3="0.45746943" z3="10.68095517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.856346" y3="1.50705539" z3="10.57495034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42633111" y3="-0.13762924" z3="10.8871842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.08283133" y3="-0.03284687" z3="9.35263713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49332782" y3="-1.04991055" z3="9.4834892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.71245105" y3="-0.12334665" z3="8.59412573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15971838" y3="0.88943244" z3="8.8128842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20453227" y3="1.12240033" z3="9.39858755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8300388" y3="1.55887108" z3="7.98021885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5689,-1.6176,10.8342;-3.2236,-.6904,10.3443;-3.2868,-1.5675,11.9024;-4.6745,-1.6468,10.779;-2.9562,-2.8415,10.1602;-3.2625,-3.7681,10.6873;-1.8547,-2.7946,10.2154;-3.3452,-2.9914,8.6883;-4.441,-3.1352,8.6135;-2.8393,-3.8801,8.2711;-1.7581,-1.7594,7.4069;-.2661,-.3505,5.9523;.5183,-.9776,6.4163;.0776,.7042,6.0484;-.3009,-.6785,4.4464;.6707,-.3963,3.9848;-1.0715,-.0473,3.9616;-.5793,-2.1532,4.1535;-1.5941,-2.4024,4.5143;.1047,-2.7699,4.7642;-.4381,-2.5528,2.6811;-.5727,-3.6476,2.5927;.5959,-2.3446,2.341;-1.4212,-1.8588,1.7382;-2.4636,-2.0273,2.066;-1.2566,-.7675,1.7115;-1.3248,-2.2378,.7038;-.9478,-2.6619,7.6652;-1.5421,-.5652,6.7106;-2.4151,.0527,6.4778;-3.0584,-1.8622,7.9129;-.4362,.3461,11.8697;.046,.6873,12.8049;-.7564,-.7013,12.0101;-1.347,.9427,11.6974;.5163,.4575,10.681;.8563,1.5071,10.575;1.4263,-.1376,10.8872;-.0828,-.0328,9.3526;-.4933,-1.0499,9.4835;.7125,-.1233,8.5941;-1.1597,.8894,8.8129;-2.2045,1.1224,9.3986;-.83,1.5589,7.9802;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604803586535</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">0.001737326347 0.000280914040 0.030464944934 0.008704482388</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="126">-0.000706784 -0.000030528 0.000146190 0.000205662 0.000308074 0.000534435 0.001205148 0.001677943 0.001727674 0.002320493 0.002831993 0.003202167 0.003722393 0.004209402 0.005063439 0.005715010 0.006445095 0.007427068 0.008728593 0.009385892 0.011534520 0.012585130 0.013336398 0.018706826 0.020894661 0.021859792 0.024936985 0.026961355 0.030829718 0.032203543 0.033280990 0.034269620 0.034522500 0.036343489 0.040453448 0.044745292 0.046493331 0.047092370 0.048084887 0.051479243 0.052145834 0.053400497 0.054947775 0.058060928 0.059407255 0.059968097 0.067280400 0.068719589 0.071115690 0.072512458 0.074420042 0.077271406 0.077527530 0.079549963 0.081983560 0.082944995 0.090329160 0.097560533 0.098830081 0.100186420 0.106268094 0.109209798 0.113321268 0.114691265 0.115395570 0.129664278 0.135037954 0.136683956 0.138022482 0.140241795 0.147020301 0.156244387 0.162678795 0.168861689 0.172010621 0.177257731 0.178836824 0.188424048 0.196111083 0.203274068 0.210031742 0.219131957 0.233949347 0.250491873 0.252138207 0.292052961 0.309657952 0.342037142 0.384178880 0.415847568 0.430555974 0.474849944 0.506870590 0.543859308 0.587460301 0.611881252 0.625011629 0.661200713 0.735689635 0.737240630 0.750670487 0.755173189 0.770795866 0.778153181 0.781490815 0.785186619 0.788426262 0.797478804 0.805515417 0.814420960 0.821293236 0.833195748 0.846922139 0.847365598 0.850003508 0.864672080 0.892030190 0.900546830 0.901698159 0.904347233 0.915535994 0.918585852 0.933678286 0.972124397 1.447450137 1.544891104</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="-3.56221185" y3="-1.61797395" z3="10.83107399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21779364" y3="-0.68999038" z3="10.34182112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.27497342" y3="-1.57145123" z3="11.89797377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66792041" y3="-1.64579742" z3="10.7809947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95381769" y3="-2.84041622" z3="10.15086964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26023741" y3="-3.76836293" z3="10.67524943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85222327" y3="-2.79561753" z3="10.2025382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34727724" y3="-2.98368564" z3="8.67965436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4437276" y3="-3.12232146" z3="8.60706494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84649586" y3="-3.87269242" z3="8.25760613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7571445" y3="-1.75045509" z3="7.40476393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26146378" y3="-0.34211234" z3="5.95408816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52372554" y3="-0.96819884" z3="6.41875628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08293617" y3="0.71282741" z3="6.04576585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30127157" y3="-0.67644469" z3="4.44957489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66933678" y3="-0.3985542" z3="3.98412499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.071923" y3="-0.0454845" z3="3.96425856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58380913" y3="-2.15174276" z3="4.16371912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59938064" y3="-2.39624547" z3="4.52498257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09778963" y3="-2.76730856" z3="4.77810219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44279335" y3="-2.55902578" z3="2.69340784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57705568" y3="-3.65467148" z3="2.61046382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59137972" y3="-2.352243" z3="2.35256063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42605586" y3="-1.86962221" z3="1.74674797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46850605" y3="-2.03903291" z3="2.07301299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26355084" y3="-0.77799518" z3="1.71775054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32740719" y3="-2.2506019" z3="0.71341873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94871729" y3="-2.65540469" z3="7.65967021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53614207" y3="-0.55219066" z3="6.71608759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40853743" y3="0.06597013" z3="6.48111087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05786533" y3="-1.85308357" z3="7.90700662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44406181" y3="0.328135" z3="11.86556256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02963641" y3="0.66969648" z3="12.8050525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.75021699" y3="-0.72484223" z3="11.99779545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.36217723" y3="0.91223479" z3="11.69245934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51235785" y3="0.46093961" z3="10.68206839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.83785618" y3="1.51615339" z3="10.58503349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42992441" y3="-0.12265642" z3="10.88888925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.07361704" y3="-0.02810338" z3="9.34710839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47255487" y3="-1.05058474" z3="9.46942821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.72746541" y3="-0.10449794" z3="8.59386065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15746377" y3="0.88636933" z3="8.80656171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20393924" y3="1.11197952" z3="9.39352654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82843688" y3="1.5644934" z3="7.98080575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5622,-1.618,10.8311;-3.2178,-.69,10.3418;-3.275,-1.5715,11.898;-4.6679,-1.6458,10.781;-2.9538,-2.8404,10.1509;-3.2602,-3.7684,10.6752;-1.8522,-2.7956,10.2025;-3.3473,-2.9837,8.6797;-4.4437,-3.1223,8.6071;-2.8465,-3.8727,8.2576;-1.7571,-1.7505,7.4048;-.2615,-.3421,5.9541;.5237,-.9682,6.4188;.0829,.7128,6.0458;-.3013,-.6764,4.4496;.6693,-.3986,3.9841;-1.0719,-.0455,3.9643;-.5838,-2.1517,4.1637;-1.5994,-2.3962,4.525;.0978,-2.7673,4.7781;-.4428,-2.559,2.6934;-.5771,-3.6547,2.6105;.5914,-2.3522,2.3526;-1.4261,-1.8696,1.7467;-2.4685,-2.039,2.073;-1.2636,-.778,1.7178;-1.3274,-2.2506,.7134;-.9487,-2.6554,7.6597;-1.5361,-.5522,6.7161;-2.4085,.066,6.4811;-3.0579,-1.8531,7.907;-.4441,.3281,11.8656;.0296,.6697,12.8051;-.7502,-.7248,11.9978;-1.3622,.9122,11.6925;.5124,.4609,10.6821;.8379,1.5162,10.585;1.4299,-.1227,10.8889;-.0736,-.0281,9.3471;-.4726,-1.0506,9.4694;.7275,-.1045,8.5939;-1.1575,.8864,8.8066;-2.2039,1.112,9.3935;-.8284,1.5645,7.9808;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604877083841</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">0.000933380943 0.000159755936 0.023519739701 0.008703777301</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="126">-0.000933086 -0.000121851 0.000132027 0.000184788 0.000353325 0.000583550 0.001095496 0.001664671 0.001727164 0.002319106 0.002806309 0.003221489 0.003645739 0.004208496 0.005054738 0.005703226 0.006436945 0.007414362 0.008711079 0.009405977 0.011534665 0.012587145 0.013322334 0.018711261 0.020889438 0.021873883 0.024938577 0.026962084 0.030827793 0.032203583 0.033288088 0.034274976 0.034524080 0.036348350 0.040453786 0.044742855 0.046493094 0.047099079 0.048090495 0.051486372 0.052146792 0.053396869 0.054947288 0.058059620 0.059407863 0.059962370 0.067281528 0.068752222 0.071117950 0.072511920 0.074430106 0.077274158 0.077526686 0.079554351 0.081992729 0.082956361 0.090330851 0.097558668 0.098830041 0.100186410 0.106267810 0.109213025 0.113321807 0.114697706 0.115394628 0.129663998 0.135040411 0.136683027 0.138025791 0.140267853 0.147025606 0.156240665 0.162683669 0.168862646 0.172011034 0.177282424 0.178834190 0.188425507 0.196108809 0.203262939 0.210040805 0.219127460 0.233978407 0.250499548 0.252140717 0.292053314 0.309657849 0.342037083 0.384201218 0.415849277 0.430557695 0.474847585 0.506893051 0.543860568 0.587460626 0.611879362 0.625005675 0.661201791 0.735692386 0.737236540 0.750668348 0.755173488 0.770795102 0.778152749 0.781493051 0.785193455 0.788433137 0.797477935 0.805508226 0.814421399 0.821291272 0.833229443 0.846922411 0.847365716 0.850003620 0.864667514 0.892027901 0.900541535 0.901723037 0.904348614 0.915528998 0.918584922 0.933677189 0.972121954 1.447452322 1.544890793</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="-3.54743435" y3="-1.62003299" z3="10.83249343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.20606186" y3="-0.69017958" z3="10.34478517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25202446" y3="-1.57829687" z3="11.89738136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65355099" y3="-1.64623866" z3="10.79068437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94545432" y3="-2.84012728" z3="10.14232126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2509871" y3="-3.77013249" z3="10.66360045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84343818" y3="-2.79803119" z3="10.18716845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34747935" y3="-2.97435207" z3="8.67251063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44488801" y3="-3.10831269" z3="8.60503248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85249491" y3="-3.86351449" z3="8.24365258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75700538" y3="-1.7391107" z3="7.4005801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26109547" y3="-0.33513361" z3="5.94714987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5237165" y3="-0.95900249" z3="6.41516436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08276888" y3="0.72020538" z3="6.03467159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29940645" y3="-0.67644905" z3="4.4438414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67280006" y3="-0.40289182" z3="3.97854898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06807544" y3="-0.04603656" z3="3.95421635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58530372" y3="-2.15292822" z3="4.16504419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60159993" y3="-2.3935976" z3="4.52773237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09504779" y3="-2.76707903" z3="4.78264289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4460684" y3="-2.56838419" z3="2.69687773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.5821997" y3="-3.66387261" z3="2.62048897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58767984" y3="-2.36520549" z3="2.35386639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42921888" y3="-1.88375192" z3="1.74662752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47177877" y3="-2.05464107" z3="2.07187775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2690583" y3="-0.79187973" z3="1.71401603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3283658" y3="-2.26835032" z3="0.71465528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94825296" y3="-2.64348608" z3="7.65830144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53662893" y3="-0.54393294" z3="6.70788373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.4081281" y3="0.07600069" z3="6.47386688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05794786" y3="-1.84130276" z3="7.9037178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45411705" y3="0.31211739" z3="11.87234551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01612283" y3="0.64617674" z3="12.81594535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.75828727" y3="-0.74199001" z3="11.99458578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37286999" y3="0.89645044" z3="11.70262283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50558665" y3="0.45799616" z3="10.69365404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.83001421" y3="1.51393612" z3="10.60819063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42285964" y3="-0.12586042" z3="10.89830587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.07475986" y3="-0.01797914" z3="9.35165839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47393541" y3="-1.04213711" z3="9.46081531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.72893393" y3="-0.08617342" z3="8.60001935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15582534" y3="0.90201529" z3="8.8150964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20135155" y3="1.12869212" z3="9.40158361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82879803" y3="1.57619161" z3="7.986148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5474,-1.62,10.8325;-3.2061,-.6902,10.3448;-3.252,-1.5783,11.8974;-4.6536,-1.6462,10.7907;-2.9455,-2.8401,10.1423;-3.251,-3.7701,10.6636;-1.8434,-2.798,10.1872;-3.3475,-2.9744,8.6725;-4.4449,-3.1083,8.605;-2.8525,-3.8635,8.2437;-1.757,-1.7391,7.4006;-.2611,-.3351,5.9471;.5237,-.959,6.4152;.0828,.7202,6.0347;-.2994,-.6764,4.4438;.6728,-.4029,3.9785;-1.0681,-.046,3.9542;-.5853,-2.1529,4.165;-1.6016,-2.3936,4.5277;.095,-2.7671,4.7826;-.4461,-2.5684,2.6969;-.5822,-3.6639,2.6205;.5877,-2.3652,2.3539;-1.4292,-1.8838,1.7466;-2.4718,-2.0546,2.0719;-1.2691,-.7919,1.714;-1.3284,-2.2684,.7147;-.9483,-2.6435,7.6583;-1.5366,-.5439,6.7079;-2.4081,.076,6.4739;-3.0579,-1.8413,7.9037;-.4541,.3121,11.8723;.0161,.6462,12.8159;-.7583,-.742,11.9946;-1.3729,.8965,11.7026;.5056,.458,10.6937;.83,1.5139,10.6082;1.4229,-.1259,10.8983;-.0748,-.018,9.3517;-.4739,-1.0421,9.4608;.7289,-.0862,8.6;-1.1558,.902,8.8151;-2.2014,1.1287,9.4016;-.8288,1.5762,7.9861;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604853556329</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">0.001139375788 0.000298960340 0.025654685973 0.008703286677</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="126">-0.000371291 -0.000283117 0.000114917 0.000291711 0.000356545 0.000650113 0.001105185 0.001668772 0.001727425 0.002318354 0.002814162 0.003218395 0.003651741 0.004208129 0.005054753 0.005711195 0.006442594 0.007423093 0.008726777 0.009405283 0.011534757 0.012586914 0.013324434 0.018712120 0.020891348 0.021886265 0.024939962 0.026962965 0.030831887 0.032204643 0.033292844 0.034274369 0.034526406 0.036347670 0.040453931 0.044748295 0.046493258 0.047099174 0.048090225 0.051488643 0.052147048 0.053398736 0.054950581 0.058060286 0.059408167 0.059964099 0.067281388 0.068751088 0.071124200 0.072512614 0.074432004 0.077276295 0.077526997 0.079554048 0.081991828 0.082955594 0.090330981 0.097558469 0.098830105 0.100186434 0.106267557 0.109215119 0.113321825 0.114718164 0.115395588 0.129664814 0.135039903 0.136683161 0.138029467 0.140267462 0.147025100 0.156242820 0.162682937 0.168863348 0.172018118 0.177290495 0.178836065 0.188433399 0.196121955 0.203260014 0.210046791 0.219132024 0.233981797 0.250549046 0.252141478 0.292055187 0.309657807 0.342040087 0.384232730 0.415853678 0.430558422 0.474850631 0.506898619 0.543875092 0.587495455 0.611882457 0.625108553 0.661205434 0.735705004 0.737241352 0.750668976 0.755173738 0.770805740 0.778160064 0.781509919 0.785198189 0.788475417 0.797477876 0.805510042 0.814428641 0.821295176 0.833309845 0.846939285 0.847366555 0.850005077 0.864667664 0.892030876 0.900552094 0.901759736 0.904349432 0.915564858 0.918584606 0.933677077 0.972123317 1.447509486 1.544907630</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="-3.55147337" y3="-1.61510579" z3="10.83686292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21140658" y3="-0.68557235" z3="10.34819558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.25748937" y3="-1.5702896" z3="11.90193992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.65742446" y3="-1.64288239" z3="10.79356254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94697119" y3="-2.83549207" z3="10.14979192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25131389" y3="-3.76455082" z3="10.67334807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84513201" y3="-2.79136949" z3="10.19482017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34826481" y3="-2.9737327" z3="8.68010439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4453811" y3="-3.11150128" z3="8.61324474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85076024" y3="-3.86274357" z3="8.25391093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76110031" y3="-1.73966382" z3="7.40142921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26916594" y3="-0.33984749" z3="5.9397152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51552476" y3="-0.96107382" z3="6.41202257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07081881" y3="0.71693319" z3="6.02919058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29796284" y3="-0.67967053" z3="4.43575165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67506876" y3="-0.40226884" z3="3.97512097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06653793" y3="-0.05166754" z3="3.94352769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57738657" y3="-2.1560065" z3="4.15400074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59183396" y3="-2.40085099" z3="4.51757453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10621694" y3="-2.76812241" z3="4.76935594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43714715" y3="-2.56784605" z3="2.68474496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56387539" y3="-3.66529032" z3="2.60595721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59525711" y3="-2.35495525" z3="2.34062423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42772732" y3="-1.8887275" z3="1.73785941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46807265" y3="-2.06472723" z3="2.06669282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27334143" y3="-0.79609305" z3="1.70502608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32854473" y3="-2.27196885" z3="0.70552863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94850996" y3="-2.63846346" z3="7.67036729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54820567" y3="-0.55497769" z3="6.69219733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41965647" y3="0.06631633" z3="6.46136151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06214921" y3="-1.84193223" z3="7.90890961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4491173" y3="0.3025714" z3="11.88071486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02615795" y3="0.62275941" z3="12.82715307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.76206716" y3="-0.75127755" z3="11.99143185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3630634" y3="0.89525761" z3="11.71860471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50903865" y3="0.45279882" z3="10.70074866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.84206287" y3="1.50736387" z3="10.62602783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42183483" y3="-0.14155094" z3="10.89653639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.07759341" y3="-0.00555967" z3="9.35465187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.48021955" y3="-1.02941377" z3="9.45373031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.72275717" y3="-0.07038066" z3="8.59959293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15620917" y3="0.92343328" z3="8.8313631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19638989" y3="1.15434681" z3="9.42348694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84160526" y3="1.5831828" z3="7.98559098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5515,-1.6151,10.8369;-3.2114,-.6856,10.3482;-3.2575,-1.5703,11.9019;-4.6574,-1.6429,10.7936;-2.947,-2.8355,10.1498;-3.2513,-3.7646,10.6733;-1.8451,-2.7914,10.1948;-3.3483,-2.9737,8.6801;-4.4454,-3.1115,8.6132;-2.8508,-3.8627,8.2539;-1.7611,-1.7397,7.4014;-.2692,-.3398,5.9397;.5155,-.9611,6.412;.0708,.7169,6.0292;-.298,-.6797,4.4358;.6751,-.4023,3.9751;-1.0665,-.0517,3.9435;-.5774,-2.156,4.154;-1.5918,-2.4009,4.5176;.1062,-2.7681,4.7694;-.4371,-2.5678,2.6847;-.5639,-3.6653,2.606;.5953,-2.355,2.3406;-1.4277,-1.8887,1.7379;-2.4681,-2.0647,2.0667;-1.2733,-.7961,1.705;-1.3285,-2.272,.7055;-.9485,-2.6385,7.6704;-1.5482,-.555,6.6922;-2.4197,.0663,6.4614;-3.0621,-1.8419,7.9089;-.4491,.3026,11.8807;.0262,.6228,12.8272;-.7621,-.7513,11.9914;-1.3631,.8953,11.7186;.509,.4528,10.7007;.8421,1.5074,10.626;1.4218,-.1416,10.8965;-.0776,-.0056,9.3547;-.4802,-1.0294,9.4537;.7228,-.0704,8.5996;-1.1562,.9234,8.8314;-2.1964,1.1543,9.4235;-.8416,1.5832,7.9856;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604765110370</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">0.001000813430 0.000200702085 0.028218918964 0.008704190168</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="126">-0.000308623 -0.000222201 0.000115054 0.000317208 0.000359440 0.000649368 0.001146395 0.001676220 0.001732141 0.002322136 0.002813896 0.003217875 0.003669761 0.004211662 0.005055370 0.005725499 0.006464707 0.007428697 0.008746187 0.009396318 0.011539078 0.012586858 0.013332761 0.018718020 0.020890121 0.021889058 0.024939462 0.026965436 0.030841657 0.032204248 0.033316410 0.034274986 0.034535011 0.036347418 0.040453612 0.044757340 0.046493833 0.047101210 0.048089636 0.051486141 0.052146826 0.053390748 0.054949665 0.058066511 0.059407596 0.059958279 0.067281218 0.068745975 0.071120087 0.072511852 0.074438837 0.077274385 0.077529407 0.079553714 0.081991060 0.082954189 0.090334193 0.097558144 0.098830484 0.100186420 0.106267709 0.109212529 0.113321724 0.114739028 0.115397898 0.129665227 0.135040366 0.136684101 0.138027737 0.140273566 0.147024914 0.156246052 0.162688629 0.168863094 0.172022541 0.177287259 0.178839244 0.188440992 0.196146824 0.203255901 0.210042563 0.219124914 0.233994411 0.250563539 0.252151499 0.292064138 0.309658043 0.342051901 0.384227908 0.415853555 0.430559123 0.474861430 0.506917429 0.543900048 0.587566619 0.611923163 0.625103491 0.661206708 0.735712602 0.737243221 0.750674418 0.755174616 0.770807479 0.778170410 0.781511105 0.785228406 0.788468474 0.797477905 0.805514075 0.814428258 0.821295442 0.833311452 0.846939126 0.847366644 0.850005275 0.864673443 0.892033071 0.900570705 0.901768799 0.904358225 0.915604557 0.918584680 0.933677234 0.972124313 1.447510260 1.544913401</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="-3.55418355" y3="-1.61798845" z3="10.83023797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21201824" y3="-0.68876713" z3="10.34204303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26191661" y3="-1.57398251" z3="11.89583739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66011145" y3="-1.64553394" z3="10.78498389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.94881554" y3="-2.83834838" z3="10.1438122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25380287" y3="-3.76806738" z3="10.66596886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.84698652" y3="-2.79399986" z3="10.19086391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34783317" y3="-2.97557362" z3="8.67354955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44492866" y3="-3.11148041" z3="8.6040438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85059208" y3="-3.86449282" z3="8.24682415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75719476" y3="-1.73956384" z3="7.40268364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26098992" y3="-0.33631583" z3="5.94892057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52406844" y3="-0.95960636" z3="6.4177819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08233033" y3="0.71939256" z3="6.0361497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29874173" y3="-0.67790402" z3="4.44567335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67328925" y3="-0.4060131" z3="3.98046919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06592265" y3="-0.04668431" z3="3.95621226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58624337" y3="-2.15281931" z3="4.16628052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60256859" y3="-2.39122001" z3="4.52820182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09206555" y3="-2.76774362" z3="4.78394397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.44546088" y3="-2.56780419" z3="2.69792533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57837869" y3="-3.6640232" z3="2.62056961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58836447" y3="-2.3614834" z3="2.35518657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43035038" y3="-1.88471894" z3="1.74874603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47194644" y3="-2.05602931" z3="2.07582363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27101392" y3="-0.79303018" z3="1.71576791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33094926" y3="-2.2686455" z3="0.71683144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94771085" y3="-2.64271768" z3="7.66264245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53692795" y3="-0.54478584" z3="6.70926823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40865969" y3="0.07393584" z3="6.47351219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05858857" y3="-1.84281889" z3="7.90390033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45174807" y3="0.30447028" z3="11.87042556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01611656" y3="0.63324038" z3="12.81841543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.75246071" y3="-0.75383873" z3="11.98325118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3719764" y3="0.88575134" z3="11.70255064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50856212" y3="0.46165386" z3="10.69190765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.82782845" y3="1.52045163" z3="10.61265969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.42868419" y3="-0.12004848" z3="10.8935428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.06800617" y3="-0.01133982" z3="9.34664759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45936278" y3="-1.03876635" z3="9.45166395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.73682603" y3="-0.07115777" z3="8.59550634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1554471" y3="0.90320297" z3="8.81391405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19985813" y3="1.12612789" z3="9.40524251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83480148" y3="1.57847376" z3="7.9819901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5542,-1.618,10.8302;-3.212,-.6888,10.342;-3.2619,-1.574,11.8958;-4.6601,-1.6455,10.785;-2.9488,-2.8383,10.1438;-3.2538,-3.7681,10.666;-1.847,-2.794,10.1909;-3.3478,-2.9756,8.6735;-4.4449,-3.1115,8.604;-2.8506,-3.8645,8.2468;-1.7572,-1.7396,7.4027;-.261,-.3363,5.9489;.5241,-.9596,6.4178;.0823,.7194,6.0361;-.2987,-.6779,4.4457;.6733,-.406,3.9805;-1.0659,-.0467,3.9562;-.5862,-2.1528,4.1663;-1.6026,-2.3912,4.5282;.0921,-2.7677,4.7839;-.4455,-2.5678,2.6979;-.5784,-3.664,2.6206;.5884,-2.3615,2.3552;-1.4304,-1.8847,1.7487;-2.4719,-2.056,2.0758;-1.271,-.793,1.7158;-1.3309,-2.2686,.7168;-.9477,-2.6427,7.6626;-1.5369,-.5448,6.7093;-2.4087,.0739,6.4735;-3.0586,-1.8428,7.9039;-.4517,.3045,11.8704;.0161,.6332,12.8184;-.7525,-.7538,11.9833;-1.372,.8858,11.7026;.5086,.4617,10.6919;.8278,1.5205,10.6127;1.4287,-.12,10.8935;-.068,-.0113,9.3466;-.4594,-1.0388,9.4517;.7368,-.0712,8.5955;-1.1554,.9032,8.8139;-2.1999,1.1261,9.4052;-.8348,1.5785,7.982;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604871937069</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">0.001288279501 0.000281916662 0.028448228536 0.008704693996</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="126">-0.001288255 -0.000001389 0.000206250 0.000290936 0.000367631 0.000632455 0.001065226 0.001672840 0.001739477 0.002319137 0.002810027 0.003199996 0.003635368 0.004219885 0.005055845 0.005765521 0.006531335 0.007433371 0.008788337 0.009427473 0.011539066 0.012585499 0.013342880 0.018718349 0.020897625 0.021967418 0.024944864 0.026967483 0.030862633 0.032204873 0.033348521 0.034276285 0.034546326 0.036355652 0.040454134 0.044792733 0.046498834 0.047101575 0.048105623 0.051520869 0.052148042 0.053421943 0.054947397 0.058067424 0.059416193 0.060090822 0.067284002 0.068833303 0.071186178 0.072516038 0.074493524 0.077310908 0.077529372 0.079559466 0.082004868 0.082962229 0.090340299 0.097558435 0.098834375 0.100187344 0.106269704 0.109224793 0.113322367 0.114877289 0.115408472 0.129668542 0.135042637 0.136686299 0.138047584 0.140353370 0.147034904 0.156246545 0.162687981 0.168863813 0.172060880 0.177331080 0.178850538 0.188470414 0.196248113 0.203309514 0.210132737 0.219140106 0.234020469 0.251490903 0.252175878 0.292065461 0.309658217 0.342064903 0.384353027 0.415867752 0.430561868 0.474880381 0.506985695 0.543976502 0.587724641 0.611942197 0.625181821 0.661212682 0.735749412 0.737249758 0.750675481 0.755176654 0.770839972 0.778228925 0.781749724 0.785246433 0.788498759 0.797477989 0.805514685 0.814441543 0.821306486 0.833441130 0.847004185 0.847369379 0.850006071 0.864680677 0.892036186 0.900603819 0.902029543 0.904360388 0.915801692 0.918586260 0.933679741 0.972144372 1.447830934 1.544949755</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="-3.55638495" y3="-1.62154434" z3="10.82342119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.21279132" y3="-0.69242283" z3="10.33556062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.26539755" y3="-1.57853588" z3="11.88942517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.66230492" y3="-1.64913973" z3="10.77680513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95013138" y3="-2.84155549" z3="10.13707414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25580224" y3="-3.77195855" z3="10.65759966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8483312" y3="-2.79707625" z3="10.18590982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34685345" y3="-2.9771832" z3="8.66620021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44393242" y3="-3.11073257" z3="8.59419307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85042493" y3="-3.86614013" z3="8.23878691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7521617" y3="-1.73952438" z3="7.40313897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.25202627" y3="-0.33230708" z3="5.9574009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53328739" y3="-0.95815261" z3="6.42205413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09500936" y3="0.72205831" z3="6.04295164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29962927" y3="-0.67498618" z3="4.45500864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67175335" y3="-0.40815947" z3="3.98500601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06648618" y3="-0.04069639" z3="3.96821163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59530986" y3="-2.14948388" z3="4.17861134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61406014" y3="-2.38225389" z3="4.53863472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07841121" y3="-2.76686752" z3="4.79949913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45444829" y3="-2.56782311" z3="2.71145693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59303433" y3="-3.66348937" z3="2.63601582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58100201" y3="-2.36763012" z3="2.37028355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43405075" y3="-1.88107922" z3="1.75923223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47741396" y3="-2.04747437" z3="2.08368203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26991796" y3="-0.78988531" z3="1.72570852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33361258" y3="-2.26665113" z3="0.72782836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94588888" y3="-2.64733825" z3="7.65416341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52473174" y3="-0.53525779" z3="6.72498877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39668275" y3="0.08247969" z3="6.48634886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05416479" y3="-1.84369534" z3="7.89833526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45461541" y3="0.30780043" z3="11.8596818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00619342" y3="0.64793789" z3="12.80634641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.74372196" y3="-0.7517587" z3="11.9792002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38101339" y3="0.87774135" z3="11.68484151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50784694" y3="0.46886723" z3="10.68446118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.81400558" y3="1.53078469" z3="10.59898921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.43459248" y3="-0.09928985" z3="10.89347461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.05947501" y3="-0.01886888" z3="9.34076466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.44129245" y3="-1.04922737" z3="9.45175609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.74923383" y3="-0.07498899" z3="8.59362828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1540231" y3="0.88356141" z3="8.7984198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2034012" y3="1.09767966" z3="9.38581632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82618102" y3="1.57365482" z3="7.98145603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5564,-1.6215,10.8234;-3.2128,-.6924,10.3356;-3.2654,-1.5785,11.8894;-4.6623,-1.6491,10.7768;-2.9501,-2.8416,10.1371;-3.2558,-3.772,10.6576;-1.8483,-2.7971,10.1859;-3.3469,-2.9772,8.6662;-4.4439,-3.1107,8.5942;-2.8504,-3.8661,8.2388;-1.7522,-1.7395,7.4031;-.252,-.3323,5.9574;.5333,-.9582,6.4221;.095,.7221,6.043;-.2996,-.675,4.455;.6718,-.4082,3.985;-1.0665,-.0407,3.9682;-.5953,-2.1495,4.1786;-1.6141,-2.3823,4.5386;.0784,-2.7669,4.7995;-.4544,-2.5678,2.7115;-.593,-3.6635,2.636;.581,-2.3676,2.3703;-1.4341,-1.8811,1.7592;-2.4774,-2.0475,2.0837;-1.2699,-.7899,1.7257;-1.3336,-2.2667,.7278;-.9459,-2.6473,7.6542;-1.5247,-.5353,6.725;-2.3967,.0825,6.4863;-3.0542,-1.8437,7.8983;-.4546,.3078,11.8597;.0062,.6479,12.8063;-.7437,-.7518,11.9792;-1.381,.8777,11.6848;.5078,.4689,10.6845;.814,1.5308,10.599;1.4346,-.0993,10.8935;-.0595,-.0189,9.3408;-.4413,-1.0492,9.4518;.7492,-.075,8.5936;-1.154,.8836,8.7984;-2.2034,1.0977,9.3858;-.8262,1.5737,7.9815;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604981427288</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">0.001159536119 0.000189408022 0.026028722889 0.008703635531</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="126">-0.001405539 -0.000084385 0.000173372 0.000245855 0.000361502 0.000625032 0.001064486 0.001668413 0.001739998 0.002323750 0.002807920 0.003198623 0.003635255 0.004219454 0.005058058 0.005766341 0.006529638 0.007433296 0.008787556 0.009436133 0.011540054 0.012585441 0.013343286 0.018720279 0.020898792 0.021968993 0.024945997 0.026968880 0.030861624 0.032205592 0.033348133 0.034276373 0.034545948 0.036358277 0.040454355 0.044791252 0.046499398 0.047101956 0.048111953 0.051524444 0.052148096 0.053429114 0.054947217 0.058071050 0.059416980 0.060094118 0.067284692 0.068841313 0.071193671 0.072519066 0.074495508 0.077319582 0.077530660 0.079560949 0.082008501 0.082964400 0.090348672 0.097558949 0.098835162 0.100188316 0.106270464 0.109227677 0.113322521 0.114880576 0.115408108 0.129668726 0.135043475 0.136687881 0.138049763 0.140363131 0.147034950 0.156248385 0.162686703 0.168864096 0.172061619 0.177335313 0.178850653 0.188470091 0.196244751 0.203310170 0.210139107 0.219144994 0.234028492 0.251483983 0.252178430 0.292067143 0.309658358 0.342064484 0.384353110 0.415867891 0.430562377 0.474878518 0.506987241 0.543977547 0.587723272 0.611939442 0.625184884 0.661212986 0.735744213 0.737250291 0.750675557 0.755176888 0.770840156 0.778229232 0.781751016 0.785244209 0.788502276 0.797478001 0.805514341 0.814442011 0.821306482 0.833444500 0.847003318 0.847369189 0.850006046 0.864684515 0.892035971 0.900602697 0.902032666 0.904360414 0.915800659 0.918587586 0.933679836 0.972148485 1.447793615 1.544949447</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="-3.56606024" y3="-1.62120821" z3="10.81719089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.2217892" y3="-0.69224646" z3="10.32924136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.27909962" y3="-1.57664505" z3="11.88422042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.67178327" y3="-1.6518301" z3="10.76640783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95380004" y3="-2.84028686" z3="10.13441649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25793797" y3="-3.77137364" z3="10.65471614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85221737" y3="-2.79179604" z3="10.186968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34541083" y3="-2.97896172" z3="8.66261235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44202417" y3="-3.11292618" z3="8.58646319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84683821" y3="-3.86776423" z3="8.23753881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74782549" y3="-1.73977759" z3="7.40649146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24487326" y3="-0.32931297" z3="5.96650232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54111823" y3="-0.95685133" z3="6.42754637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10463924" y3="0.72418489" z3="6.05035536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30081329" y3="-0.67264177" z3="4.46466948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66911406" y3="-0.40772278" z3="3.9903454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06849807" y3="-0.03684226" z3="3.98095759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60024507" y3="-2.14707951" z3="4.18978764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61972247" y3="-2.37748501" z3="4.5497702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07202027" y3="-2.76580224" z3="4.81090533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46117008" y3="-2.56709451" z3="2.7231481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60559771" y3="-3.66110017" z3="2.64907947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5744376" y3="-2.37278258" z3="2.3815234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43741113" y3="-1.87715276" z3="1.77049326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48167088" y3="-2.04065855" z3="2.0946389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26992589" y3="-0.7864312" z3="1.7370401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33758837" y3="-2.26322621" z3="0.73927814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94328931" y3="-2.64962059" z3="7.65167824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51436156" y3="-0.5266834" z3="6.74204155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38731347" y3="0.08627659" z3="6.4964397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05040411" y3="-1.84578265" z3="7.89411497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45577744" y3="0.30215563" z3="11.84714702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00287312" y3="0.64718647" z3="12.795968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.73124993" y3="-0.76148058" z3="11.96456671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3887208" y3="0.86006885" z3="11.66866134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50829323" y3="0.47618974" z3="10.67494299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.7985506" y3="1.54226378" z3="10.58863296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.44290613" y3="-0.0773229" z3="10.88834756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.04720691" y3="-0.02195701" z3="9.33057351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4156721" y3="-1.0572653" z3="9.44256512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.76611261" y3="-0.06784974" z3="8.58750881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15190975" y3="0.86460356" z3="8.78008019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20365531" y3="1.07165094" z3="9.36986665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82081734" y3="1.56976896" z3="7.9769295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5661,-1.6212,10.8172;-3.2218,-.6922,10.3292;-3.2791,-1.5766,11.8842;-4.6718,-1.6518,10.7664;-2.9538,-2.8403,10.1344;-3.2579,-3.7714,10.6547;-1.8522,-2.7918,10.187;-3.3454,-2.979,8.6626;-4.442,-3.1129,8.5865;-2.8468,-3.8678,8.2375;-1.7478,-1.7398,7.4065;-.2449,-.3293,5.9665;.5411,-.9569,6.4275;.1046,.7242,6.0504;-.3008,-.6726,4.4647;.6691,-.4077,3.9903;-1.0685,-.0368,3.981;-.6002,-2.1471,4.1898;-1.6197,-2.3775,4.5498;.072,-2.7658,4.8109;-.4612,-2.5671,2.7231;-.6056,-3.6611,2.6491;.5744,-2.3728,2.3815;-1.4374,-1.8772,1.7705;-2.4817,-2.0407,2.0946;-1.2699,-.7864,1.737;-1.3376,-2.2632,.7393;-.9433,-2.6496,7.6517;-1.5144,-.5267,6.742;-2.3873,.0863,6.4964;-3.0504,-1.8458,7.8941;-.4558,.3022,11.8471;-.0029,.6472,12.796;-.7312,-.7615,11.9646;-1.3887,.8601,11.6687;.5083,.4762,10.6749;.7986,1.5423,10.5886;1.4429,-.0773,10.8883;-.0472,-.022,9.3306;-.4157,-1.0573,9.4426;.7661,-.0678,8.5875;-1.1519,.8646,8.7801;-2.2037,1.0717,9.3699;-.8208,1.5698,7.9769;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605087666305</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">0.000903274063 0.000200301736 0.029793409884 0.008703623431</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="126">-0.001445612 -0.000119795 0.000182483 0.000249158 0.000357043 0.000624844 0.001066853 0.001678020 0.001741955 0.002325128 0.002817653 0.003212940 0.003635409 0.004219495 0.005063728 0.005774143 0.006537720 0.007434897 0.008787388 0.009434347 0.011543012 0.012588026 0.013343393 0.018727968 0.020899272 0.021969979 0.024946607 0.026968842 0.030862944 0.032205954 0.033365722 0.034277434 0.034549005 0.036357986 0.040454604 0.044792092 0.046500106 0.047112215 0.048111334 0.051523753 0.052148312 0.053430563 0.054947366 0.058072970 0.059416809 0.060093071 0.067284356 0.068841800 0.071195432 0.072518841 0.074501551 0.077318360 0.077532006 0.079559873 0.082007339 0.082965174 0.090346867 0.097558887 0.098835178 0.100187919 0.106270697 0.109228432 0.113323207 0.114880086 0.115408092 0.129669187 0.135044010 0.136687080 0.138049921 0.140362291 0.147035200 0.156249646 0.162687437 0.168863811 0.172065060 0.177333951 0.178851732 0.188474087 0.196253321 0.203310825 0.210141459 0.219145896 0.234022285 0.251493760 0.252180430 0.292071007 0.309658656 0.342072111 0.384353987 0.415868032 0.430562838 0.474888961 0.506988015 0.543987096 0.587743654 0.611950899 0.625190577 0.661214630 0.735744141 0.737251604 0.750676034 0.755177674 0.770841857 0.778230634 0.781751607 0.785251158 0.788507461 0.797478021 0.805515917 0.814442361 0.821306535 0.833446722 0.847001763 0.847369289 0.850007358 0.864688030 0.892037185 0.900605992 0.902033529 0.904361751 0.915801199 0.918589394 0.933680984 0.972161885 1.447792310 1.544951897</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="-3.58312458" y3="-1.61584775" z3="10.81290471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.23935197" y3="-0.68757502" z3="10.32336416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.30193691" y3="-1.56632627" z3="11.88128805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.68846899" y3="-1.6520998" z3="10.7560024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96083204" y3="-2.83395407" z3="10.13743687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26211744" y3="-3.76518828" z3="10.6590671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.85979115" y3="-2.77870059" z3="10.19539785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34446152" y3="-2.97964645" z3="8.66431195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44018922" y3="-3.11707644" z3="8.58268553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84097157" y3="-3.86818943" z3="8.24454863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74527992" y3="-1.73950989" z3="7.41228061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24175405" y3="-0.32860263" z3="5.97267653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54414866" y3="-0.95729225" z3="6.43160415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10930234" y3="0.7241161" z3="6.05627054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30221002" y3="-0.67119565" z3="4.47117042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66587948" y3="-0.40473115" z3="3.99442945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07205799" y3="-0.03636518" z3="3.98966972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59948006" y3="-2.14589898" z3="4.19595379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61767169" y3="-2.37956103" z3="4.55777914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07624266" y3="-2.76338177" z3="4.81477265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46215115" y3="-2.56476289" z3="2.72880424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60230199" y3="-3.6602171" z3="2.65448304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57287992" y3="-2.3662819" z3="2.3858882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44220244" y3="-1.87718096" z3="1.77787477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48546207" y3="-2.04216333" z3="2.10348619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27671305" y3="-0.78615054" z3="1.74417597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34314639" y3="-2.26310186" z3="0.74643414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94002336" y3="-2.64754859" z3="7.65917659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50937268" y3="-0.52340969" z3="6.75202793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38414012" y3="0.08528005" z3="6.50046994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04884678" y3="-1.84788866" z3="7.89330944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45303755" y3="0.28460828" z3="11.83592885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00658289" y3="0.62846253" z3="12.7874511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.71489445" y3="-0.78244007" z3="11.9459426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39279436" y3="0.83172524" z3="11.65941028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51166144" y3="0.48017075" z3="10.6674511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.78597129" y3="1.55122801" z3="10.58836401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.45400285" y3="-0.06030749" z3="10.87997348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.03303269" y3="-0.01819395" z3="9.31920174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.38587869" y3="-1.05949385" z3="9.42542179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.78357461" y3="-0.04835434" z3="8.5786606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14923961" y3="0.85592423" z3="8.76878067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19981467" y3="1.05666002" z3="9.36416724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82269101" y3="1.56984994" z3="7.97187471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5831,-1.6158,10.8129;-3.2394,-.6876,10.3234;-3.3019,-1.5663,11.8813;-4.6885,-1.6521,10.756;-2.9608,-2.834,10.1374;-3.2621,-3.7652,10.6591;-1.8598,-2.7787,10.1954;-3.3445,-2.9796,8.6643;-4.4402,-3.1171,8.5827;-2.841,-3.8682,8.2445;-1.7453,-1.7395,7.4123;-.2418,-.3286,5.9727;.5441,-.9573,6.4316;.1093,.7241,6.0563;-.3022,-.6712,4.4712;.6659,-.4047,3.9944;-1.0721,-.0364,3.9897;-.5995,-2.1459,4.196;-1.6177,-2.3796,4.5578;.0762,-2.7634,4.8148;-.4622,-2.5648,2.7288;-.6023,-3.6602,2.6545;.5729,-2.3663,2.3859;-1.4422,-1.8772,1.7779;-2.4855,-2.0422,2.1035;-1.2767,-.7862,1.7442;-1.3431,-2.2631,.7464;-.94,-2.6475,7.6592;-1.5094,-.5234,6.752;-2.3841,.0853,6.5005;-3.0488,-1.8479,7.8933;-.453,.2846,11.8359;-.0066,.6285,12.7875;-.7149,-.7824,11.9459;-1.3928,.8317,11.6594;.5117,.4802,10.6675;.786,1.5512,10.5884;1.454,-.0603,10.88;-.033,-.0182,9.3192;-.3859,-1.0595,9.4254;.7836,-.0484,8.5787;-1.1492,.8559,8.7688;-2.1998,1.0567,9.3642;-.8227,1.5698,7.9719;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605147096884</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">0.001143574027 0.000260307598 0.033043452323 0.008704078411</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="126">-0.001222594 -0.000042407 0.000164079 0.000247736 0.000355785 0.000631896 0.001070722 0.001677335 0.001742060 0.002328436 0.002819382 0.003228724 0.003637286 0.004219760 0.005068458 0.005783643 0.006538024 0.007437703 0.008799295 0.009441077 0.011543364 0.012588269 0.013345105 0.018738874 0.020906036 0.021970102 0.024949514 0.026970618 0.030863600 0.032205974 0.033374474 0.034281855 0.034549419 0.036357383 0.040454830 0.044792043 0.046499521 0.047118008 0.048115292 0.051524220 0.052150328 0.053429364 0.054947852 0.058076432 0.059417069 0.060087707 0.067284060 0.068841424 0.071219807 0.072519921 0.074502178 0.077317700 0.077535162 0.079562163 0.082009810 0.082971150 0.090351825 0.097558879 0.098834859 0.100187713 0.106271035 0.109228239 0.113324575 0.114894381 0.115411370 0.129668988 0.135048009 0.136692148 0.138050579 0.140370997 0.147038393 0.156262799 0.162690827 0.168863000 0.172064431 0.177349864 0.178853270 0.188473602 0.196251899 0.203308576 0.210144818 0.219137774 0.234013399 0.251517905 0.252182921 0.292074706 0.309659052 0.342074141 0.384356566 0.415871354 0.430568321 0.474891029 0.507011949 0.543986717 0.587743770 0.611951324 0.625192869 0.661216623 0.735761798 0.737283499 0.750677216 0.755177599 0.770843106 0.778237339 0.781820239 0.785275880 0.788511975 0.797478153 0.805517480 0.814444010 0.821307430 0.833511742 0.847002013 0.847369876 0.850007675 0.864693609 0.892038750 0.900605806 0.902058297 0.904363324 0.915815970 0.918589676 0.933682116 0.972165861 1.447869913 1.544961994</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="-3.5938085" y3="-1.60794806" z3="10.8155201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.25174803" y3="-0.6799293" z3="10.3245653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31571601" y3="-1.55428612" z3="11.88448765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.69883786" y3="-1.64814576" z3="10.75576571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96532311" y3="-2.82559162" z3="10.14505409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2635459" y3="-3.75626701" z3="10.66953915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86462024" y3="-2.76528023" z3="10.20439765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34610512" y3="-2.97781007" z3="8.67176705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44127991" y3="-3.11986072" z3="8.58930604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83880781" y3="-3.86624852" z3="8.25638542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74963928" y3="-1.73847972" z3="7.41450151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24940949" y3="-0.32918814" z3="5.96898209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53737306" y3="-0.95442825" z3="6.43179243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09709271" y3="0.72540579" z3="6.05339126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30241187" y3="-0.67214711" z3="4.46711577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66511254" y3="-0.39789991" z3="3.99303355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0762293" y3="-0.0429459" z3="3.98387072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58844128" y3="-2.14919758" z3="4.19114848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60353585" y3="-2.39076292" z3="4.55645085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09425848" y3="-2.76206079" z3="4.80725779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45364188" y3="-2.56524452" z3="2.72301392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59236586" y3="-3.65880895" z3="2.6478725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57821888" y3="-2.3647068" z3="2.37640195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4386111" y3="-1.88079768" z3="1.77602146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48096123" y3="-2.05471651" z3="2.10322809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28116361" y3="-0.78810769" z3="1.74496435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33843765" y3="-2.26378877" z3="0.74341876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94049456" y3="-2.64116476" z3="7.67107914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51964263" y3="-0.52958027" z3="6.74220803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39492348" y3="0.07819211" z3="6.49079813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0536118" y3="-1.84808138" z3="7.89701706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44553324" y3="0.26528488" z3="11.83636859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00328346" y3="0.59541908" z3="12.79239551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.70760838" y3="-0.80375254" z3="11.93166959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38492919" y3="0.81545315" z3="11.66932298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51622221" y3="0.47542108" z3="10.6683187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.79016332" y3="1.54656615" z3="10.60124358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.45859105" y3="-0.06745613" z3="10.87234979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.02982916" y3="-0.00651067" z3="9.31459729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.37751118" y3="-1.05183795" z3="9.40590137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.78494108" y3="-0.02308357" z3="8.57094086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15045907" y3="0.86948293" z3="8.77787756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19587767" y3="1.068005" z3="9.3817261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83855732" y3="1.57627305" z3="7.96930493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.5938,-1.6079,10.8155;-3.2517,-.6799,10.3246;-3.3157,-1.5543,11.8845;-4.6988,-1.6481,10.7558;-2.9653,-2.8256,10.1451;-3.2635,-3.7563,10.6695;-1.8646,-2.7653,10.2044;-3.3461,-2.9778,8.6718;-4.4413,-3.1199,8.5893;-2.8388,-3.8662,8.2564;-1.7496,-1.7385,7.4145;-.2494,-.3292,5.969;.5374,-.9544,6.4318;.0971,.7254,6.0534;-.3024,-.6721,4.4671;.6651,-.3979,3.993;-1.0762,-.0429,3.9839;-.5884,-2.1492,4.1911;-1.6035,-2.3908,4.5565;.0943,-2.7621,4.8073;-.4536,-2.5652,2.723;-.5924,-3.6588,2.6479;.5782,-2.3647,2.3764;-1.4386,-1.8808,1.776;-2.481,-2.0547,2.1032;-1.2812,-.7881,1.745;-1.3384,-2.2638,.7434;-.9405,-2.6412,7.6711;-1.5196,-.5296,6.7422;-2.3949,.0782,6.4908;-3.0536,-1.8481,7.897;-.4455,.2653,11.8364;.0033,.5954,12.7924;-.7076,-.8038,11.9317;-1.3849,.8155,11.6693;.5162,.4754,10.6683;.7902,1.5466,10.6012;1.4586,-.0675,10.8723;-.0298,-.0065,9.3146;-.3775,-1.0518,9.4059;.7849,-.0231,8.5709;-1.1505,.8695,8.7779;-2.1959,1.068,9.3817;-.8386,1.5763,7.9693;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605078281671</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">0.002052195207 0.000422231245 0.035811536276 0.008703224442</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="126">-0.001104438 -0.000214191 0.000181027 0.000310126 0.000373426 0.000646626 0.001116936 0.001680040 0.001742441 0.002334337 0.002825038 0.003335205 0.003645912 0.004231953 0.005098831 0.005831164 0.006578335 0.007457057 0.008798132 0.009445283 0.011543470 0.012591033 0.013343995 0.018773556 0.020918291 0.021978403 0.024952703 0.026986350 0.030868950 0.032205331 0.033493843 0.034295422 0.034570350 0.036357152 0.040454584 0.044817722 0.046500896 0.047150813 0.048123073 0.051523402 0.052153740 0.053426303 0.054947973 0.058096989 0.059417920 0.060081280 0.067283795 0.068847076 0.071208226 0.072519341 0.074499922 0.077316271 0.077539015 0.079564818 0.082012397 0.082977633 0.090357844 0.097558270 0.098836072 0.100188074 0.106270908 0.109226956 0.113329296 0.114887954 0.115410462 0.129672361 0.135059295 0.136698869 0.138050532 0.140368325 0.147047621 0.156260109 0.162696966 0.168862173 0.172085149 0.177355158 0.178852646 0.188488803 0.196283101 0.203303345 0.210140966 0.219131883 0.233997113 0.251506625 0.252180450 0.292093252 0.309662582 0.342106645 0.384383686 0.415875411 0.430578639 0.474984661 0.507016603 0.544079020 0.587975773 0.612083248 0.625339799 0.661216640 0.735805347 0.737288083 0.750709901 0.755180421 0.770845288 0.778238577 0.781820665 0.785325074 0.788507230 0.797478342 0.805527730 0.814444210 0.821307674 0.833516333 0.847000625 0.847370033 0.850025510 0.864691282 0.892038674 0.900611045 0.902065274 0.904379866 0.915816119 0.918588264 0.933682178 0.972162888 1.447897605 1.544961457</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="-3.60209706" y3="-1.6021929" z3="10.81393832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.26333871" y3="-0.67337609" z3="10.32260647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.32626242" y3="-1.54543048" z3="11.88326226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.70675731" y3="-1.64787567" z3="10.75197076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9663151" y3="-2.81754616" z3="10.14642569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26023228" y3="-3.74879378" z3="10.67229734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86606742" y3="-2.75106027" z3="10.20677731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34417484" y3="-2.97427698" z3="8.6729071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43878022" y3="-3.12046471" z3="8.58884918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83296106" y3="-3.86190159" z3="8.26054923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74913829" y3="-1.7338271" z3="7.41495604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24979517" y3="-0.32807226" z3="5.9664008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53564949" y3="-0.95304306" z3="6.43065931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09712777" y3="0.72607954" z3="6.05023065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30144294" y3="-0.67264065" z3="4.46519067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66630111" y3="-0.40208503" z3="3.9909442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07235278" y3="-0.04261121" z3="3.98099285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59039591" y3="-2.14835407" z3="4.19236595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60566889" y3="-2.3862506" z3="4.55719616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08949506" y3="-2.76061088" z3="4.81078359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45283366" y3="-2.56861241" z3="2.72511926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57969603" y3="-3.66788292" z3="2.65180387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58073595" y3="-2.35755492" z3="2.37965712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44263796" y3="-1.89042455" z3="1.77670264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48153023" y3="-2.05893105" z3="2.10847514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28236511" y3="-0.80015225" z3="1.73902808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3474767" y3="-2.27716576" z3="0.7457834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93783896" y3="-2.63359278" z3="7.67758511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52140697" y3="-0.52913316" z3="6.7364559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39678813" y3="0.0790267" z3="6.48526798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05410934" y3="-1.84529815" z3="7.89647135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44304731" y3="0.23766487" z3="11.83677331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.0015102" y3="0.55960754" z3="12.79694108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.69316533" y3="-0.83633765" z3="11.91613149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38903435" y3="0.78022131" z3="11.67829238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51709048" y3="0.47691002" z3="10.67044892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.7777153" y3="1.55468252" z3="10.62113036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.46705174" y3="-0.05886276" z3="10.86502016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.02364779" y3="0.00688902" z3="9.31043035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.36429902" y3="-1.04047971" z3="9.38959594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.79130274" y3="0.00300881" z3="8.56819299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1487976" y3="0.88103093" z3="8.78242611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19172406" y3="1.07587402" z3="9.38958429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84616262" y3="1.58323364" z3="7.96575177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6021,-1.6022,10.8139;-3.2633,-.6734,10.3226;-3.3263,-1.5454,11.8833;-4.7068,-1.6479,10.752;-2.9663,-2.8175,10.1464;-3.2602,-3.7488,10.6723;-1.8661,-2.7511,10.2068;-3.3442,-2.9743,8.6729;-4.4388,-3.1205,8.5888;-2.833,-3.8619,8.2605;-1.7491,-1.7338,7.415;-.2498,-.3281,5.9664;.5356,-.953,6.4307;.0971,.7261,6.0502;-.3014,-.6726,4.4652;.6663,-.4021,3.9909;-1.0724,-.0426,3.981;-.5904,-2.1484,4.1924;-1.6057,-2.3863,4.5572;.0895,-2.7606,4.8108;-.4528,-2.5686,2.7251;-.5797,-3.6679,2.6518;.5807,-2.3576,2.3797;-1.4426,-1.8904,1.7767;-2.4815,-2.0589,2.1085;-1.2824,-.8002,1.739;-1.3475,-2.2772,.7458;-.9378,-2.6336,7.6776;-1.5214,-.5291,6.7365;-2.3968,.079,6.4853;-3.0541,-1.8453,7.8965;-.443,.2377,11.8368;.0015,.5596,12.7969;-.6932,-.8363,11.9161;-1.389,.7802,11.6783;.5171,.4769,10.6704;.7777,1.5547,10.6211;1.4671,-.0589,10.865;-.0236,.0069,9.3104;-.3643,-1.0405,9.3896;.7913,.003,8.5682;-1.1488,.881,8.7824;-2.1917,1.0759,9.3896;-.8462,1.5832,7.9658;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605068853572</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">0.002789566188 0.000633537756 0.026088197714 0.008704333296</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="126">-0.001835102 -0.000787263 0.000182279 0.000312409 0.000374143 0.000650948 0.001104887 0.001701964 0.001746071 0.002332198 0.002847557 0.003596708 0.003640643 0.004280204 0.005201341 0.005920163 0.006773062 0.007531359 0.008829805 0.009458858 0.011543377 0.012596453 0.013343294 0.018851527 0.020944491 0.022059182 0.024954289 0.027006375 0.030870410 0.032211921 0.033943172 0.034385291 0.034757289 0.036357150 0.040455303 0.044871171 0.046512508 0.047286263 0.048123818 0.051525250 0.052156132 0.053483357 0.054952010 0.058153448 0.059417540 0.060216835 0.067283779 0.068849048 0.071226249 0.072519255 0.074499315 0.077325684 0.077539539 0.079565425 0.082013224 0.082991073 0.090361714 0.097559419 0.098874151 0.100200048 0.106270901 0.109226770 0.113355671 0.114885053 0.115411039 0.129693606 0.135088895 0.136731508 0.138049844 0.140367323 0.147073191 0.156258007 0.162706996 0.168861954 0.172143408 0.177394903 0.178857690 0.188530942 0.196352961 0.203322595 0.210173211 0.219133010 0.234021729 0.251578092 0.252187169 0.292138076 0.309677767 0.342143794 0.384588517 0.415908174 0.430623902 0.475338470 0.507017536 0.544359171 0.588615511 0.612516045 0.625739922 0.661220670 0.735805450 0.737379074 0.750797869 0.755200027 0.770855252 0.778243000 0.781838491 0.785425205 0.788513469 0.797478305 0.805545741 0.814444266 0.821307762 0.833521591 0.847068222 0.847374514 0.850102369 0.864693301 0.892038472 0.900612936 0.902101498 0.904406224 0.915846552 0.918588473 0.933682126 0.972161759 1.447963095 1.544966994</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="-3.60358159" y3="-1.60588006" z3="10.80843541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.26392028" y3="-0.6771593" z3="10.31715756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.32815462" y3="-1.54981473" z3="11.87787943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.70814635" y3="-1.65207338" z3="10.74596829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96703037" y3="-2.82068318" z3="10.14082857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26171671" y3="-3.75267763" z3="10.66467568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86701836" y3="-2.75441457" z3="10.20360362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34238647" y3="-2.9757484" z3="8.66670325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43686062" y3="-3.11958974" z3="8.57994258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83166386" y3="-3.86316397" z3="8.25350838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74393442" y3="-1.73388605" z3="7.41641905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24092411" y3="-0.32395282" z3="5.97533561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54643916" y3="-0.95016128" z3="6.43619392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10827277" y3="0.73010501" z3="6.05619403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30255697" y3="-0.6705844" z3="4.47481616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66408944" y3="-0.40308005" z3="3.9955761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07464308" y3="-0.03839957" z3="3.99343605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59787407" y3="-2.14630815" z3="4.20382944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61520819" y3="-2.37905944" z3="4.56703694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07805696" y3="-2.76138419" z3="4.82398631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46133952" y3="-2.56864127" z3="2.73740053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60225165" y3="-3.66248409" z3="2.66541246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5720539" y3="-2.37126174" z3="2.3922193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44399439" y3="-1.88485365" z3="1.78715426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48664257" y3="-2.05347976" z3="2.11583593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.282433" y3="-0.7928494" z3="1.75036724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34679414" y3="-2.27329475" z3="0.75644911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93585866" y3="-2.63787595" z3="7.66918905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50870322" y3="-0.51850848" z3="6.75486201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38467772" y3="0.08606315" z3="6.49753645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04880386" y3="-1.84575651" z3="7.89201361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.448359" y3="0.24297019" z3="11.82525269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01131358" y3="0.5719587" z3="12.78832548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.689507" y3="-0.8338447" z3="11.90678099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39734998" y3="0.77471149" z3="11.65663301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51480265" y3="0.48369243" z3="10.66410252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.76519117" y3="1.56154335" z3="10.60713891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.46857649" y3="-0.04028177" z3="10.86865336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.01471406" y3="0.0001085" z3="9.30391467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.34416705" y3="-1.05219883" z3="9.3867546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.80547223" y3="0.0026445" z3="8.56527432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14728769" y3="0.86049259" z3="8.76428608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19394798" y3="1.04978582" z3="9.37231491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83755142" y3="1.5786634" z3="7.96297499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6036,-1.6059,10.8084;-3.2639,-.6772,10.3172;-3.3282,-1.5498,11.8779;-4.7081,-1.6521,10.746;-2.967,-2.8207,10.1408;-3.2617,-3.7527,10.6647;-1.867,-2.7544,10.2036;-3.3424,-2.9757,8.6667;-4.4369,-3.1196,8.5799;-2.8317,-3.8632,8.2535;-1.7439,-1.7339,7.4164;-.2409,-.324,5.9753;.5464,-.9502,6.4362;.1083,.7301,6.0562;-.3026,-.6706,4.4748;.6641,-.4031,3.9956;-1.0746,-.0384,3.9934;-.5979,-2.1463,4.2038;-1.6152,-2.3791,4.567;.0781,-2.7614,4.824;-.4613,-2.5686,2.7374;-.6023,-3.6625,2.6654;.5721,-2.3713,2.3922;-1.444,-1.8849,1.7872;-2.4866,-2.0535,2.1158;-1.2824,-.7928,1.7504;-1.3468,-2.2733,.7564;-.9359,-2.6379,7.6692;-1.5087,-.5185,6.7549;-2.3847,.0861,6.4975;-3.0488,-1.8458,7.892;-.4484,.243,11.8253;-.0113,.572,12.7883;-.6895,-.8338,11.9068;-1.3973,.7747,11.6566;.5148,.4837,10.6641;.7652,1.5615,10.6071;1.4686,-.0403,10.8687;-.0147,.0001,9.3039;-.3442,-1.0522,9.3868;.8055,.0026,8.5653;-1.1473,.8605,8.7643;-2.1939,1.0498,9.3723;-.8376,1.5787,7.963;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605176958544</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">0.001848544028 0.000483795057 0.035928053024 0.008703940841</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="126">-0.003520742 -0.000025429 0.000214032 0.000322755 0.000374463 0.000659594 0.001101742 0.001719786 0.001746026 0.002333745 0.002853110 0.003630788 0.003730634 0.004285529 0.005236165 0.005957659 0.006828004 0.007584165 0.008827227 0.009452879 0.011543519 0.012596900 0.013345393 0.018892260 0.020990327 0.022095330 0.024957368 0.027019239 0.030871099 0.032216434 0.034030852 0.034452341 0.035105560 0.036357642 0.040455512 0.044872690 0.046515530 0.047447379 0.048154769 0.051524867 0.052164706 0.053524349 0.054960375 0.058185804 0.059418010 0.060251946 0.067284132 0.068854801 0.071226078 0.072520684 0.074503135 0.077328119 0.077540604 0.079565842 0.082013006 0.082991615 0.090376795 0.097559812 0.098895199 0.100207191 0.106271181 0.109232631 0.113380458 0.114924299 0.115420670 0.129703302 0.135111360 0.136783636 0.138050819 0.140371200 0.147096774 0.156269312 0.162711583 0.168862333 0.172162405 0.177420747 0.178870271 0.188540286 0.196354870 0.203320500 0.210169929 0.219140735 0.234059788 0.251630928 0.252201642 0.292174623 0.309683148 0.342159526 0.384634860 0.415949846 0.430670788 0.475482056 0.507036885 0.544464014 0.588783744 0.612641878 0.625913990 0.661221860 0.735806082 0.737441306 0.750862406 0.755215588 0.770856078 0.778253245 0.782060035 0.785566203 0.788519250 0.797478680 0.805553178 0.814444766 0.821308156 0.833560336 0.847071143 0.847375502 0.850121738 0.864707335 0.892039410 0.900615430 0.902310318 0.904417395 0.915868372 0.918590191 0.933682409 0.972168579 1.448132919 1.544981546</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="-3.61298144" y3="-1.60197935" z3="10.80490004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.27683574" y3="-0.67260723" z3="10.31252943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.33925559" y3="-1.54249675" z3="11.87460286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.71724652" y3="-1.65456363" z3="10.74062303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96808889" y3="-2.81406002" z3="10.14026655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25892604" y3="-3.74726592" z3="10.66419894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86853815" y3="-2.74123118" z3="10.20561598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33883515" y3="-2.97249312" z3="8.6654033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43261657" y3="-3.11965131" z3="8.57555594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.824398" y3="-3.85896226" z3="8.25485309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74048788" y3="-1.72744002" z3="7.4189568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23846205" y3="-0.31872933" z3="5.975618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54913289" y3="-0.94357206" z3="6.4377152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11038182" y3="0.735531" z3="6.05387837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30126476" y3="-0.66969168" z3="4.47604983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.666049" y3="-0.40666297" z3="3.99612141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07166418" y3="-0.03713381" z3="3.99250674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60029756" y3="-2.14570995" z3="4.20984344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6182623" y3="-2.37580224" z3="4.57426977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07507712" y3="-2.76032705" z3="4.83170573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4658997" y3="-2.57291906" z3="2.7449122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60816835" y3="-3.66713287" z3="2.6771748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56744283" y3="-2.37810837" z3="2.39817994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44812741" y3="-1.89107466" z3="1.7929376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49116819" y3="-2.05917538" z3="2.12077523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28671566" y3="-0.79914292" z3="1.75502059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34910621" y3="-2.28126516" z3="0.76282743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93013448" y3="-2.62825263" z3="7.67700822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50589136" y3="-0.51212008" z3="6.75610699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38275235" y3="0.0899459" z3="6.49601744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04625702" y3="-1.8427135" z3="7.88969519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44939213" y3="0.21664653" z3="11.81840879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01969451" y3="0.54079391" z3="12.78563674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.67725003" y3="-0.86242956" z3="11.88835241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40470464" y3="0.73878344" z3="11.65309045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51451278" y3="0.48482958" z3="10.66372468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74976139" y3="1.56716951" z3="10.62106357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47447061" y3="-0.02772412" z3="10.8661854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.00373201" y3="0.0100616" z3="9.29610697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.31973054" y3="-1.04702674" z3="9.36692283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81916013" y3="0.03082826" z3="8.56064271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14496939" y3="0.86314329" z3="8.76121612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19036521" y3="1.04557596" z3="9.37338773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84213034" y3="1.58554327" z3="7.96176435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.613,-1.602,10.8049;-3.2768,-.6726,10.3125;-3.3393,-1.5425,11.8746;-4.7172,-1.6546,10.7406;-2.9681,-2.8141,10.1403;-3.2589,-3.7473,10.6642;-1.8685,-2.7412,10.2056;-3.3388,-2.9725,8.6654;-4.4326,-3.1197,8.5756;-2.8244,-3.859,8.2549;-1.7405,-1.7274,7.419;-.2385,-.3187,5.9756;.5491,-.9436,6.4377;.1104,.7355,6.0539;-.3013,-.6697,4.476;.666,-.4067,3.9961;-1.0717,-.0371,3.9925;-.6003,-2.1457,4.2098;-1.6183,-2.3758,4.5743;.0751,-2.7603,4.8317;-.4659,-2.5729,2.7449;-.6082,-3.6671,2.6772;.5674,-2.3781,2.3982;-1.4481,-1.8911,1.7929;-2.4912,-2.0592,2.1208;-1.2867,-.7991,1.755;-1.3491,-2.2813,.7628;-.9301,-2.6283,7.677;-1.5059,-.5121,6.7561;-2.3828,.0899,6.496;-3.0463,-1.8427,7.8897;-.4494,.2166,11.8184;-.0197,.5408,12.7856;-.6773,-.8624,11.8884;-1.4047,.7388,11.6531;.5145,.4848,10.6637;.7498,1.5672,10.6211;1.4745,-.0277,10.8662;-.0037,.0101,9.2961;-.3197,-1.047,9.3669;.8192,.0308,8.5606;-1.145,.8631,8.7612;-2.1904,1.0456,9.3734;-.8421,1.5855,7.9618;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605212364835</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">0.001370430526 0.000329088492 0.039608639161 0.008704236659</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="126">-0.002789849 -0.000011679 0.000193439 0.000316681 0.000375219 0.000658766 0.001109542 0.001720634 0.001747033 0.002338698 0.002853019 0.003636539 0.003729068 0.004287814 0.005237371 0.005957336 0.006831304 0.007583037 0.008845068 0.009461480 0.011543372 0.012596883 0.013351606 0.018890851 0.020988497 0.022094056 0.024956685 0.027017528 0.030870791 0.032217279 0.034033696 0.034446635 0.035054954 0.036357995 0.040455582 0.044885517 0.046515892 0.047429180 0.048171692 0.051525003 0.052163841 0.053517876 0.054958775 0.058182330 0.059417434 0.060243974 0.067283496 0.068854849 0.071242831 0.072521194 0.074503331 0.077329799 0.077540301 0.079565005 0.082011481 0.082991058 0.090375214 0.097560284 0.098895358 0.100206907 0.106271387 0.109232195 0.113377843 0.114927156 0.115420990 0.129703086 0.135108908 0.136781913 0.138050265 0.140369312 0.147093212 0.156300781 0.162712740 0.168861635 0.172170363 0.177421945 0.178870093 0.188539779 0.196355789 0.203310386 0.210170386 0.219141130 0.234060505 0.251601871 0.252197108 0.292175701 0.309685508 0.342159699 0.384638388 0.415952429 0.430671588 0.475493793 0.507038967 0.544479783 0.588848518 0.612706911 0.625931759 0.661228035 0.735808496 0.737440863 0.750871236 0.755217702 0.770857610 0.778256370 0.782053154 0.785564844 0.788534189 0.797478629 0.805558585 0.814445019 0.821308657 0.833586160 0.847071654 0.847376898 0.850129245 0.864708596 0.892039755 0.900615494 0.902311177 0.904425666 0.915872336 0.918592297 0.933682762 0.972176699 1.448136913 1.544985670</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="-3.61730795" y3="-1.59630875" z3="10.80570072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.28417587" y3="-0.66641942" z3="10.31264228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.34416276" y3="-1.53450423" z3="11.87537173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7212337" y3="-1.65275076" z3="10.74112626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9679712" y3="-2.80655816" z3="10.14252391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25540011" y3="-3.74005207" z3="10.66776566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86881655" y3="-2.72953101" z3="10.20732313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33788457" y3="-2.96791995" z3="8.66778311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43125366" y3="-3.11828642" z3="8.57786718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82092636" y3="-3.85377025" z3="8.25907131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74157377" y3="-1.72215109" z3="7.41918368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24144623" y3="-0.31619905" z3="5.97158473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54637849" y3="-0.93802979" z3="6.43702623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10435179" y3="0.73915379" z3="6.04875779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29939386" y3="-0.66979888" z3="4.47270499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66903802" y3="-0.40664684" z3="3.99435285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06933042" y3="-0.03872575" z3="3.98624802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59788119" y3="-2.14641" z3="4.21007358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61554647" y3="-2.37438438" z3="4.57539227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.077043" y3="-2.75943954" z3="4.83353119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4639483" y3="-2.57796626" z3="2.74622348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60498168" y3="-3.67276471" z3="2.68168192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56917443" y3="-2.38275038" z3="2.3981089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44829343" y3="-1.89998223" z3="1.79324744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49009937" y3="-2.06834786" z3="2.12320174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.288337" y3="-0.8080805" z3="1.75167905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.35101933" y3="-2.29239849" z3="0.76421425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92844444" y3="-2.61901285" z3="7.68467117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5109673" y3="-0.51326492" z3="6.74710916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38782028" y3="0.08954958" z3="6.48849946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04800297" y3="-1.83872976" z3="7.8906914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44910374" y3="0.19112463" z3="11.81718996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.02350981" y3="0.50118527" z3="12.79185471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.67076843" y3="-0.89228148" z3="11.86649564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40638248" y3="0.71001961" z3="11.65794183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51475396" y3="0.48237665" z3="10.66836632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74419052" y3="1.56541321" z3="10.64150807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47719169" y3="-0.02818469" z3="10.8639417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00182811" y3="0.02556507" z3="9.2925655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30579865" y3="-1.03666802" z3="9.34326341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82516572" y3="0.06542013" z3="8.5576819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14428003" y3="0.8779371" z3="8.76937143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18657955" y3="1.05485748" z3="9.38659568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85483608" y3="1.5951033" z3="7.96023811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6173,-1.5963,10.8057;-3.2842,-.6664,10.3126;-3.3442,-1.5345,11.8754;-4.7212,-1.6528,10.7411;-2.968,-2.8066,10.1425;-3.2554,-3.7401,10.6678;-1.8688,-2.7295,10.2073;-3.3379,-2.9679,8.6678;-4.4313,-3.1183,8.5779;-2.8209,-3.8538,8.2591;-1.7416,-1.7222,7.4192;-.2414,-.3162,5.9716;.5464,-.938,6.437;.1044,.7392,6.0488;-.2994,-.6698,4.4727;.669,-.4066,3.9944;-1.0693,-.0387,3.9862;-.5979,-2.1464,4.2101;-1.6155,-2.3744,4.5754;.077,-2.7594,4.8335;-.4639,-2.578,2.7462;-.605,-3.6728,2.6817;.5692,-2.3828,2.3981;-1.4483,-1.9,1.7932;-2.4901,-2.0683,2.1232;-1.2883,-.8081,1.7517;-1.351,-2.2924,.7642;-.9284,-2.619,7.6847;-1.511,-.5133,6.7471;-2.3878,.0895,6.4885;-3.048,-1.8387,7.8907;-.4491,.1911,11.8172;-.0235,.5012,12.7919;-.6708,-.8923,11.8665;-1.4064,.71,11.6579;.5148,.4824,10.6684;.7442,1.5654,10.6415;1.4772,-.0282,10.8639;.0018,.0256,9.2926;-.3058,-1.0367,9.3433;.8252,.0654,8.5577;-1.1443,.8779,8.7694;-2.1866,1.0549,9.3866;-.8548,1.5951,7.9602;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605185744841</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">0.002653750239 0.000531087271 0.027224440675 0.008705013903</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="126">-0.001699506 -0.000529931 0.000194139 0.000315929 0.000375120 0.000673193 0.001142000 0.001740579 0.001757790 0.002339189 0.002853164 0.003658531 0.003756571 0.004291758 0.005236540 0.005978037 0.006835955 0.007583134 0.008854819 0.009466681 0.011543081 0.012597211 0.013358247 0.018891110 0.020990925 0.022090151 0.024958174 0.027016475 0.030871826 0.032241988 0.034049148 0.034448355 0.035036908 0.036357736 0.040455749 0.044892346 0.046515800 0.047469254 0.048294817 0.051524820 0.052164678 0.053515457 0.054962794 0.058177351 0.059416643 0.060239829 0.067283316 0.068853527 0.071264188 0.072521578 0.074513442 0.077329728 0.077540474 0.079566998 0.082011333 0.082990628 0.090381069 0.097559995 0.098894294 0.100206465 0.106271563 0.109231997 0.113377416 0.114959542 0.115427620 0.129701895 0.135111230 0.136821463 0.138049714 0.140395618 0.147104116 0.156335207 0.162713120 0.168861180 0.172166226 0.177438592 0.178877498 0.188541126 0.196355629 0.203338293 0.210184795 0.219140193 0.234050614 0.251617985 0.252209926 0.292172930 0.309685390 0.342159661 0.384651982 0.415950963 0.430672483 0.475497425 0.507052254 0.544485655 0.588846087 0.612700680 0.626187241 0.661233145 0.735806579 0.737455241 0.750880636 0.755217508 0.770859691 0.778287981 0.782285162 0.785617013 0.788555102 0.797478689 0.805558257 0.814445391 0.821308746 0.833609444 0.847075728 0.847378577 0.850128944 0.864708354 0.892039952 0.900619985 0.902489718 0.904425332 0.915916913 0.918591220 0.933682682 0.972180519 1.448186580 1.544987288</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="-3.6205433" y3="-1.59424965" z3="10.80781963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.28996632" y3="-0.66350498" z3="10.31511933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.34756766" y3="-1.53114747" z3="11.87750514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.72446336" y3="-1.65275042" z3="10.74306421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96872484" y3="-2.80346791" z3="10.14489139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25476998" y3="-3.7369825" z3="10.67081703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86966478" y3="-2.72447143" z3="10.20899782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33822944" y3="-2.9658671" z3="8.67001472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43136932" y3="-3.1201254" z3="8.58072589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81872965" y3="-3.85083941" z3="8.26230767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74473306" y3="-1.71743238" z3="7.4188838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2488223" y3="-0.31563856" z3="5.96297254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53904854" y3="-0.9326551" z3="6.43574389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09180329" y3="0.74187894" z3="6.03987718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29507563" y3="-0.67295001" z3="4.46394973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.6764916" y3="-0.41264663" z3="3.99175538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06092543" y3="-0.04258673" z3="3.97078061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59310802" y3="-2.14961475" z3="4.20346127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61037574" y3="-2.37764442" z3="4.57067738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08309475" y3="-2.76121032" z3="4.82738516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46044743" y3="-2.582616" z3="2.74018156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60107314" y3="-3.67727955" z3="2.67695734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57183992" y3="-2.38736627" z3="2.3903398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44625238" y3="-1.90686143" z3="1.787733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48848844" y3="-2.08083794" z3="2.11543316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.29120969" y3="-0.81409094" z3="1.74925992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34456039" y3="-2.2972308" z3="0.75792535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92641499" y3="-2.60732999" z3="7.69896924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5230777" y3="-0.51983125" z3="6.72774776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39958122" y3="0.08495701" z3="6.4735323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05226682" y3="-1.83681122" z3="7.8923466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44194214" y3="0.17286049" z3="11.82435964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01189572" y3="0.47546884" z3="12.79696904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.66316815" y3="-0.90700591" z3="11.86942669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40134327" y3="0.69449357" z3="11.67590578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51840771" y3="0.47766841" z3="10.67521706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74856421" y3="1.56333522" z3="10.66534128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48078613" y3="-0.03734372" z3="10.85995668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.00043139" y3="0.04092499" z3="9.29526814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.31272331" y3="-1.01711811" z3="9.33615701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81843206" y3="0.08388136" z3="8.55895623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14463002" y3="0.9039194" z3="8.78788703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18220298" y3="1.08208192" z3="9.40821237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86805194" y3="1.60542551" z3="7.96154016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6205,-1.5942,10.8078;-3.29,-.6635,10.3151;-3.3476,-1.5311,11.8775;-4.7245,-1.6528,10.7431;-2.9687,-2.8035,10.1449;-3.2548,-3.737,10.6708;-1.8697,-2.7245,10.209;-3.3382,-2.9659,8.67;-4.4314,-3.1201,8.5807;-2.8187,-3.8508,8.2623;-1.7447,-1.7174,7.4189;-.2488,-.3156,5.963;.539,-.9327,6.4357;.0918,.7419,6.0399;-.2951,-.673,4.4639;.6765,-.4126,3.9918;-1.0609,-.0426,3.9708;-.5931,-2.1496,4.2035;-1.6104,-2.3776,4.5707;.0831,-2.7612,4.8274;-.4604,-2.5826,2.7402;-.6011,-3.6773,2.677;.5718,-2.3874,2.3903;-1.4463,-1.9069,1.7877;-2.4885,-2.0808,2.1154;-1.2912,-.8141,1.7493;-1.3446,-2.2972,.7579;-.9264,-2.6073,7.699;-1.5231,-.5198,6.7277;-2.3996,.085,6.4735;-3.0523,-1.8368,7.8923;-.4419,.1729,11.8244;-.0119,.4755,12.797;-.6632,-.907,11.8694;-1.4013,.6945,11.6759;.5184,.4777,10.6752;.7486,1.5633,10.6653;1.4808,-.0373,10.86;-.0004,.0409,9.2953;-.3127,-1.0171,9.3362;.8184,.0839,8.559;-1.1446,.9039,8.7879;-2.1822,1.0821,9.4082;-.8681,1.6054,7.9615;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605132081570</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">0.002819386104 0.000605003795 0.041432038435 0.008703123729</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="126">-0.002721763 -0.000519129 0.000193900 0.000315434 0.000375935 0.000679864 0.001143347 0.001739713 0.001775113 0.002349320 0.002855240 0.003675633 0.004034081 0.004302027 0.005238878 0.006008148 0.006872334 0.007589645 0.008896277 0.009486062 0.011543145 0.012600741 0.013370280 0.018893052 0.020988964 0.022109134 0.024967017 0.027016349 0.030882239 0.032403539 0.034203927 0.034478862 0.035000451 0.036365572 0.040456737 0.044926124 0.046516927 0.047553813 0.048832749 0.051524500 0.052164688 0.053537049 0.054998240 0.058174776 0.059416641 0.060345864 0.067283682 0.068868056 0.071346420 0.072524079 0.074533698 0.077333876 0.077541963 0.079566974 0.082010982 0.082995618 0.090402480 0.097559445 0.098912374 0.100211044 0.106273473 0.109230668 0.113378025 0.115041982 0.115444697 0.129701146 0.135116241 0.136894347 0.138052243 0.140481173 0.147122773 0.156437766 0.162716101 0.168863175 0.172172492 0.177497241 0.178893398 0.188551833 0.196359985 0.203477138 0.210202940 0.219140118 0.234047639 0.251593244 0.252216855 0.292182343 0.309685021 0.342159448 0.384692650 0.415977988 0.430687013 0.475513228 0.507068600 0.544499979 0.588904334 0.612839192 0.626783352 0.661280518 0.735805343 0.737458718 0.750885710 0.755231289 0.770862298 0.778400636 0.782829994 0.785615755 0.788687774 0.797478760 0.805569203 0.814447548 0.821310674 0.833688035 0.847108501 0.847384001 0.850150060 0.864708268 0.892042702 0.900624231 0.902722182 0.904458365 0.915928559 0.918598836 0.933683659 0.972226709 1.448214650 1.545000736</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="-3.62653532" y3="-1.59339619" z3="10.80536366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30026984" y3="-0.66165558" z3="10.31171367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.35319471" y3="-1.52800513" z3="11.87478725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73023451" y3="-1.65692885" z3="10.74124029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96942774" y3="-2.8001081" z3="10.14315626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25225921" y3="-3.73481109" z3="10.66896103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87065393" y3="-2.7166408" z3="10.20790055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3368057" y3="-2.96349511" z3="8.66787484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42938868" y3="-3.12068078" z3="8.57705502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8143246" y3="-3.84703141" z3="8.26093015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74418762" y3="-1.71212755" z3="7.41888545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24848293" y3="-0.31351364" z3="5.96153837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53750655" y3="-0.92990703" z3="6.43583775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09239119" y3="0.74327936" z3="6.03692478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29254706" y3="-0.67355416" z3="4.4635435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68148644" y3="-0.41810486" z3="3.99271176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0545733" y3="-0.04132464" z3="3.96687552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59650477" y3="-2.15003021" z3="4.20767567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61503668" y3="-2.37199794" z3="4.57497745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07659605" y3="-2.76227996" z3="4.83444971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46477998" y3="-2.58960421" z3="2.74599806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60329728" y3="-3.68787638" z3="2.68729324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56968152" y3="-2.39372351" z3="2.39611275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44937582" y3="-1.91399379" z3="1.79077619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48910085" y3="-2.07401099" z3="2.12330954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28329932" y3="-0.82515685" z3="1.74405907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.35533455" y3="-2.30975317" z3="0.76323982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92434494" y3="-2.59939183" z3="7.70266569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52384594" y3="-0.51826765" z3="6.72404263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40044675" y3="0.08620989" z3="6.46884433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05258944" y3="-1.83358976" z3="7.89095013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44139903" y3="0.15303431" z3="11.82219438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01818662" y3="0.44309148" z3="12.8036242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.65249493" y3="-0.93418099" z3="11.84393227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40363509" y3="0.66784789" z3="11.67760388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51870014" y3="0.4818451" z3="10.67967327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74046011" y3="1.5664785" z3="10.68078419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48532711" y3="-0.02731656" z3="10.85953034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00773892" y3="0.05791323" z3="9.29317538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.29094659" y3="-1.00924356" z3="9.31205099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82955401" y3="0.12531339" z3="8.55755859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14344839" y3="0.91506233" z3="8.79346235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17933205" y3="1.08701462" z3="9.41693751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.87751965" y3="1.61399949" z3="7.96215137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6265,-1.5934,10.8054;-3.3003,-.6617,10.3117;-3.3532,-1.528,11.8748;-4.7302,-1.6569,10.7412;-2.9694,-2.8001,10.1432;-3.2523,-3.7348,10.669;-1.8707,-2.7166,10.2079;-3.3368,-2.9635,8.6679;-4.4294,-3.1207,8.5771;-2.8143,-3.847,8.2609;-1.7442,-1.7121,7.4189;-.2485,-.3135,5.9615;.5375,-.9299,6.4358;.0924,.7433,6.0369;-.2925,-.6736,4.4635;.6815,-.4181,3.9927;-1.0546,-.0413,3.9669;-.5965,-2.15,4.2077;-1.615,-2.372,4.575;.0766,-2.7623,4.8344;-.4648,-2.5896,2.746;-.6033,-3.6879,2.6873;.5697,-2.3937,2.3961;-1.4494,-1.914,1.7908;-2.4891,-2.074,2.1233;-1.2833,-.8252,1.7441;-1.3553,-2.3098,.7632;-.9243,-2.5994,7.7027;-1.5238,-.5183,6.724;-2.4004,.0862,6.4688;-3.0526,-1.8336,7.891;-.4414,.153,11.8222;-.0182,.4431,12.8036;-.6525,-.9342,11.8439;-1.4036,.6678,11.6776;.5187,.4818,10.6797;.7405,1.5665,10.6808;1.4853,-.0273,10.8595;.0077,.0579,9.2932;-.2909,-1.0092,9.3121;.8296,.1253,8.5576;-1.1434,.9151,8.7935;-2.1793,1.087,9.4169;-.8775,1.614,7.9622;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605146836833</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">0.003579402432 0.000798520406 0.036773157877 0.008698788033</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="126">-0.004027609 -0.001106552 0.000193888 0.000319977 0.000376545 0.000680354 0.001140512 0.001741915 0.001778074 0.002348015 0.002861476 0.003681057 0.004023645 0.004312172 0.005238221 0.006015223 0.006932740 0.007589114 0.008912159 0.009497974 0.011543724 0.012604602 0.013368204 0.018943170 0.021015783 0.022148525 0.025016304 0.027036277 0.030899448 0.032652796 0.034431001 0.034752923 0.035293941 0.036433395 0.040459319 0.044994750 0.046518667 0.047585052 0.049637328 0.051526517 0.052165136 0.053552293 0.055061105 0.058182124 0.059418387 0.060386257 0.067283227 0.068894869 0.071448101 0.072526557 0.074572274 0.077334207 0.077546299 0.079566861 0.082009533 0.083013245 0.090401010 0.097563559 0.098986211 0.100239780 0.106278389 0.109232747 0.113416122 0.115083543 0.115456902 0.129703836 0.135116653 0.136968493 0.138063238 0.140576115 0.147146197 0.156532950 0.162714692 0.168868993 0.172194994 0.177513123 0.178906185 0.188561553 0.196371238 0.203859597 0.210292952 0.219169326 0.234065883 0.251676558 0.252258492 0.292200182 0.309684879 0.342159101 0.384708391 0.416135755 0.430792203 0.475740264 0.507082918 0.544618901 0.589223347 0.613201528 0.627678873 0.661323446 0.735803817 0.737535675 0.750961050 0.755282802 0.770862680 0.778534757 0.783689288 0.785654215 0.788930077 0.797479338 0.805597112 0.814447817 0.821313338 0.833692745 0.847214055 0.847409122 0.850280932 0.864711186 0.892049682 0.900624770 0.902894892 0.904495482 0.915963605 0.918607292 0.933684180 0.972249707 1.448215533 1.545007562</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="-3.62049756" y3="-1.59597219" z3="10.80656447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.29022371" y3="-0.66514894" z3="10.31366684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.34718289" y3="-1.53298347" z3="11.87615336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.72440925" y3="-1.65470116" z3="10.74224864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96868054" y3="-2.8050174" z3="10.14337833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25474813" y3="-3.73883598" z3="10.66889944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86958257" y3="-2.72605118" z3="10.20782103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33794133" y3="-2.96674388" z3="8.66838442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43100678" y3="-3.12073327" z3="8.57861153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81832509" y3="-3.85136384" z3="8.26017416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74410388" y3="-1.71818063" z3="7.41821902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24694966" y3="-0.31630168" z3="5.96460768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53971074" y3="-0.93510397" z3="6.43543289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09575084" y3="0.73997442" z3="6.04170296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2953477" y3="-0.67254561" z3="4.46579066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67646424" y3="-0.41307991" z3="3.99283721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06059448" y3="-0.04087668" z3="3.97332657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59570692" y3="-2.14894645" z3="4.20541034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61358121" y3="-2.37503725" z3="4.57188799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07901274" y3="-2.76153086" z3="4.82992779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46273955" y3="-2.58306725" z3="2.742283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60106214" y3="-3.67987053" z3="2.67963717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57081272" y3="-2.38581659" z3="2.39327988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44813585" y3="-1.90647209" z3="1.78895834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48897304" y3="-2.07261241" z3="2.1194494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28663603" y3="-0.81579345" z3="1.74665831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.35126012" y3="-2.29897508" z3="0.76008702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92712957" y3="-2.60969377" z3="7.69430773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52033752" y3="-0.51881706" z3="6.73140405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3967884" y3="0.08591349" z3="6.47632229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05145664" y3="-1.83705492" z3="7.891643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44331288" y3="0.17782805" z3="11.82355326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01532185" y3="0.47882941" z3="12.79905804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.66470031" y3="-0.90505438" z3="11.86361161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40116778" y3="0.69896442" z3="11.67253293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51784897" y3="0.48052539" z3="10.67570324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74907632" y3="1.56337124" z3="10.66114845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47990842" y3="-0.03404521" z3="10.86258255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0008571" y3="0.04081877" z3="9.29640296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30777469" y3="-1.02115708" z3="9.33404841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82162196" y3="0.08854024" z3="8.55982672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14438439" y3="0.90039849" z3="8.78634571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1830462" y3="1.07763658" z3="9.40552284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86631713" y3="1.604171" z3="7.9629606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6205,-1.596,10.8066;-3.2902,-.6651,10.3137;-3.3472,-1.533,11.8762;-4.7244,-1.6547,10.7422;-2.9687,-2.805,10.1434;-3.2547,-3.7388,10.6689;-1.8696,-2.7261,10.2078;-3.3379,-2.9667,8.6684;-4.431,-3.1207,8.5786;-2.8183,-3.8514,8.2602;-1.7441,-1.7182,7.4182;-.2469,-.3163,5.9646;.5397,-.9351,6.4354;.0958,.74,6.0417;-.2953,-.6725,4.4658;.6765,-.4131,3.9928;-1.0606,-.0409,3.9733;-.5957,-2.1489,4.2054;-1.6136,-2.375,4.5719;.079,-2.7615,4.8299;-.4627,-2.5831,2.7423;-.6011,-3.6799,2.6796;.5708,-2.3858,2.3933;-1.4481,-1.9065,1.789;-2.489,-2.0726,2.1194;-1.2866,-.8158,1.7467;-1.3513,-2.299,.7601;-.9271,-2.6097,7.6943;-1.5203,-.5188,6.7314;-2.3968,.0859,6.4763;-3.0515,-1.8371,7.8916;-.4433,.1778,11.8236;-.0153,.4788,12.7991;-.6647,-.9051,11.8636;-1.4012,.699,11.6725;.5178,.4805,10.6757;.7491,1.5634,10.6611;1.4799,-.034,10.8626;.0009,.0408,9.2964;-.3078,-1.0212,9.334;.8216,.0885,8.5598;-1.1444,.9004,8.7863;-2.183,1.0776,9.4055;-.8663,1.6042,7.963;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605155592127</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">0.001972853701 0.000337162290 0.035020228627 0.008705850039</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="126">-0.012850680 -0.000206054 0.000172737 0.000294620 0.000405893 0.000704124 0.000928295 0.001710354 0.001793636 0.002245105 0.002859705 0.003246730 0.003683595 0.004299980 0.005232608 0.006000316 0.006879736 0.007584230 0.008759656 0.009419324 0.011545237 0.012593055 0.013340974 0.018974131 0.021030661 0.022225944 0.025082843 0.027048224 0.030923736 0.032848489 0.034444147 0.034898796 0.035936187 0.036967478 0.040463267 0.045015452 0.046517353 0.047611507 0.051486468 0.051703559 0.052171921 0.053701165 0.055625610 0.058170669 0.059417893 0.061320105 0.067285660 0.068843884 0.071440015 0.072521287 0.074684770 0.077353465 0.077565154 0.079582430 0.081999031 0.083005873 0.090418727 0.097565930 0.099148814 0.100326219 0.106287531 0.109233609 0.113488041 0.115221016 0.115555747 0.129702566 0.135128338 0.137294094 0.138099755 0.141012752 0.147249477 0.156823186 0.162714879 0.168883042 0.172246946 0.177772975 0.179022930 0.188608008 0.196397663 0.204640314 0.210443964 0.219260149 0.234090165 0.251709440 0.252327448 0.292220132 0.309681586 0.342156087 0.385077760 0.416486759 0.431000856 0.476068309 0.507116698 0.544811439 0.589691005 0.613619151 0.632038570 0.661466277 0.735807440 0.737654183 0.751047940 0.755391543 0.770864319 0.778726443 0.785443169 0.786136548 0.790105772 0.797482588 0.805648936 0.814446660 0.821320909 0.833849688 0.847296199 0.847478758 0.850528269 0.864710322 0.892062907 0.900628721 0.903631664 0.904739068 0.916021912 0.918632704 0.933685387 0.972390447 1.448229119 1.545045385</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="-3.63186717" y3="-1.58577541" z3="10.80507369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30373802" y3="-0.65555302" z3="10.30997192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36386173" y3="-1.51660177" z3="11.87577437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73522831" y3="-1.65014851" z3="10.73548244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97085351" y3="-2.79445099" z3="10.15005302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25370875" y3="-3.7272419" z3="10.67904788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87238884" y3="-2.70904921" z3="10.2183579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33381959" y3="-2.96523877" z3="8.67426307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42575137" y3="-3.12684654" z3="8.58134212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.80690369" y3="-3.84847752" z3="8.27202553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74417845" y3="-1.71451733" z3="7.42004393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.25213957" y3="-0.31163085" z3="5.96147998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53725679" y3="-0.92495879" z3="6.43546405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08476997" y3="0.74695951" z3="6.03646568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29643051" y3="-0.671399" z3="4.46333115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67493626" y3="-0.40915808" z3="3.99105139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06356657" y3="-0.04360689" z3="3.96873246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59147163" y3="-2.14920231" z3="4.20588737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60780143" y3="-2.37790724" z3="4.57445587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08638341" y3="-2.75831959" z3="4.83029542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45925674" y3="-2.58515923" z3="2.74332932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59595828" y3="-3.68206034" z3="2.6822766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57346908" y3="-2.38663961" z3="2.39280421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44743297" y3="-1.9122999" z3="1.7902376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48871054" y3="-2.08587206" z3="2.11841417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2927314" y3="-0.81996343" z3="1.75113189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34577904" y3="-2.30220253" z3="0.76071258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92296441" y3="-2.60065632" z3="7.70281454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52623762" y3="-0.51956619" z3="6.72543492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40423401" y3="0.08313177" z3="6.47098352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05181065" y3="-1.83719014" z3="7.89368874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43868739" y3="0.15045949" z3="11.81925805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0134035" y3="0.44380918" z3="12.79784715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.65073918" y3="-0.93435728" z3="11.8471042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40076783" y3="0.6641202" z3="11.67316367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51999909" y3="0.4746523" z3="10.67612306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74326803" y3="1.55869881" z3="10.67545543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48558786" y3="-0.03501294" z3="10.85638538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00528399" y3="0.0495612" z3="9.29163466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30002803" y3="-1.01300948" z3="9.31628245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82514098" y3="0.10762113" z3="8.55649637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1421256" y3="0.90984333" z3="8.78959089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17722131" y3="1.08647468" z3="9.41333979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.87265959" y3="1.60812891" z3="7.95926443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6319,-1.5858,10.8051;-3.3037,-.6556,10.31;-3.3639,-1.5166,11.8758;-4.7352,-1.6501,10.7355;-2.9709,-2.7945,10.1501;-3.2537,-3.7272,10.679;-1.8724,-2.709,10.2184;-3.3338,-2.9652,8.6743;-4.4258,-3.1268,8.5813;-2.8069,-3.8485,8.272;-1.7442,-1.7145,7.42;-.2521,-.3116,5.9615;.5373,-.925,6.4355;.0848,.747,6.0365;-.2964,-.6714,4.4633;.6749,-.4092,3.9911;-1.0636,-.0436,3.9687;-.5915,-2.1492,4.2059;-1.6078,-2.3779,4.5745;.0864,-2.7583,4.8303;-.4593,-2.5852,2.7433;-.596,-3.6821,2.6823;.5735,-2.3866,2.3928;-1.4474,-1.9123,1.7902;-2.4887,-2.0859,2.1184;-1.2927,-.82,1.7511;-1.3458,-2.3022,.7607;-.923,-2.6007,7.7028;-1.5262,-.5196,6.7254;-2.4042,.0831,6.471;-3.0518,-1.8372,7.8937;-.4387,.1505,11.8193;-.0134,.4438,12.7978;-.6507,-.9344,11.8471;-1.4008,.6641,11.6732;.52,.4747,10.6761;.7433,1.5587,10.6755;1.4856,-.035,10.8564;.0053,.0496,9.2916;-.3,-1.013,9.3163;.8251,.1076,8.5565;-1.1421,.9098,8.7896;-2.1772,1.0865,9.4133;-.8727,1.6081,7.9593;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605150412604</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">0.001578933634 0.000315185105 0.039103906618 0.008709239205</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="126">-0.010995775 -0.000318686 -0.000203109 0.000239196 0.000516456 0.000797314 0.001067770 0.001704844 0.001895932 0.002270641 0.002945842 0.003239588 0.003700376 0.004379498 0.005253370 0.006028455 0.006897669 0.007597684 0.008781646 0.009428244 0.011558825 0.012600474 0.013358377 0.018983441 0.021030667 0.022219668 0.025084099 0.027041732 0.030927124 0.032845455 0.034442879 0.034905120 0.035908914 0.036953532 0.040462704 0.045012369 0.046518523 0.047612495 0.051479018 0.051656990 0.052169830 0.053702334 0.055598871 0.058181934 0.059421714 0.061546591 0.067286111 0.068845032 0.071481425 0.072520749 0.074702340 0.077376874 0.077564604 0.079580564 0.081997238 0.083010328 0.090420395 0.097567347 0.099145575 0.100321509 0.106286996 0.109233263 0.113488938 0.115245864 0.115581951 0.129702956 0.135131047 0.137293805 0.138107103 0.141009966 0.147245655 0.156909731 0.162748213 0.168882239 0.172247957 0.177825195 0.179082280 0.188609897 0.196407960 0.204604597 0.210474889 0.219266181 0.234122424 0.251877181 0.252590252 0.292231924 0.309688062 0.342156093 0.385119155 0.416480270 0.431011329 0.476071812 0.507126531 0.544807320 0.589692541 0.613617966 0.632406682 0.661465965 0.735834604 0.737671469 0.751052014 0.755391640 0.770872662 0.778726122 0.785442401 0.786127122 0.790270205 0.797483980 0.805648551 0.814455245 0.821320803 0.834264104 0.847293228 0.847481653 0.850533882 0.864717200 0.892066692 0.900653739 0.903767457 0.904799815 0.916045625 0.918641567 0.933685727 0.972406743 1.448325993 1.545083001</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="-3.63156437" y3="-1.58753601" z3="10.8077295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30574492" y3="-0.65619209" z3="10.31354523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.3594288" y3="-1.52044737" z3="11.8772368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73490686" y3="-1.65180884" z3="10.74262601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97306634" y3="-2.79431722" z3="10.14773178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25483611" y3="-3.72805962" z3="10.67552556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87467112" y3="-2.70934056" z3="10.21177497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34018727" y3="-2.96096698" z3="8.6728466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43237452" y3="-3.12098912" z3="8.58276784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81585035" y3="-3.84426355" z3="8.26795873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7500456" y3="-1.70925504" z3="7.42042715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.25680179" y3="-0.3122881" z3="5.95815124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53019929" y3="-0.92430562" z3="6.4373815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07908563" y3="0.74655569" z3="6.03332307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29249851" y3="-0.67435658" z3="4.46028138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68234659" y3="-0.41549973" z3="3.99292984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05550532" y3="-0.04576188" z3="3.96003134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59027679" y3="-2.15204639" z3="4.20504639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60794335" y3="-2.37701677" z3="4.5725711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08497936" y3="-2.76138885" z3="4.83222735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45715255" y3="-2.59159724" z3="2.74359626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59741448" y3="-3.68752161" z3="2.68473811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57591719" y3="-2.39740604" z3="2.39334452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44299203" y3="-1.91886011" z3="1.78808856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.4841027" y3="-2.08912618" z3="2.11719125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28621317" y3="-0.82700498" z3="1.74473388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34329605" y3="-2.31260507" z3="0.75981028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92670549" y3="-2.59137991" z3="7.71360174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53512495" y3="-0.5225583" z3="6.71386004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41201714" y3="0.08185936" z3="6.4596944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05889815" y3="-1.83235526" z3="7.89355444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43306856" y3="0.13176591" z3="11.82088057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00847642" y3="0.41512182" z3="12.80312145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63788153" y3="-0.95490929" z3="11.83528462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39906262" y3="0.64210216" z3="11.6836883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5228577" y3="0.47808196" z3="10.68061072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.73988129" y3="1.56450711" z3="10.69660696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49168953" y3="-0.02925387" z3="10.8520511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.01060849" y3="0.07016479" z3="9.2895578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.28571364" y3="-0.99689571" z3="9.29710662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.83010551" y3="0.14672503" z3="8.55314301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14434286" y3="0.9297301" z3="8.80270053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17517181" y3="1.10016816" z3="9.4344265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8926962" y3="1.61991907" z3="7.95886783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6316,-1.5875,10.8077;-3.3057,-.6562,10.3135;-3.3594,-1.5204,11.8772;-4.7349,-1.6518,10.7426;-2.9731,-2.7943,10.1477;-3.2548,-3.7281,10.6755;-1.8747,-2.7093,10.2118;-3.3402,-2.961,8.6728;-4.4324,-3.121,8.5828;-2.8159,-3.8443,8.268;-1.75,-1.7093,7.4204;-.2568,-.3123,5.9582;.5302,-.9243,6.4374;.0791,.7466,6.0333;-.2925,-.6744,4.4603;.6823,-.4155,3.9929;-1.0555,-.0458,3.96;-.5903,-2.152,4.205;-1.6079,-2.377,4.5726;.085,-2.7614,4.8322;-.4572,-2.5916,2.7436;-.5974,-3.6875,2.6847;.5759,-2.3974,2.3933;-1.443,-1.9189,1.7881;-2.4841,-2.0891,2.1172;-1.2862,-.827,1.7447;-1.3433,-2.3126,.7598;-.9267,-2.5914,7.7136;-1.5351,-.5226,6.7139;-2.412,.0819,6.4597;-3.0589,-1.8324,7.8936;-.4331,.1318,11.8209;-.0085,.4151,12.8031;-.6379,-.9549,11.8353;-1.3991,.6421,11.6837;.5229,.4781,10.6806;.7399,1.5645,10.6966;1.4917,-.0293,10.8521;.0106,.0702,9.2896;-.2857,-.9969,9.2971;.8301,.1467,8.5531;-1.1443,.9297,8.8027;-2.1752,1.1002,9.4344;-.8927,1.6199,7.9589;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605154244312</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">0.001489764667 0.000365337836 0.030413263762 0.008698001229</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="126">-0.009653604 -0.000704945 -0.000304101 0.000240421 0.000526516 0.000792942 0.001055683 0.001727925 0.001894634 0.002267092 0.002946777 0.003253047 0.003704532 0.004384455 0.005272860 0.006050256 0.006898987 0.007632623 0.008785608 0.009439734 0.011559860 0.012600930 0.013361015 0.018989250 0.021035097 0.022210788 0.025073898 0.027049512 0.030935207 0.032836099 0.034446891 0.034919392 0.035961121 0.036982418 0.040462585 0.045020838 0.046518799 0.047610538 0.051449851 0.051603856 0.052175363 0.053686431 0.055553066 0.058182610 0.059426724 0.061531684 0.067285669 0.068849883 0.071487677 0.072521984 0.074689672 0.077378151 0.077565947 0.079579121 0.081998760 0.083011904 0.090420463 0.097565051 0.099151097 0.100327108 0.106286106 0.109232651 0.113486830 0.115243730 0.115575413 0.129704045 0.135131634 0.137286988 0.138103593 0.140995100 0.147238504 0.156893332 0.162748061 0.168883506 0.172251898 0.177825640 0.179081880 0.188608037 0.196407716 0.204564944 0.210456288 0.219271683 0.234142179 0.251863645 0.252611864 0.292240854 0.309694317 0.342155338 0.385155793 0.416470248 0.431011893 0.476072010 0.507132707 0.544825992 0.589709194 0.613619931 0.632333915 0.661462327 0.735833921 0.737675734 0.751057659 0.755391419 0.770872791 0.778723703 0.785493329 0.786107152 0.790225444 0.797483847 0.805646785 0.814455477 0.821320843 0.834265948 0.847289234 0.847476906 0.850525501 0.864718101 0.892066928 0.900654653 0.903770745 0.904794456 0.916052003 0.918640505 0.933686022 0.972401759 1.448403796 1.545106574</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="-3.62787884" y3="-1.58990952" z3="10.81049455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30863548" y3="-0.65606344" z3="10.31647407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.34908493" y3="-1.52397712" z3="11.87843604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73179781" y3="-1.65743643" z3="10.75206282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96970403" y3="-2.79364195" z3="10.14385813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24868704" y3="-3.72968141" z3="10.66951454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87090379" y3="-2.70752784" z3="10.20343555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34171212" y3="-2.95487424" z3="8.6694485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43443556" y3="-3.11443128" z3="8.58237852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81926113" y3="-3.83756535" z3="8.26049977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75268906" y3="-1.69851522" z3="7.41983524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26093561" y3="-0.30767466" z3="5.95159845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52574094" y3="-0.91458291" z3="6.43882618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07092942" y3="0.75311459" z3="6.02300002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28772586" y3="-0.67736443" z3="4.45481903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69053967" y3="-0.42399337" z3="3.99200554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04555339" y3="-0.04872355" z3="3.94707119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58935834" y3="-2.15495967" z3="4.20525844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60751054" y3="-2.37514111" z3="4.57405155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08386009" y3="-2.76398905" z3="4.83473378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45764437" y3="-2.60020327" z3="2.74552534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59858582" y3="-3.69735576" z3="2.69125973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57622468" y3="-2.4075894" z3="2.39407368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44223151" y3="-1.92872942" z3="1.78816211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48351684" y3="-2.09562908" z3="2.11746308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28241365" y3="-0.83820869" z3="1.74266023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34212102" y3="-2.32454194" z3="0.76088932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92569639" y3="-2.57497494" z3="7.72382928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54293874" y3="-0.52020506" z3="6.69986093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41941785" y3="0.08392742" z3="6.44502395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06255846" y3="-1.82420523" z3="7.89284689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43020732" y3="0.11077785" z3="11.82481098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00676746" y3="0.38470856" z3="12.80995144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62826633" y3="-0.97810052" z3="11.82519316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39894717" y3="0.61730631" z3="11.6954175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52208182" y3="0.47677018" z3="10.68694863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.73559507" y3="1.56262242" z3="10.71607038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49285039" y3="-0.02972854" z3="10.84888694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0065481" y3="0.08682131" z3="9.29200494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.29487693" y3="-0.97696173" z3="9.28644431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82301692" y3="0.1666292" z3="8.55676185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14410139" y3="0.95353539" z3="8.81380015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17125073" y3="1.12798698" z3="9.44503396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89833338" y3="1.63167325" z3="7.96165217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6279,-1.5899,10.8105;-3.3086,-.6561,10.3165;-3.3491,-1.524,11.8784;-4.7318,-1.6574,10.7521;-2.9697,-2.7936,10.1439;-3.2487,-3.7297,10.6695;-1.8709,-2.7075,10.2034;-3.3417,-2.9549,8.6694;-4.4344,-3.1144,8.5824;-2.8193,-3.8376,8.2605;-1.7527,-1.6985,7.4198;-.2609,-.3077,5.9516;.5257,-.9146,6.4388;.0709,.7531,6.023;-.2877,-.6774,4.4548;.6905,-.424,3.992;-1.0456,-.0487,3.9471;-.5894,-2.155,4.2053;-1.6075,-2.3751,4.5741;.0839,-2.764,4.8347;-.4576,-2.6002,2.7455;-.5986,-3.6974,2.6913;.5762,-2.4076,2.3941;-1.4422,-1.9287,1.7882;-2.4835,-2.0956,2.1175;-1.2824,-.8382,1.7427;-1.3421,-2.3245,.7609;-.9257,-2.575,7.7238;-1.5429,-.5202,6.6999;-2.4194,.0839,6.445;-3.0626,-1.8242,7.8928;-.4302,.1108,11.8248;-.0068,.3847,12.81;-.6283,-.9781,11.8252;-1.3989,.6173,11.6954;.5221,.4768,10.6869;.7356,1.5626,10.7161;1.4929,-.0297,10.8489;.0065,.0868,9.292;-.2949,-.977,9.2864;.823,.1666,8.5568;-1.1441,.9535,8.8138;-2.1713,1.128,9.445;-.8983,1.6317,7.9617;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605146004978</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">0.004170076747 0.000627649073 0.037871958821 0.008701852945</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="126">-0.009273632 -0.001431809 -0.000346268 0.000240564 0.000525787 0.000784604 0.001082411 0.001761301 0.001889380 0.002310047 0.002951136 0.003600031 0.003759837 0.004433161 0.005365597 0.006177036 0.006899453 0.007781523 0.008832095 0.009488603 0.011561894 0.012601038 0.013430704 0.018997605 0.021041699 0.022270185 0.025095240 0.027101979 0.030996231 0.032839415 0.034449841 0.034916109 0.036046678 0.036999703 0.040463105 0.045049927 0.046519037 0.047623896 0.051446234 0.051614931 0.052181470 0.053686994 0.055549325 0.058182611 0.059426683 0.061522465 0.067286973 0.068850623 0.071486272 0.072522419 0.074693221 0.077379131 0.077567572 0.079578796 0.081997348 0.083011118 0.090436615 0.097571848 0.099155196 0.100330587 0.106285824 0.109232774 0.113487985 0.115243249 0.115579159 0.129704742 0.135135948 0.137358155 0.138119227 0.140992667 0.147244094 0.156910214 0.162755091 0.168884131 0.172257247 0.177876257 0.179096660 0.188617125 0.196409441 0.204604265 0.210481193 0.219313847 0.234217250 0.251867508 0.252765463 0.292242108 0.309732769 0.342160245 0.385431873 0.416469610 0.431018120 0.476089341 0.507160675 0.544847834 0.589791628 0.613658248 0.632420706 0.661477466 0.735840014 0.737675561 0.751078719 0.755392113 0.770873446 0.778726858 0.785564376 0.786137255 0.790300430 0.797484187 0.805647907 0.814481912 0.821322553 0.834566444 0.847292634 0.847475913 0.850530745 0.864718999 0.892067669 0.900654947 0.903779991 0.904793485 0.916069531 0.918640815 0.933685750 0.972426724 1.449234833 1.545178830</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="-3.62192325" y3="-1.59148475" z3="10.81517767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30368269" y3="-0.65687572" z3="10.32308995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.33894738" y3="-1.52856921" z3="11.88221457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.72580476" y3="-1.65638256" z3="10.76085714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96850787" y3="-2.79401912" z3="10.14236536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24739778" y3="-3.73071775" z3="10.66642557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86961123" y3="-2.71009183" z3="10.19792334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34627829" y3="-2.95096847" z3="8.66870705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43953042" y3="-3.10979226" z3="8.58531191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82581181" y3="-3.83352408" z3="8.25627125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75988059" y3="-1.69338057" z3="7.41700574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26731841" y3="-0.30811126" z3="5.94593815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5161633" y3="-0.91393054" z3="6.43801991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.06379698" y3="0.75237947" z3="6.01813468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28334476" y3="-0.6794622" z3="4.44951269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69916354" y3="-0.42939425" z3="3.99337061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03622103" y3="-0.05053002" z3="3.9343786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58646729" y3="-2.15708125" z3="4.20134415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60583502" y3="-2.37495441" z3="4.56895981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08537061" y3="-2.76580438" z3="4.83332748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45369451" y3="-2.60536093" z3="2.74263986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59662122" y3="-3.70128618" z3="2.6903389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.579564" y3="-2.41567791" z3="2.39101176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43936743" y3="-1.93686641" z3="1.78288086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.4811466" y3="-2.10422237" z3="2.11317031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28207532" y3="-0.84442303" z3="1.7322354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34073703" y3="-2.33773018" z3="0.75699593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93021258" y3="-2.56516272" z3="7.72965228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5540229" y3="-0.5243176" z3="6.68533413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.42967629" y3="0.08180905" z3="6.4307398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06979569" y3="-1.81904161" z3="7.89328601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43061913" y3="0.09970288" z3="11.82808745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00317765" y3="0.36366144" z3="12.81457802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63554389" y3="-0.98400526" z3="11.8215604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39607933" y3="0.61094188" z3="11.70275608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52224115" y3="0.47227926" z3="10.69670745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74170191" y3="1.55824472" z3="10.74422138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48929902" y3="-0.040019" z3="10.85384562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.01028205" y3="0.10352357" z3="9.29330692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.28477613" y3="-0.96679633" z3="9.26592343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82999012" y3="0.20450116" z3="8.55656233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14524725" y3="0.97432011" z3="8.83147503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1665621" y3="1.14654708" z3="9.47655345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92001684" y3="1.64146086" z3="7.96017438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6219,-1.5915,10.8152;-3.3037,-.6569,10.3231;-3.3389,-1.5286,11.8822;-4.7258,-1.6564,10.7609;-2.9685,-2.794,10.1424;-3.2474,-3.7307,10.6664;-1.8696,-2.7101,10.1979;-3.3463,-2.951,8.6687;-4.4395,-3.1098,8.5853;-2.8258,-3.8335,8.2563;-1.7599,-1.6934,7.417;-.2673,-.3081,5.9459;.5162,-.9139,6.438;.0638,.7524,6.0181;-.2833,-.6795,4.4495;.6992,-.4294,3.9934;-1.0362,-.0505,3.9344;-.5865,-2.1571,4.2013;-1.6058,-2.375,4.569;.0854,-2.7658,4.8333;-.4537,-2.6054,2.7426;-.5966,-3.7013,2.6903;.5796,-2.4157,2.391;-1.4394,-1.9369,1.7829;-2.4811,-2.1042,2.1132;-1.2821,-.8444,1.7322;-1.3407,-2.3377,.757;-.9302,-2.5652,7.7297;-1.554,-.5243,6.6853;-2.4297,.0818,6.4307;-3.0698,-1.819,7.8933;-.4306,.0997,11.8281;-.0032,.3637,12.8146;-.6355,-.984,11.8216;-1.3961,.6109,11.7028;.5222,.4723,10.6967;.7417,1.5582,10.7442;1.4893,-.04,10.8538;.0103,.1035,9.2933;-.2848,-.9668,9.2659;.83,.2045,8.5566;-1.1452,.9743,8.8315;-2.1666,1.1465,9.4766;-.92,1.6415,7.9602;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605108976836</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">0.006144421567 0.001086626562 0.031718552904 0.008703648906</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="126">-0.009012822 -0.002934473 -0.000181050 0.000259855 0.000539510 0.000779352 0.001103822 0.001762324 0.001913579 0.002300665 0.002951963 0.003635885 0.004107612 0.004457885 0.005427901 0.006379928 0.006898474 0.007943891 0.008875808 0.009886737 0.011560363 0.012620755 0.013851971 0.019038390 0.021042538 0.022589332 0.025304865 0.027187362 0.031271408 0.032870035 0.034464368 0.034946801 0.036241137 0.037170436 0.040463823 0.045086684 0.046518755 0.047629583 0.051491965 0.051718239 0.052191783 0.053675797 0.055555707 0.058183075 0.059427460 0.061557066 0.067291247 0.068857999 0.071485853 0.072522460 0.074704651 0.077393088 0.077567384 0.079578237 0.082001681 0.083012366 0.090449511 0.097729552 0.099189870 0.100363677 0.106286347 0.109232041 0.113492020 0.115246909 0.115578367 0.129707846 0.135155873 0.137680062 0.138283002 0.141053640 0.147328629 0.156912955 0.162790412 0.168887353 0.172270030 0.178078616 0.179123234 0.188629828 0.196408548 0.204734044 0.210711982 0.219595047 0.235006080 0.251921236 0.253266756 0.292250707 0.309860197 0.342169264 0.387178584 0.416482281 0.431031244 0.476117406 0.507156141 0.544891070 0.589867399 0.613695999 0.632410203 0.661496637 0.735847065 0.737676656 0.751106508 0.755397524 0.770876922 0.778740859 0.785692004 0.786729394 0.790336686 0.797484815 0.805647889 0.814507289 0.821329104 0.835461134 0.847333737 0.847584248 0.850551895 0.864731452 0.892069815 0.900654938 0.903929408 0.904952107 0.916093219 0.918639394 0.933688251 0.972433368 1.451275519 1.545596638</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="-3.61576982" y3="-1.5894322" z3="10.82133592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.29792745" y3="-0.65474762" z3="10.32941897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.3289613" y3="-1.5287456" z3="11.88742266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.71995867" y3="-1.65064705" z3="10.77086591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96877138" y3="-2.79310768" z3="10.14481831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24945165" y3="-3.72892231" z3="10.66915627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8696475" y3="-2.71295087" z3="10.1961304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35201706" y3="-2.94708313" z3="8.67224038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44578108" y3="-3.10386001" z3="8.59319851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83577266" y3="-3.83085549" z3="8.25758433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76614051" y3="-1.68899998" z3="7.41920525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.27566222" y3="-0.30950735" z3="5.94009404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.50743498" y3="-0.9113068" z3="6.43935052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.05094908" y3="0.75313114" z3="6.01231687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28083351" y3="-0.68274124" z3="4.4437572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70428779" y3="-0.43075697" z3="3.99401724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03139858" y3="-0.05498894" z3="3.92405935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58133579" y3="-2.16066641" z3="4.1951196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60003376" y3="-2.37857473" z3="4.56356586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09107524" y3="-2.76856506" z3="4.82659627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.449095" y3="-2.61007996" z3="2.73658179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59081944" y3="-3.70667945" z3="2.68572981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58439314" y3="-2.41945557" z3="2.38400984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43393263" y3="-1.94243488" z3="1.77708429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47454365" y3="-2.1079001" z3="2.10787846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27387632" y3="-0.85279197" z3="1.72722084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33480493" y3="-2.34211586" z3="0.7513765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93276" y3="-2.5545112" z3="7.74357915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.56586307" y3="-0.52936831" z3="6.67140889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.44205812" y3="0.07487735" z3="6.41496624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07672053" y3="-1.81580627" z3="7.89646835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42664183" y3="0.08132112" z3="11.83236131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00095724" y3="0.33194289" z3="12.82310326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62388461" y3="-1.01077053" z3="11.8029504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39731386" y3="0.5945325" z3="11.7238411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52356996" y3="0.47696918" z3="10.69875172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74037483" y3="1.56087901" z3="10.75573344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49387701" y3="-0.03788653" z3="10.8439861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00648769" y3="0.12091317" z3="9.2968416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.29248204" y3="-0.94182864" z3="9.26548811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82079585" y3="0.21784562" z3="8.56288816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1467491" y3="0.99431765" z3="8.84166871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16235749" y3="1.17423095" z3="9.48417803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92728453" y3="1.64651545" z3="7.96402292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6158,-1.5894,10.8213;-3.2979,-.6547,10.3294;-3.329,-1.5287,11.8874;-4.72,-1.6506,10.7709;-2.9688,-2.7931,10.1448;-3.2495,-3.7289,10.6692;-1.8696,-2.713,10.1961;-3.352,-2.9471,8.6722;-4.4458,-3.1039,8.5932;-2.8358,-3.8309,8.2576;-1.7661,-1.689,7.4192;-.2757,-.3095,5.9401;.5074,-.9113,6.4394;.0509,.7531,6.0123;-.2808,-.6827,4.4438;.7043,-.4308,3.994;-1.0314,-.055,3.9241;-.5813,-2.1607,4.1951;-1.6,-2.3786,4.5636;.0911,-2.7686,4.8266;-.4491,-2.6101,2.7366;-.5908,-3.7067,2.6857;.5844,-2.4195,2.384;-1.4339,-1.9424,1.7771;-2.4745,-2.1079,2.1079;-1.2739,-.8528,1.7272;-1.3348,-2.3421,.7514;-.9328,-2.5545,7.7436;-1.5659,-.5294,6.6714;-2.4421,.0749,6.415;-3.0767,-1.8158,7.8965;-.4266,.0813,11.8324;-.001,.3319,12.8231;-.6239,-1.0108,11.803;-1.3973,.5945,11.7238;.5236,.477,10.6988;.7404,1.5609,10.7557;1.4939,-.0379,10.844;.0065,.1209,9.2968;-.2925,-.9418,9.2655;.8208,.2178,8.5629;-1.1467,.9943,8.8417;-2.1624,1.1742,9.4842;-.9273,1.6465,7.964;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605078206813</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">0.008271543320 0.001315387848 0.026061016646 0.008703936888</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="126">-0.008875316 -0.003885058 -0.000140935 0.000266790 0.000537447 0.000785005 0.001156028 0.001765320 0.001949561 0.002297371 0.002956501 0.003636672 0.004393302 0.004457536 0.005424109 0.006438985 0.006898000 0.007928169 0.008884467 0.009895651 0.011566629 0.012661385 0.014405820 0.019063560 0.021042472 0.022902939 0.025547774 0.027375488 0.031547137 0.032961827 0.034461411 0.035336069 0.036443436 0.037983638 0.040476488 0.045183606 0.046518241 0.047686365 0.051514866 0.052040628 0.052233512 0.053701483 0.055713852 0.058196888 0.059427987 0.062012780 0.067293520 0.068863774 0.071506267 0.072522212 0.074699793 0.077522755 0.077597522 0.079584056 0.082032605 0.083016821 0.090552067 0.098377804 0.099311018 0.100427216 0.106286425 0.109233545 0.113499767 0.115254900 0.115628010 0.129712755 0.135175386 0.137878431 0.138892911 0.141140984 0.147343239 0.156940112 0.162826212 0.168888820 0.172275094 0.178275361 0.179331294 0.188628546 0.196411283 0.205205523 0.211579062 0.219808303 0.235408517 0.251921116 0.253241503 0.292294826 0.309962174 0.342181866 0.391000145 0.416492667 0.431043626 0.476217590 0.507330298 0.544901598 0.589960195 0.613811853 0.632449227 0.661506674 0.735938409 0.737738493 0.751157844 0.755407662 0.770890801 0.778749917 0.785690567 0.786905670 0.790873689 0.797498172 0.805649142 0.814523980 0.821329505 0.837021291 0.847339286 0.848154290 0.850843634 0.864759595 0.892069379 0.900659710 0.904061650 0.905315642 0.916092831 0.918638322 0.933688306 0.972477933 1.455508867 1.545974539</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="-3.6106994" y3="-1.58443629" z3="10.82921693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.29296299" y3="-0.64922422" z3="10.3373988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31992015" y3="-1.52503261" z3="11.89421415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.71551325" y3="-1.64394887" z3="10.78273385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96810805" y3="-2.78952844" z3="10.15026738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2491936" y3="-3.72513503" z3="10.67560261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86835206" y3="-2.71181992" z3="10.19760311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35699769" y3="-2.94295808" z3="8.6791175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45131062" y3="-3.09842484" z3="8.60443758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84369747" y3="-3.82797456" z3="8.2629987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77377011" y3="-1.68400302" z3="7.42355114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.28692357" y3="-0.30959464" z3="5.93646815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.49542326" y3="-0.90796724" z3="6.43987743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.03686282" y3="0.75385356" z3="6.00650808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28327478" y3="-0.68570949" z3="4.44025197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70271622" y3="-0.43071955" z3="3.99553967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03298522" y3="-0.0619944" z3="3.91465993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57486754" y3="-2.16507179" z3="4.18977921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.59224107" y3="-2.39092813" z3="4.55856141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10306947" y3="-2.76987664" z3="4.81904949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43928367" y3="-2.61117176" z3="2.73031809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57526524" y3="-3.70913829" z3="2.67709704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59401477" y3="-2.41507623" z3="2.37916053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42573898" y3="-1.94579035" z3="1.7703268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46704762" y3="-2.11566538" z3="2.09830141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27068591" y3="-0.85414275" z3="1.72237653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.32263412" y3="-2.34349754" z3="0.74381201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93628813" y3="-2.54199604" z3="7.75812531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.57899772" y3="-0.53141702" z3="6.66476009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.45696334" y3="0.0665325" z3="6.4010997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.08392798" y3="-1.8123429" z3="7.90126501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4230159" y3="0.06613928" z3="11.83371453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01283945" y3="0.30588187" z3="12.82283657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62947586" y3="-1.01457613" z3="11.80636621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38679926" y3="0.58124181" z3="11.72573572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52188461" y3="0.46391576" z3="10.7044849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.73903726" y3="1.54915838" z3="10.77427679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.4921198" y3="-0.05014734" z3="10.84075502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00131755" y3="0.13002939" z3="9.29563352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30199705" y3="-0.93821079" z3="9.24139381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81831135" y3="0.2396728" z3="8.55958709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14879419" y3="1.01051708" z3="8.84634301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15772164" y3="1.19958125" z3="9.50398824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94050417" y3="1.65038389" z3="7.95277782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6107,-1.5844,10.8292;-3.293,-.6492,10.3374;-3.3199,-1.525,11.8942;-4.7155,-1.6439,10.7827;-2.9681,-2.7895,10.1503;-3.2492,-3.7251,10.6756;-1.8684,-2.7118,10.1976;-3.357,-2.943,8.6791;-4.4513,-3.0984,8.6044;-2.8437,-3.828,8.263;-1.7738,-1.684,7.4236;-.2869,-.3096,5.9365;.4954,-.908,6.4399;.0369,.7539,6.0065;-.2833,-.6857,4.4403;.7027,-.4307,3.9955;-1.033,-.062,3.9147;-.5749,-2.1651,4.1898;-1.5922,-2.3909,4.5586;.1031,-2.7699,4.819;-.4393,-2.6112,2.7303;-.5753,-3.7091,2.6771;.594,-2.4151,2.3792;-1.4257,-1.9458,1.7703;-2.467,-2.1157,2.0983;-1.2707,-.8541,1.7224;-1.3226,-2.3435,.7438;-.9363,-2.542,7.7581;-1.579,-.5314,6.6648;-2.457,.0665,6.4011;-3.0839,-1.8123,7.9013;-.423,.0661,11.8337;.0128,.3059,12.8228;-.6295,-1.0146,11.8064;-1.3868,.5812,11.7257;.5219,.4639,10.7045;.739,1.5492,10.7743;1.4921,-.0501,10.8408;.0013,.13,9.2956;-.302,-.9382,9.2414;.8183,.2397,8.5596;-1.1488,1.0105,8.8463;-2.1577,1.1996,9.504;-.9405,1.6504,7.9528;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605066925070</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">0.007273647286 0.001297309202 0.023418427716 0.008704197592</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="126">-0.008781190 -0.003600220 -0.000071226 0.000272600 0.000539465 0.000779632 0.001142700 0.001771575 0.001950076 0.002293289 0.002958846 0.003661157 0.004352323 0.004488275 0.005435655 0.006444497 0.006905252 0.008001240 0.008954612 0.009928163 0.011567160 0.012660985 0.014559946 0.019058944 0.021057840 0.023031054 0.025643920 0.027437645 0.031571841 0.032968829 0.034463258 0.036064401 0.036529891 0.039315386 0.040524721 0.045222151 0.046519467 0.047704210 0.051518678 0.052065784 0.052231751 0.053737642 0.055922325 0.058249221 0.059432741 0.062486311 0.067294992 0.068898885 0.071518364 0.072532233 0.074717882 0.077537663 0.077817130 0.079608686 0.082087649 0.083019461 0.090617953 0.098951244 0.099814589 0.100654383 0.106292962 0.109231346 0.113498741 0.115272338 0.115758156 0.129711831 0.135189465 0.137926649 0.139543560 0.141269139 0.147350122 0.156934298 0.162821383 0.168889968 0.172280951 0.178367291 0.179759346 0.188693080 0.196438021 0.205824670 0.212027173 0.219849386 0.235573072 0.251939184 0.253247619 0.292296360 0.309977969 0.342180919 0.394635732 0.416611510 0.431050066 0.476215121 0.507729931 0.544917318 0.589962018 0.613808951 0.632456981 0.661505978 0.736212920 0.737996956 0.751160120 0.755415512 0.770891667 0.778778526 0.785695517 0.787744032 0.790955867 0.797503711 0.805657478 0.814534878 0.821337389 0.837921195 0.847342049 0.849435395 0.851721809 0.864820212 0.892074130 0.900662006 0.904346174 0.906045214 0.916211594 0.918637503 0.933699888 0.972711795 1.459261964 1.546622755</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="-3.60726275" y3="-1.57540098" z3="10.83745269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.28789979" y3="-0.64218275" z3="10.34362479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.31453818" y3="-1.51463132" z3="11.90190339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.71209577" y3="-1.63095799" z3="10.79287851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96943071" y3="-2.78336199" z3="10.15943418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25101514" y3="-3.71673927" z3="10.68833214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86942881" y3="-2.70766738" z3="10.20274153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36344202" y3="-2.94033505" z3="8.68972177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45816209" y3="-3.09747014" z3="8.61957895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85071161" y3="-3.82650181" z3="8.27478725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78472718" y3="-1.68475247" z3="7.42369562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.29859376" y3="-0.3138991" z3="5.93288481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.48356388" y3="-0.91012156" z3="6.43891208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.02190182" y3="0.75042782" z3="6.00611213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28755368" y3="-0.68669093" z3="4.43683955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69744631" y3="-0.42142568" z3="3.99475151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04234042" y3="-0.06850133" z3="3.91182154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.56613813" y3="-2.16798985" z3="4.18302567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5814048" y3="-2.4030194" z3="4.55094786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.11675389" y3="-2.76857286" z3="4.8110077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.42544753" y3="-2.6084699" z3="2.72234904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.55699431" y3="-3.70522024" z3="2.66482456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.60671113" y3="-2.40684052" z3="2.37382434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41515337" y3="-1.9468998" z3="1.76225134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.45644786" y3="-2.12655645" z3="2.08832069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2689791" y3="-0.85297542" z3="1.71614811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.30854496" y3="-2.34275942" z3="0.73529703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94496002" y3="-2.53819849" z3="7.76630668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.59347874" y3="-0.54312049" z3="6.6522893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.47157101" y3="0.05810571" z3="6.39217818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.09479376" y3="-1.81203541" z3="7.90763336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42030384" y3="0.05457367" z3="11.83154836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01706124" y3="0.28348881" z3="12.82162364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62761361" y3="-1.03451704" z3="11.78294778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3875107" y3="0.57800504" z3="11.74013587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52427012" y3="0.46134798" z3="10.70134415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.75210496" y3="1.5417783" z3="10.78087079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48756144" y3="-0.0629419" z3="10.8365602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00211517" y3="0.1361474" z3="9.29325873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.29777665" y3="-0.92662821" z3="9.23813684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81580972" y3="0.24972111" z3="8.55649852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15098326" y3="1.0216259" z3="8.85843255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15353723" y3="1.21466486" z3="9.51589879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.95482066" y3="1.64688584" z3="7.95324034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6073,-1.5754,10.8375;-3.2879,-.6422,10.3436;-3.3145,-1.5146,11.9019;-4.7121,-1.631,10.7929;-2.9694,-2.7834,10.1594;-3.251,-3.7167,10.6883;-1.8694,-2.7077,10.2027;-3.3634,-2.9403,8.6897;-4.4582,-3.0975,8.6196;-2.8507,-3.8265,8.2748;-1.7847,-1.6848,7.4237;-.2986,-.3139,5.9329;.4836,-.9101,6.4389;.0219,.7504,6.0061;-.2876,-.6867,4.4368;.6974,-.4214,3.9948;-1.0423,-.0685,3.9118;-.5661,-2.168,4.183;-1.5814,-2.403,4.5509;.1168,-2.7686,4.811;-.4254,-2.6085,2.7223;-.557,-3.7052,2.6648;.6067,-2.4068,2.3738;-1.4152,-1.9469,1.7623;-2.4564,-2.1266,2.0883;-1.269,-.853,1.7161;-1.3085,-2.3428,.7353;-.945,-2.5382,7.7663;-1.5935,-.5431,6.6523;-2.4716,.0581,6.3922;-3.0948,-1.812,7.9076;-.4203,.0546,11.8315;.0171,.2835,12.8216;-.6276,-1.0345,11.7829;-1.3875,.578,11.7401;.5243,.4613,10.7013;.7521,1.5418,10.7809;1.4876,-.0629,10.8366;.0021,.1361,9.2933;-.2978,-.9266,9.2381;.8158,.2497,8.5565;-1.151,1.0216,8.8584;-2.1535,1.2147,9.5159;-.9548,1.6469,7.9532;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605064307462</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">0.007657821043 0.001257156679 0.025796597012 0.008701786724</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="126">-0.008746598 -0.003271980 0.000023827 0.000277754 0.000534329 0.000776359 0.001127374 0.001780267 0.001947485 0.002293055 0.002959006 0.003653031 0.004336291 0.004482793 0.005437939 0.006434394 0.006905318 0.008051715 0.008997432 0.009962047 0.011576444 0.012670560 0.014545497 0.019056148 0.021057056 0.023078727 0.025667827 0.027458167 0.031571206 0.032984936 0.034470029 0.036365519 0.036699258 0.040346413 0.041386256 0.045269146 0.046522910 0.047730973 0.051520032 0.052064152 0.052241075 0.053727029 0.055968736 0.058299161 0.059442250 0.062461813 0.067295489 0.068978603 0.071534159 0.072561982 0.074769830 0.077536792 0.077969554 0.079631425 0.082109773 0.083018560 0.090696255 0.099087825 0.100227388 0.101649649 0.106304878 0.109230053 0.113508093 0.115289015 0.115874665 0.129712301 0.135195325 0.137941957 0.139749327 0.141266023 0.147407897 0.156932992 0.162883892 0.168910635 0.172298697 0.178392773 0.180339148 0.188859034 0.196556935 0.206681691 0.212218385 0.219899554 0.235780233 0.251939041 0.253306893 0.292301301 0.310001795 0.342187207 0.396300115 0.416721019 0.431074837 0.476227351 0.508498586 0.545008048 0.590028779 0.613816040 0.632455002 0.661505996 0.736890658 0.739126251 0.751177113 0.755415273 0.770897738 0.778790353 0.785697829 0.787998342 0.790989932 0.797506006 0.805656983 0.814564189 0.821357132 0.837967371 0.847344911 0.850024172 0.853935482 0.864852319 0.892085837 0.900664218 0.904439680 0.906186762 0.916234067 0.918657521 0.933713614 0.973075025 1.463102727 1.546818985</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="-3.6066242" y3="-1.56393603" z3="10.84468662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.28334611" y3="-0.63328154" z3="10.34847279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.3143019" y3="-1.50074543" z3="11.90905252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.71156388" y3="-1.61554277" z3="10.79944528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9727288" y3="-2.77658021" z3="10.17162718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25603887" y3="-3.70648672" z3="10.70541319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87275318" y3="-2.7033705" z3="10.21374948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36832961" y3="-2.94084558" z3="8.70320179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.46286651" y3="-3.09730535" z3="8.63522276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85728847" y3="-3.82960772" z3="8.29235681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79029685" y3="-1.69119297" z3="7.43068835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.30863994" y3="-0.3195095" z3="5.93111938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.47461726" y3="-0.91532108" z3="6.43607343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.0089535" y3="0.74551964" z3="6.00802302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29472359" y3="-0.68606457" z3="4.43325968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68692719" y3="-0.4084501" z3="3.99101478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05618031" y3="-0.07336286" z3="3.91199878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.55778365" y3="-2.16906152" z3="4.17280896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57021813" y3="-2.41666083" z3="4.54071875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.1325646" y3="-2.76495842" z3="4.79732977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.41330754" y3="-2.60222398" z3="2.7099838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53119772" y3="-3.70259706" z3="2.64783012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.61808772" y3="-2.38622368" z3="2.36317139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.40741227" y3="-1.94427754" z3="1.75265589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.44650987" y3="-2.13449983" z3="2.07427568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26891951" y3="-0.85129082" z3="1.71757957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.29229171" y3="-2.32878118" z3="0.72260871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94828415" y3="-2.54010923" z3="7.77887424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.60332856" y3="-0.55129619" z3="6.65132176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.48303014" y3="0.04404447" z3="6.386972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.09953813" y3="-1.81731922" z3="7.91425073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41830511" y3="0.05078798" z3="11.83224055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02504381" y3="0.27443995" z3="12.82267544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63577428" y3="-1.02954793" z3="11.79067466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37754279" y3="0.57867451" z3="11.73838728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52564131" y3="0.45351746" z3="10.70080344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.75290424" y3="1.53410862" z3="10.77730842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49392456" y3="-0.07311907" z3="10.82431541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.002269" y3="0.13363145" z3="9.29358979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30897389" y3="-0.93336435" z3="9.22962711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81074388" y3="0.24140562" z3="8.55673385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15106026" y3="1.01872379" z3="8.85531073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.14832495" y3="1.22154177" z3="9.52541844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.95801599" y3="1.63992581" z3="7.94950051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6066,-1.5639,10.8447;-3.2833,-.6333,10.3485;-3.3143,-1.5007,11.9091;-4.7116,-1.6155,10.7994;-2.9727,-2.7766,10.1716;-3.256,-3.7065,10.7054;-1.8728,-2.7034,10.2137;-3.3683,-2.9408,8.7032;-4.4629,-3.0973,8.6352;-2.8573,-3.8296,8.2924;-1.7903,-1.6912,7.4307;-.3086,-.3195,5.9311;.4746,-.9153,6.4361;.009,.7455,6.008;-.2947,-.6861,4.4333;.6869,-.4085,3.991;-1.0562,-.0734,3.912;-.5578,-2.1691,4.1728;-1.5702,-2.4167,4.5407;.1326,-2.765,4.7973;-.4133,-2.6022,2.71;-.5312,-3.7026,2.6478;.6181,-2.3862,2.3632;-1.4074,-1.9443,1.7527;-2.4465,-2.1345,2.0743;-1.2689,-.8513,1.7176;-1.2923,-2.3288,.7226;-.9483,-2.5401,7.7789;-1.6033,-.5513,6.6513;-2.483,.044,6.387;-3.0995,-1.8173,7.9143;-.4183,.0508,11.8322;.025,.2744,12.8227;-.6358,-1.0295,11.7907;-1.3775,.5787,11.7384;.5256,.4535,10.7008;.7529,1.5341,10.7773;1.4939,-.0731,10.8243;-.0023,.1336,9.2936;-.309,-.9334,9.2296;.8107,.2414,8.5567;-1.1511,1.0187,8.8553;-2.1483,1.2215,9.5254;-.958,1.6399,7.9495;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605036081550</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">0.008102010819 0.001365752245 0.021755995599 0.008704674259</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="126">-0.008662945 -0.002898865 0.000022270 0.000252222 0.000536183 0.000764197 0.001102068 0.001778127 0.001947549 0.002289920 0.002961960 0.003648745 0.004432442 0.004501098 0.005438059 0.006431629 0.006906070 0.008056233 0.009054789 0.009969417 0.011606446 0.012714786 0.014614452 0.019058061 0.021057166 0.023143187 0.025703454 0.027453564 0.031580288 0.032992102 0.034477692 0.036453201 0.036912804 0.040399773 0.042174773 0.045272553 0.046526022 0.047730555 0.051544824 0.052145344 0.052486992 0.053797927 0.055965663 0.058312410 0.059448575 0.062493034 0.067297392 0.068968357 0.071529095 0.072587079 0.074756006 0.077537810 0.077987433 0.079635514 0.082108267 0.083037608 0.090732495 0.099133016 0.100293129 0.102601859 0.106328359 0.109231969 0.113537134 0.115307270 0.116055950 0.129715630 0.135201273 0.137953333 0.139772743 0.141270646 0.147467365 0.156960565 0.163134750 0.168947484 0.172351888 0.178392218 0.180544261 0.188976175 0.196627367 0.207142333 0.212205978 0.220335733 0.236271115 0.251943333 0.253298130 0.292300912 0.310067159 0.342186938 0.397328144 0.416942182 0.431152265 0.476422051 0.508826025 0.545118228 0.590158118 0.613934306 0.633008136 0.661519473 0.737071173 0.740506124 0.751246434 0.755415592 0.770901995 0.778828282 0.785695631 0.789305068 0.791240486 0.797505984 0.805657869 0.814596442 0.821364312 0.838284999 0.847347396 0.850297651 0.855571041 0.864877245 0.892114411 0.900665483 0.904496375 0.906188888 0.916256327 0.918683079 0.933741186 0.973705196 1.466727523 1.547160838</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="-3.61347302" y3="-1.55118766" z3="10.84683276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.28973796" y3="-0.62389958" z3="10.34444738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.32408438" y3="-1.47941986" z3="11.91159077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7185078" y3="-1.60444865" z3="10.79902899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97609481" y3="-2.76859961" z3="10.18500811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25868106" y3="-3.69477316" z3="10.72624681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87604628" y3="-2.69279784" z3="10.22892853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36890213" y3="-2.94539799" z3="8.71704667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.46321964" y3="-3.10548764" z3="8.648945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85487251" y3="-3.83629132" z3="8.31411281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79326904" y3="-1.70149446" z3="7.43297693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.31476944" y3="-0.32700594" z3="5.93441547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.47000325" y3="-0.92475898" z3="6.43431592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.00256427" y3="0.73793452" z3="6.01612993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30402044" y3="-0.68451471" z3="4.43506565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67280531" y3="-0.39502599" z3="3.99053133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07387902" y3="-0.07629611" z3="3.92038656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.55255948" y3="-2.16858037" z3="4.16655509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5631596" y3="-2.42901714" z3="4.53182721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.14336868" y3="-2.76097457" z3="4.78801331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.40051083" y3="-2.59109289" z3="2.70149101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51154036" y3="-3.68955398" z3="2.6314836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.6284811" y3="-2.36634937" z3="2.35754604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.39959568" y3="-1.93671598" z3="1.74637219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.43827424" y3="-2.14088021" z3="2.06627645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27520291" y3="-0.83887455" z3="1.71467855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.28221159" y3="-2.31647438" z3="0.7146987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9511333" y3="-2.55021466" z3="7.78081973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.60764502" y3="-0.56520765" z3="6.65391035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.48813389" y3="0.03209925" z3="6.39418602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.10254593" y3="-1.82691828" z3="7.9203796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41547077" y3="0.05145962" z3="11.82745783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02894818" y3="0.27670085" z3="12.81426696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63826695" y3="-1.030957" z3="11.7848863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37471087" y3="0.58595915" z3="11.73679818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52995464" y3="0.44502919" z3="10.69465795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.76578551" y3="1.5269619" z3="10.77449675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48823629" y3="-0.08473888" z3="10.82904659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00010802" y3="0.12397833" z3="9.28745199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30639121" y3="-0.93679269" z3="9.23328551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81250502" y3="0.23492347" z3="8.54659381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14946056" y3="1.01337732" z3="8.85470913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.14483605" y3="1.21950481" z3="9.51725686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.95991527" y3="1.62620104" z3="7.93721752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6135,-1.5512,10.8468;-3.2897,-.6239,10.3444;-3.3241,-1.4794,11.9116;-4.7185,-1.6044,10.799;-2.9761,-2.7686,10.185;-3.2587,-3.6948,10.7262;-1.876,-2.6928,10.2289;-3.3689,-2.9454,8.717;-4.4632,-3.1055,8.6489;-2.8549,-3.8363,8.3141;-1.7933,-1.7015,7.433;-.3148,-.327,5.9344;.47,-.9248,6.4343;.0026,.7379,6.0161;-.304,-.6845,4.4351;.6728,-.395,3.9905;-1.0739,-.0763,3.9204;-.5526,-2.1686,4.1666;-1.5632,-2.429,4.5318;.1434,-2.761,4.788;-.4005,-2.5911,2.7015;-.5115,-3.6896,2.6315;.6285,-2.3663,2.3575;-1.3996,-1.9367,1.7464;-2.4383,-2.1409,2.0663;-1.2752,-.8389,1.7147;-1.2822,-2.3165,.7147;-.9511,-2.5502,7.7808;-1.6076,-.5652,6.6539;-2.4881,.0321,6.3942;-3.1025,-1.8269,7.9204;-.4155,.0515,11.8275;.0289,.2767,12.8143;-.6383,-1.031,11.7849;-1.3747,.586,11.7368;.53,.445,10.6947;.7658,1.527,10.7745;1.4882,-.0847,10.829;.0001,.124,9.2875;-.3064,-.9368,9.2333;.8125,.2349,8.5466;-1.1495,1.0134,8.8547;-2.1448,1.2195,9.5173;-.9599,1.6262,7.9372;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605016785104</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">0.010636853941 0.001562177860 0.025511221909 0.008705451926</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="126">-0.008502130 -0.003605973 -0.000026412 0.000246051 0.000539568 0.000769851 0.001127341 0.001776872 0.001945784 0.002300167 0.002969090 0.003621988 0.004358200 0.004482788 0.005438732 0.006429539 0.006905704 0.008056467 0.009123003 0.009972848 0.011630547 0.012760329 0.014648985 0.019076295 0.021057978 0.023252210 0.025764835 0.027452164 0.031580412 0.033051915 0.034501632 0.036475607 0.036915270 0.040399968 0.042247467 0.045277860 0.046525735 0.047734410 0.051564355 0.052167355 0.053139157 0.054164583 0.055967665 0.058332725 0.059460546 0.062623468 0.067297811 0.068970819 0.071528348 0.072609913 0.074787799 0.077540134 0.077986453 0.079634805 0.082112778 0.083063088 0.090782496 0.099160536 0.100315671 0.103129116 0.106334435 0.109231715 0.113551482 0.115327087 0.116202737 0.129717862 0.135208242 0.137975954 0.139770767 0.141272284 0.147553410 0.157037147 0.163672203 0.168991680 0.172379434 0.178440043 0.180544713 0.189092940 0.196687991 0.207517853 0.212226554 0.221164276 0.237703156 0.251955716 0.253298946 0.292346830 0.310166168 0.342187560 0.398027392 0.417068705 0.431173663 0.476493970 0.508986773 0.545162158 0.590219779 0.613979226 0.634057757 0.661522304 0.737155565 0.742336893 0.751309018 0.755423959 0.770904666 0.778832207 0.785698788 0.789742703 0.791603506 0.797506660 0.805661932 0.814655198 0.821368555 0.839615499 0.847348075 0.850423003 0.856527128 0.864868834 0.892134775 0.900665754 0.904508361 0.906598015 0.916261760 0.918762485 0.933741515 0.974174403 1.471883349 1.547735325</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="-3.62494112" y3="-1.54224231" z3="10.84450714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30119393" y3="-0.61827309" z3="10.3361778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.34089968" y3="-1.46039251" z3="11.91004852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.72946243" y3="-1.59944822" z3="10.79161886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9804196" y3="-2.76294134" z3="10.19565067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26131014" y3="-3.68562239" z3="10.7434911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88081216" y3="-2.68276047" z3="10.24328512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36701507" y3="-2.95379974" z3="8.72779847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.46031097" y3="-3.11959054" z3="8.65652478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.84642056" y3="-3.84477516" z3="8.33337951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79316084" y3="-1.71353201" z3="7.43980955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.316048" y3="-0.33461741" z3="5.93911909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.46870234" y3="-0.93687225" z3="6.43419088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.00358872" y3="0.7287809" z3="6.02734115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30907309" y3="-0.68293995" z3="4.43725786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66434524" y3="-0.38554987" z3="3.99013172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.08410457" y3="-0.07565424" z3="3.9299164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.5509408" y3="-2.16613692" z3="4.16139023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55978646" y3="-2.43249932" z3="4.52490719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.14717719" y3="-2.75803923" z3="4.78067849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.39614006" y3="-2.57961524" z3="2.69429043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49748297" y3="-3.67968667" z3="2.61819011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.63234677" y3="-2.34421487" z3="2.35322761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.39878484" y3="-1.92696321" z3="1.74201074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.43589714" y3="-2.14079067" z3="2.05840267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2804269" y3="-0.83045007" z3="1.7192252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.27419309" y3="-2.29925775" z3="0.70793962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95036214" y3="-2.56157887" z3="7.78776653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.60820834" y3="-0.57187941" z3="6.66147532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.48994574" y3="0.02244493" z3="6.4008338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.10220379" y3="-1.83984087" z3="7.92368042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41448881" y3="0.06333871" z3="11.82521929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03146245" y3="0.29007807" z3="12.81377237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63923834" y3="-1.01933445" z3="11.78868095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37161416" y3="0.59957175" z3="11.73149515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53200341" y3="0.44608158" z3="10.68903988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.7718014" y3="1.52120596" z3="10.74898553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49403552" y3="-0.08940586" z3="10.82085552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00239231" y3="0.11380057" z3="9.28561188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30488989" y3="-0.95358586" z3="9.23176042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81390437" y3="0.21313615" z3="8.54721152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14707268" y3="0.99808459" z3="8.84223005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.14161172" y3="1.20913605" z3="9.51663496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.95166148" y3="1.61601884" z3="7.93660835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6249,-1.5422,10.8445;-3.3012,-.6183,10.3362;-3.3409,-1.4604,11.91;-4.7295,-1.5994,10.7916;-2.9804,-2.7629,10.1957;-3.2613,-3.6856,10.7435;-1.8808,-2.6828,10.2433;-3.367,-2.9538,8.7278;-4.4603,-3.1196,8.6565;-2.8464,-3.8448,8.3334;-1.7932,-1.7135,7.4398;-.316,-.3346,5.9391;.4687,-.9369,6.4342;.0036,.7288,6.0273;-.3091,-.6829,4.4373;.6643,-.3855,3.9901;-1.0841,-.0757,3.9299;-.5509,-2.1661,4.1614;-1.5598,-2.4325,4.5249;.1472,-2.758,4.7807;-.3961,-2.5796,2.6943;-.4975,-3.6797,2.6182;.6323,-2.3442,2.3532;-1.3988,-1.927,1.742;-2.4359,-2.1408,2.0584;-1.2804,-.8305,1.7192;-1.2742,-2.2993,.7079;-.9504,-2.5616,7.7878;-1.6082,-.5719,6.6615;-2.4899,.0224,6.4008;-3.1022,-1.8398,7.9237;-.4145,.0633,11.8252;.0315,.2901,12.8138;-.6392,-1.0193,11.7887;-1.3716,.5996,11.7315;.532,.4461,10.689;.7718,1.5212,10.749;1.494,-.0894,10.8209;.0024,.1138,9.2856;-.3049,-.9536,9.2318;.8139,.2131,8.5472;-1.1471,.9981,8.8422;-2.1416,1.2091,9.5166;-.9517,1.616,7.9366;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604978380632</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">0.011215444361 0.001805264760 0.024048463566 0.008704624126</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="126">-0.008372157 -0.004942459 0.000061508 0.000246134 0.000553146 0.000769655 0.001131337 0.001780025 0.001944762 0.002304779 0.002985784 0.003603759 0.004325163 0.004483243 0.005441186 0.006432684 0.006906909 0.008056591 0.009179579 0.009973271 0.011636862 0.012779052 0.014654553 0.019090002 0.021059375 0.023378453 0.025813684 0.027479184 0.031580198 0.033231163 0.034567501 0.036474096 0.036994809 0.040411543 0.042422240 0.045276603 0.046531811 0.047792491 0.051572206 0.052178681 0.053541232 0.055039422 0.055979495 0.058370691 0.059466144 0.062706893 0.067299140 0.068980603 0.071547295 0.072631908 0.074893031 0.077541395 0.077991958 0.079634662 0.082119487 0.083092925 0.090909178 0.099181857 0.100336489 0.103180831 0.106337512 0.109230677 0.113554265 0.115330350 0.116250996 0.129720215 0.135226003 0.138009343 0.139788249 0.141279952 0.147579833 0.157153019 0.164423632 0.169043017 0.172435170 0.178698702 0.180649117 0.189151249 0.196706826 0.207653353 0.212252746 0.222196526 0.239458909 0.252088490 0.253332884 0.292330623 0.310247056 0.342191152 0.399021122 0.417153209 0.431172110 0.476555866 0.508982012 0.545159995 0.590226057 0.613980788 0.637800818 0.661544615 0.737166230 0.743254038 0.751333237 0.755426781 0.770905254 0.778839319 0.785705561 0.789891010 0.792590522 0.797506606 0.805665437 0.814722342 0.821375730 0.841853276 0.847348113 0.850625347 0.856984422 0.864866115 0.892163339 0.900665891 0.904508713 0.907366618 0.916289157 0.918850794 0.933744618 0.974817461 1.477533322 1.548980201</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="-3.6391228" y3="-1.53667739" z3="10.83889958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31718628" y3="-0.61553176" z3="10.32468345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36155215" y3="-1.44505433" z3="11.90538942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74307605" y3="-1.60029547" z3="10.78012799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98450549" y3="-2.75884406" z3="10.20287237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26301457" y3="-3.67885198" z3="10.75630667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88555938" y3="-2.6719788" z3="10.25636125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36182515" y3="-2.9623923" z3="8.73428631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45374916" y3="-3.13514688" z3="8.65815239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83385282" y3="-3.85277429" z3="8.34874337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78893135" y3="-1.72462208" z3="7.44104312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.3122482" y3="-0.34184462" z3="5.94554178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.4728983" y3="-0.94886833" z3="6.43406945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.01029432" y3="0.7210403" z3="6.03825481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.31233222" y3="-0.68150338" z3="4.4421865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.65911352" y3="-0.38089104" z3="3.99332785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.08998719" y3="-0.07232547" z3="3.9409246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.55300486" y3="-2.16394396" z3="4.15914774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.56192808" y3="-2.43454023" z3="4.52116657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.14627407" y3="-2.7577088" z3="4.77544446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.39691524" y3="-2.5708497" z3="2.69027307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49287887" y3="-3.67123231" z3="2.60969851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.63012394" y3="-2.32852253" z3="2.35006133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.40132393" y3="-1.91701164" z3="1.74122621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.43725596" y3="-2.13280159" z3="2.0570292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28556463" y3="-0.8199858" z3="1.72357591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.27784504" y3="-2.28212242" z3="0.70548026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94827678" y3="-2.57597228" z3="7.78399071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.60163033" y3="-0.58205611" z3="6.67007709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.48240243" y3="0.01712086" z3="6.41536763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.09896501" y3="-1.85203203" z3="7.92508074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41104838" y3="0.0722733" z3="11.8220476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.03421238" y3="0.3105178" z3="12.80547218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.64244968" y3="-1.00497528" z3="11.80109124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3645525" y3="0.61015149" z3="11.71799689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53707934" y3="0.44290727" z3="10.68197352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.77229468" y3="1.53064214" z3="10.74469077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49783081" y3="-0.0869729" z3="10.82050826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.00537147" y3="0.09857267" z3="9.28224921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.3000946" y3="-0.96282724" z3="9.24692745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81780036" y3="0.19735074" z3="8.53988217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14302874" y3="0.98432108" z3="8.83905018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.14267631" y3="1.1914132" z3="9.4925865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9428708" y3="1.60423344" z3="7.92910651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6391,-1.5367,10.8389;-3.3172,-.6155,10.3247;-3.3616,-1.4451,11.9054;-4.7431,-1.6003,10.7801;-2.9845,-2.7588,10.2029;-3.263,-3.6789,10.7563;-1.8856,-2.672,10.2564;-3.3618,-2.9624,8.7343;-4.4537,-3.1351,8.6582;-2.8339,-3.8528,8.3487;-1.7889,-1.7246,7.441;-.3122,-.3418,5.9455;.4729,-.9489,6.4341;.0103,.721,6.0383;-.3123,-.6815,4.4422;.6591,-.3809,3.9933;-1.09,-.0723,3.9409;-.553,-2.1639,4.1591;-1.5619,-2.4345,4.5212;.1463,-2.7577,4.7754;-.3969,-2.5708,2.6903;-.4929,-3.6712,2.6097;.6301,-2.3285,2.3501;-1.4013,-1.917,1.7412;-2.4373,-2.1328,2.057;-1.2856,-.82,1.7236;-1.2778,-2.2821,.7055;-.9483,-2.576,7.784;-1.6016,-.5821,6.6701;-2.4824,.0171,6.4154;-3.099,-1.852,7.9251;-.411,.0723,11.822;.0342,.3105,12.8055;-.6424,-1.005,11.8011;-1.3646,.6102,11.718;.5371,.4429,10.682;.7723,1.5306,10.7447;1.4978,-.087,10.8205;.0054,.0986,9.2822;-.3001,-.9628,9.2469;.8178,.1974,8.5399;-1.143,.9843,8.8391;-2.1427,1.1914,9.4926;-.9429,1.6042,7.9291;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604936060118</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">0.016152313361 0.002210095990 0.024217569718 0.008703506265</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="126">-0.009019711 -0.005900598 0.000012815 0.000261403 0.000555143 0.000770349 0.001162243 0.001778169 0.001943618 0.002307253 0.002982040 0.003593520 0.004333164 0.004481806 0.005440740 0.006432658 0.006929776 0.008057384 0.009183740 0.009975430 0.011637408 0.012776969 0.014659302 0.019089234 0.021062825 0.023377226 0.025807902 0.027524295 0.031580373 0.033440574 0.034723587 0.036486428 0.037555698 0.040444905 0.043442732 0.045279220 0.046537890 0.047873757 0.051574967 0.052188570 0.053755918 0.055580574 0.056376709 0.058500993 0.059510172 0.062702357 0.067299887 0.069014213 0.071551122 0.072639869 0.074923938 0.077544908 0.078059355 0.079641308 0.082116589 0.083114908 0.091247985 0.099203210 0.100368473 0.103201203 0.106392073 0.109237715 0.113560635 0.115330374 0.116251981 0.129720572 0.135247338 0.138025824 0.139822353 0.141430163 0.147581234 0.157313823 0.165230023 0.169110633 0.172489560 0.179106530 0.181326049 0.189184362 0.196739537 0.207864888 0.212248916 0.223209041 0.241845180 0.252162841 0.253498406 0.292322508 0.310329342 0.342203835 0.400491546 0.417172487 0.431181076 0.476551367 0.509336563 0.545231314 0.590315667 0.614082767 0.643241036 0.661570889 0.737180345 0.743432404 0.751332501 0.755441847 0.770907054 0.778840951 0.785745327 0.789920325 0.792942777 0.797506590 0.805674656 0.814751947 0.821385004 0.844274387 0.847352107 0.850754739 0.857074459 0.864865625 0.892192450 0.900667044 0.904510550 0.908377458 0.916343538 0.918981160 0.933745172 0.975329908 1.488144005 1.551462187</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="-3.65710635" y3="-1.53193174" z3="10.8310945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33803388" y3="-0.61244165" z3="10.31175434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38576972" y3="-1.42999263" z3="11.89830132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76028393" y3="-1.60506762" z3="10.7668748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98919836" y3="-2.75384132" z3="10.20819343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26320882" y3="-3.67227867" z3="10.76651599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89116112" y3="-2.65745413" z3="10.26783822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35651907" y3="-2.97126399" z3="8.73910159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44665453" y3="-3.15045764" z3="8.65682613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.82048364" y3="-3.86033905" z3="8.36222099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78402324" y3="-1.73496332" z3="7.44704523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.30707511" y3="-0.34683559" z3="5.9538262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.47793559" y3="-0.95848826" z3="6.43710021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.01957163" y3="0.71391206" z3="6.04966002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.31416485" y3="-0.68073786" z3="4.44961648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.65533725" y3="-0.37920273" z3="3.99760096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.09325413" y3="-0.06878054" z3="3.9540563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.55695988" y3="-2.16180962" z3="4.16210539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.56682559" y3="-2.43138992" z3="4.52135003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.14021928" y3="-2.75873898" z3="4.77722451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.39886796" y3="-2.56339612" z3="2.69224742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49788863" y3="-3.66094355" z3="2.60737234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.62764527" y3="-2.32299472" z3="2.35392008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.40369534" y3="-1.90650752" z3="1.74565709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.4402335" y3="-2.12315426" z3="2.06554617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28786584" y3="-0.80796683" z3="1.72500486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.28576264" y3="-2.27520324" z3="0.71019654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94310677" y3="-2.58663968" z3="7.78510369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5946518" y3="-0.5814031" z3="6.68518877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.47728634" y3="0.0108524" z3="6.42416559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0935966" y3="-1.86447377" z3="7.92400186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41102944" y3="0.07450931" z3="11.81242632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02721269" y3="0.31537286" z3="12.79918496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63214474" y3="-1.00871711" z3="11.78739226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37095578" y3="0.60616151" z3="11.70794952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.54078266" y3="0.45137319" z3="10.67782156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.77315709" y3="1.53097587" z3="10.72922458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50238502" y3="-0.07373661" z3="10.82551838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.01903903" y3="0.09948045" z3="9.27400303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.28191893" y3="-0.96607081" z3="9.23839399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.83181751" y3="0.19517114" z3="8.53902982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13823713" y3="0.96762117" z3="8.81605017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.13818087" y3="1.172325" z3="9.49123021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93732029" y3="1.59885494" z3="7.91743699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6571,-1.5319,10.8311;-3.338,-.6124,10.3118;-3.3858,-1.43,11.8983;-4.7603,-1.6051,10.7669;-2.9892,-2.7538,10.2082;-3.2632,-3.6723,10.7665;-1.8912,-2.6575,10.2678;-3.3565,-2.9713,8.7391;-4.4467,-3.1505,8.6568;-2.8205,-3.8603,8.3622;-1.784,-1.735,7.447;-.3071,-.3468,5.9538;.4779,-.9585,6.4371;.0196,.7139,6.0497;-.3142,-.6807,4.4496;.6553,-.3792,3.9976;-1.0933,-.0688,3.9541;-.557,-2.1618,4.1621;-1.5668,-2.4314,4.5214;.1402,-2.7587,4.7772;-.3989,-2.5634,2.6922;-.4979,-3.6609,2.6074;.6276,-2.323,2.3539;-1.4037,-1.9065,1.7457;-2.4402,-2.1232,2.0655;-1.2879,-.808,1.725;-1.2858,-2.2752,.7102;-.9431,-2.5866,7.7851;-1.5947,-.5814,6.6852;-2.4773,.0109,6.4242;-3.0936,-1.8645,7.924;-.411,.0745,11.8124;.0272,.3154,12.7992;-.6321,-1.0087,11.7874;-1.371,.6062,11.7079;.5408,.4514,10.6778;.7732,1.531,10.7292;1.5024,-.0737,10.8255;.019,.0995,9.274;-.2819,-.9661,9.2384;.8318,.1952,8.539;-1.1382,.9676,8.8161;-2.1382,1.1723,9.4912;-.9373,1.5989,7.9174;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604963814371</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">0.017401590085 0.002299229308 0.028848392714 0.008703700344</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="126">-0.010153940 -0.005441921 0.000051580 0.000284018 0.000579963 0.000771496 0.001214825 0.001777552 0.001946307 0.002311212 0.002989572 0.003601685 0.004319904 0.004502927 0.005441142 0.006498082 0.006927771 0.008060249 0.009216588 0.009992186 0.011639952 0.012785096 0.014657994 0.019090296 0.021068620 0.023530364 0.026084068 0.027534189 0.031581446 0.033676601 0.035052250 0.036509795 0.038660651 0.040491242 0.044189726 0.045425705 0.046536568 0.047860847 0.051596959 0.052192841 0.053738758 0.055537110 0.056460133 0.058594138 0.059522362 0.062757523 0.067302237 0.069133075 0.071555358 0.072647276 0.074924842 0.077546354 0.078263965 0.079665376 0.082140342 0.083115348 0.091699310 0.099217337 0.100405116 0.103231419 0.106497735 0.109266481 0.113594166 0.115330004 0.116300186 0.129721486 0.135276970 0.138024517 0.139994326 0.141815744 0.147580518 0.157336741 0.165570809 0.169154107 0.172554332 0.179287005 0.181655919 0.189216080 0.196917780 0.208502530 0.212441451 0.223685243 0.244632552 0.252350851 0.254202241 0.292318563 0.310442815 0.342203608 0.401572596 0.417172895 0.431206699 0.476561503 0.510069831 0.545329647 0.590499563 0.614269530 0.644645692 0.661588790 0.737201907 0.743432124 0.751339182 0.755445210 0.770907406 0.778841243 0.785765711 0.790757776 0.793118988 0.797515404 0.805716718 0.814753053 0.821401008 0.844815249 0.847355303 0.850764006 0.857171968 0.864887612 0.892216683 0.900672684 0.904510605 0.909086299 0.916553251 0.919096667 0.933748388 0.975857626 1.501985274 1.557245134</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="-3.66983809" y3="-1.53429656" z3="10.82280956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.35356526" y3="-0.61531252" z3="10.3014311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.4051857" y3="-1.4266932" z3="11.89098406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77220649" y3="-1.61457552" z3="10.75289801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99093173" y3="-2.75401201" z3="10.20781689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26212009" y3="-3.67205043" z3="10.76800049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89386446" y3="-2.65048384" z3="10.27296736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34842438" y3="-2.97827981" z3="8.73762604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43758205" y3="-3.16256297" z3="8.65002494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.80668487" y3="-3.86676562" z3="8.3675233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77310443" y3="-1.7408098" z3="7.44760527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.29563643" y3="-0.35081307" z3="5.95839822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.48894899" y3="-0.96551323" z3="6.43893951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.03423341" y3="0.70945157" z3="6.05561211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30856681" y3="-0.68211501" z3="4.45336121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66171616" y3="-0.38634834" z3="3.99970116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.08513354" y3="-0.06430921" z3="3.9609569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.56225258" y3="-2.16059526" z3="4.16345519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.57272844" y3="-2.42489916" z3="4.52444158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.13243794" y3="-2.76341702" z3="4.77626823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4109051" y3="-2.55914241" z3="2.69248781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51100585" y3="-3.65839948" z3="2.60578262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.61645546" y3="-2.31905828" z3="2.35200154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.41528666" y3="-1.89721591" z3="1.74906956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.45165785" y3="-2.11172994" z3="2.06683329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.29561774" y3="-0.8004665" z3="1.73556882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.29363722" y3="-2.261035" z3="0.71148411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93351194" y3="-2.59491542" z3="7.7873974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.58238632" y3="-0.5871021" z3="6.68894805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.4639679" y3="0.01092631" z3="6.43467029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0855591" y3="-1.87347783" z3="7.92062218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4112545" y3="0.09257946" z3="11.8133987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.02703228" y3="0.34014879" z3="12.80055872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63201804" y3="-0.99247895" z3="11.79586198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.36937948" y3="0.6206471" z3="11.6994605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53916164" y3="0.4547705" z3="10.67581055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.76835864" y3="1.53532445" z3="10.71300675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50512473" y3="-0.06695259" z3="10.82585653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.01755163" y3="0.08681462" z3="9.27893654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.27414012" y3="-0.9856814" z3="9.2469223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.83406639" y3="0.19083014" z3="8.53703636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13720924" y3="0.95939562" z3="8.81989499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.14617782" y3="1.15656585" z3="9.46238181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92190885" y3="1.59344129" z3="7.92756033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6698,-1.5343,10.8228;-3.3536,-.6153,10.3014;-3.4052,-1.4267,11.891;-4.7722,-1.6146,10.7529;-2.9909,-2.754,10.2078;-3.2621,-3.6721,10.768;-1.8939,-2.6505,10.273;-3.3484,-2.9783,8.7376;-4.4376,-3.1626,8.65;-2.8067,-3.8668,8.3675;-1.7731,-1.7408,7.4476;-.2956,-.3508,5.9584;.4889,-.9655,6.4389;.0342,.7095,6.0556;-.3086,-.6821,4.4534;.6617,-.3863,3.9997;-1.0851,-.0643,3.961;-.5623,-2.1606,4.1635;-1.5727,-2.4249,4.5244;.1324,-2.7634,4.7763;-.4109,-2.5591,2.6925;-.511,-3.6584,2.6058;.6165,-2.3191,2.352;-1.4153,-1.8972,1.7491;-2.4517,-2.1117,2.0668;-1.2956,-.8005,1.7356;-1.2936,-2.261,.7115;-.9335,-2.5949,7.7874;-1.5824,-.5871,6.6889;-2.464,.0109,6.4347;-3.0856,-1.8735,7.9206;-.4113,.0926,11.8134;.027,.3401,12.8006;-.632,-.9925,11.7959;-1.3694,.6206,11.6995;.5392,.4548,10.6758;.7684,1.5353,10.713;1.5051,-.067,10.8259;.0176,.0868,9.2789;-.2741,-.9857,9.2469;.8341,.1908,8.537;-1.1372,.9594,8.8199;-2.1462,1.1566,9.4624;-.9219,1.5934,7.9276;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604940321512</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">0.014792492645 0.002305913529 0.022199511106 0.008704162890</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="126">-0.011419478 -0.006309694 0.000133660 0.000317747 0.000596521 0.000772682 0.001182382 0.001781180 0.001945188 0.002317987 0.002998150 0.003602120 0.004326362 0.004519717 0.005441747 0.006580546 0.006940192 0.008060554 0.009253028 0.010019445 0.011641539 0.012788767 0.014699698 0.019092304 0.021075447 0.023881091 0.026670097 0.027537759 0.031584246 0.033887767 0.035790463 0.036528293 0.039624411 0.040630164 0.044168073 0.045630097 0.046559555 0.048428370 0.051713939 0.052197486 0.054081569 0.055988788 0.056981697 0.058588074 0.059521928 0.063651696 0.067301784 0.069210171 0.071574806 0.072649672 0.074982063 0.077548153 0.078439443 0.079703334 0.082205975 0.083216185 0.092017011 0.099238551 0.100462456 0.103245672 0.106544550 0.109298233 0.113598273 0.115329933 0.116434067 0.129725278 0.135283914 0.138044668 0.140411084 0.142065195 0.147637663 0.157363411 0.165548515 0.169161170 0.172602943 0.179346993 0.181629194 0.189214594 0.197131380 0.209397954 0.213939458 0.223762091 0.246870499 0.252334440 0.255192175 0.292340073 0.310580343 0.342203909 0.401609392 0.417173120 0.431204458 0.476567245 0.510740611 0.545336275 0.590522512 0.614281977 0.645832957 0.661592006 0.737214077 0.743440529 0.751339560 0.755447778 0.770910944 0.778841235 0.785798234 0.791318123 0.796700108 0.797676663 0.805797243 0.814850685 0.821403084 0.844823956 0.847354737 0.850792379 0.857312430 0.864918692 0.892225693 0.900675844 0.904548450 0.909526985 0.916721088 0.919101436 0.933752675 0.975838761 1.512626089 1.564215125</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="-3.68350098" y3="-1.53544967" z3="10.81386752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36958817" y3="-0.61628227" z3="10.2910776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42511334" y3="-1.42249754" z3="11.88307812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78484606" y3="-1.62412457" z3="10.73830972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99254352" y3="-2.75214532" z3="10.20649783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25972558" y3="-3.67068019" z3="10.76773916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8966072" y3="-2.64012311" z3="10.27724408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34046476" y3="-2.98352021" z3="8.73519249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42796196" y3="-3.17345794" z3="8.64093909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.79102028" y3="-3.8693763" z3="8.370312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76522744" y3="-1.74436329" z3="7.44919921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2845048" y3="-0.35325366" z3="5.96416439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.49873495" y3="-0.97157298" z3="6.44065763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.04971395" y3="0.70480211" z3="6.0613712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.30373047" y3="-0.68285858" z3="4.45926966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66786176" y3="-0.39289011" z3="4.00337798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0769043" y3="-0.0591973" z3="3.96917111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.56861174" y3="-2.15991815" z3="4.16920151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5808321" y3="-2.41639183" z3="4.53137134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.12204633" y3="-2.76821681" z3="4.78095046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.42234158" y3="-2.55996187" z3="2.69773463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52754323" y3="-3.65901756" z3="2.61106392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.60559224" y3="-2.3235962" z3="2.35553329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42448699" y3="-1.8908618" z3="1.75699627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46109714" y3="-2.09411558" z3="2.07859144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2944018" y3="-0.79588875" z3="1.74197062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3119977" y3="-2.25430138" z3="0.71957378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92676897" y3="-2.59926955" z3="7.78256635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.56948318" y3="-0.58310107" z3="6.70163838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.45167898" y3="0.01012139" z3="6.4402204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07731592" y3="-1.87883739" z3="7.91687244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41324982" y3="0.08748799" z3="11.80481034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01741948" y3="0.3448109" z3="12.78960202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62620811" y3="-0.99247665" z3="11.79522864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.37590205" y3="0.61042714" z3="11.68719296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.54117469" y3="0.46255173" z3="10.66928856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.75652822" y3="1.5556783" z3="10.72075996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50922515" y3="-0.04876057" z3="10.82698316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02984638" y3="0.0880675" z3="9.26902507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25958526" y3="-0.97524667" z3="9.25324494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.84520205" y3="0.18315895" z3="8.53842133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13357896" y3="0.94490207" z3="8.80256314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.14552622" y3="1.13436634" z3="9.46168911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91935839" y3="1.59476777" z3="7.91780999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6835,-1.5354,10.8139;-3.3696,-.6163,10.2911;-3.4251,-1.4225,11.8831;-4.7848,-1.6241,10.7383;-2.9925,-2.7521,10.2065;-3.2597,-3.6707,10.7677;-1.8966,-2.6401,10.2772;-3.3405,-2.9835,8.7352;-4.428,-3.1735,8.6409;-2.791,-3.8694,8.3703;-1.7652,-1.7444,7.4492;-.2845,-.3533,5.9642;.4987,-.9716,6.4407;.0497,.7048,6.0614;-.3037,-.6829,4.4593;.6679,-.3929,4.0034;-1.0769,-.0592,3.9692;-.5686,-2.1599,4.1692;-1.5808,-2.4164,4.5314;.122,-2.7682,4.781;-.4223,-2.56,2.6977;-.5275,-3.659,2.6111;.6056,-2.3236,2.3555;-1.4245,-1.8909,1.757;-2.4611,-2.0941,2.0786;-1.2944,-.7959,1.742;-1.312,-2.2543,.7196;-.9268,-2.5993,7.7826;-1.5695,-.5831,6.7016;-2.4517,.0101,6.4402;-3.0773,-1.8788,7.9169;-.4132,.0875,11.8048;.0174,.3448,12.7896;-.6262,-.9925,11.7952;-1.3759,.6104,11.6872;.5412,.4626,10.6693;.7565,1.5557,10.7208;1.5092,-.0488,10.827;.0298,.0881,9.269;-.2596,-.9752,9.2532;.8452,.1832,8.5384;-1.1336,.9449,8.8026;-2.1455,1.1344,9.4617;-.9194,1.5948,7.9178;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604977371556</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">0.011743830517 0.002082129572 0.030169749849 0.008704471175</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="126">-0.012011448 -0.005756492 0.000126886 0.000327369 0.000632719 0.000793318 0.001210032 0.001778910 0.001950297 0.002320371 0.002997260 0.003602968 0.004332315 0.004522177 0.005441877 0.006578446 0.006963903 0.008061236 0.009255530 0.010019227 0.011645248 0.012790144 0.014728900 0.019129118 0.021077698 0.023933550 0.026759351 0.027586151 0.031585652 0.033971454 0.036501125 0.036544667 0.039637501 0.040628633 0.044335251 0.045615526 0.046563044 0.048750977 0.051752008 0.052198880 0.054306056 0.056012402 0.058224731 0.059107937 0.059585015 0.066624926 0.067301247 0.069229843 0.071574648 0.072656180 0.075000707 0.077550030 0.078468874 0.079705086 0.082239617 0.083430348 0.091994232 0.099260780 0.100501356 0.103486346 0.106546328 0.109296194 0.113630798 0.115329678 0.116596717 0.129739705 0.135283797 0.138062290 0.141026718 0.142099667 0.147796935 0.157807279 0.165686829 0.169161566 0.172612200 0.179342318 0.181972932 0.189214414 0.197206522 0.209715120 0.216342705 0.223792506 0.247299833 0.252333569 0.256119600 0.292382367 0.310622778 0.342217052 0.402087350 0.417175707 0.431235667 0.476623080 0.510977031 0.545374096 0.590633119 0.614462717 0.653500830 0.661598927 0.737216544 0.743471790 0.751417185 0.755466193 0.770913805 0.778843385 0.786063087 0.791336003 0.797463681 0.803138897 0.806104884 0.815032936 0.821403240 0.845666544 0.847357398 0.850864913 0.857655738 0.864945956 0.892229050 0.900675770 0.904592353 0.909836652 0.916923283 0.919107426 0.933753520 0.975850463 1.516296701 1.571087984</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="-3.69083405" y3="-1.54092529" z3="10.80543008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37797714" y3="-0.62063729" z3="10.28409529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43844646" y3="-1.4272945" z3="11.87584366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7912892" y3="-1.63483166" z3="10.72461799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99156787" y3="-2.75422029" z3="10.20120065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25648529" y3="-3.67403435" z3="10.7612705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89667345" y3="-2.63664429" z3="10.27709873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33139822" y3="-2.98670474" z3="8.72849874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4177324" y3="-3.1791266" z3="8.62850852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77793808" y3="-3.87052589" z3="8.36577898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75262057" y3="-1.74673423" z3="7.44822778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26990704" y3="-0.3548301" z3="5.96706066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51296837" y3="-0.9753539" z3="6.44227442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.06712672" y3="0.70285081" z3="6.06329243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2947731" y3="-0.68517775" z3="4.4624882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67864486" y3="-0.40572851" z3="4.00491998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06257364" y3="-0.05406657" z3="3.97312856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.57446694" y3="-2.15979934" z3="4.17332439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.58882147" y3="-2.40672779" z3="4.5373554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.11156342" y3="-2.77473986" z3="4.78366366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.43575342" y3="-2.5614798" z3="2.70161909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.55771298" y3="-3.65625112" z3="2.61571873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59200776" y3="-2.34137841" z3="2.35524428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43503587" y3="-1.88305558" z3="1.76463534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47326571" y3="-2.08317715" z3="2.09067631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.30062416" y3="-0.78600903" z3="1.74842096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33033042" y3="-2.24854811" z3="0.72686393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91665362" y3="-2.60521768" z3="7.77710985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.55386199" y3="-0.58092537" z3="6.70671924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.43573644" y3="0.01228356" z3="6.44410583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06578759" y3="-1.88117703" z3="7.912515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41750184" y3="0.10105864" z3="11.8076003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00648603" y3="0.36600704" z3="12.79466098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.61740489" y3="-0.9900837" z3="11.79581487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38555148" y3="0.60803116" z3="11.68009663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53756607" y3="0.47356394" z3="10.67614235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.74965475" y3="1.55452511" z3="10.70556554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50933819" y3="-0.03130575" z3="10.83794508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02924231" y3="0.08779227" z3="9.27733582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25609313" y3="-0.98534868" z3="9.25643461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.84828518" y3="0.18811491" z3="8.54179186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13356875" y3="0.93969072" z3="8.80070942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15058027" y3="1.12253239" z3="9.44566363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91227796" y3="1.59499714" z3="7.92090455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6908,-1.5409,10.8054;-3.378,-.6206,10.2841;-3.4384,-1.4273,11.8758;-4.7913,-1.6348,10.7246;-2.9916,-2.7542,10.2012;-3.2565,-3.674,10.7613;-1.8967,-2.6366,10.2771;-3.3314,-2.9867,8.7285;-4.4177,-3.1791,8.6285;-2.7779,-3.8705,8.3658;-1.7526,-1.7467,7.4482;-.2699,-.3548,5.9671;.513,-.9754,6.4423;.0671,.7029,6.0633;-.2948,-.6852,4.4625;.6786,-.4057,4.0049;-1.0626,-.0541,3.9731;-.5745,-2.1598,4.1733;-1.5888,-2.4067,4.5374;.1116,-2.7747,4.7837;-.4358,-2.5615,2.7016;-.5577,-3.6563,2.6157;.592,-2.3414,2.3552;-1.435,-1.8831,1.7646;-2.4733,-2.0832,2.0907;-1.3006,-.786,1.7484;-1.3303,-2.2485,.7269;-.9167,-2.6052,7.7771;-1.5539,-.5809,6.7067;-2.4357,.0123,6.4441;-3.0658,-1.8812,7.9125;-.4175,.1011,11.8076;.0065,.366,12.7947;-.6174,-.9901,11.7958;-1.3856,.608,11.6801;.5376,.4736,10.6761;.7497,1.5545,10.7056;1.5093,-.0313,10.8379;.0292,.0878,9.2773;-.2561,-.9853,9.2564;.8483,.1881,8.5418;-1.1336,.9397,8.8007;-2.1506,1.1225,9.4457;-.9123,1.595,7.9209;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605048788925</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">0.008337996217 0.001474574903 0.027756773205 0.008704755662</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="126">-0.012091973 -0.003812596 0.000130320 0.000320175 0.000629968 0.000792753 0.001192146 0.001778521 0.001951217 0.002321421 0.003000026 0.003603814 0.004332899 0.004522555 0.005442014 0.006604496 0.006962885 0.008061486 0.009278739 0.010019555 0.011662857 0.012811022 0.014751190 0.019224803 0.021079782 0.023939610 0.026761349 0.027591646 0.031585653 0.034000089 0.036528279 0.036745492 0.039766601 0.040667883 0.044466384 0.045682951 0.046563019 0.048759258 0.051751692 0.052204883 0.054327480 0.056016906 0.058295602 0.059338186 0.059791213 0.067300330 0.068652596 0.069233271 0.071591682 0.072678089 0.075006444 0.077551455 0.078467674 0.079705937 0.082254627 0.083622220 0.092070193 0.099265050 0.100505577 0.104008711 0.106556738 0.109304003 0.113761710 0.115329629 0.116731880 0.129769108 0.135284138 0.138062255 0.141263345 0.142109971 0.147921296 0.158876763 0.166347906 0.169183939 0.172619551 0.179357270 0.182390066 0.189216231 0.197204784 0.209759924 0.218054643 0.223847469 0.247465184 0.252332519 0.256179667 0.292445148 0.310627412 0.342218205 0.403586690 0.417181857 0.431253267 0.476779020 0.510972634 0.545510689 0.591112524 0.614988736 0.658756790 0.661634267 0.737218367 0.744295539 0.751686550 0.755483119 0.770917257 0.778843472 0.786516781 0.792258415 0.797477960 0.805543284 0.809760235 0.815182217 0.821404551 0.847075728 0.847475473 0.850895457 0.858363908 0.864951112 0.892232501 0.900687564 0.904630482 0.910144426 0.916921733 0.919109085 0.933753930 0.975879580 1.516369135 1.572302827</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="-3.69323719" y3="-1.54752948" z3="10.79763625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38045782" y3="-0.62558065" z3="10.27904817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44529644" y3="-1.43565973" z3="11.86932155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79301474" y3="-1.64386215" z3="10.71230723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9887098" y3="-2.75769328" z3="10.19361002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25368584" y3="-3.67927218" z3="10.75054326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89461295" y3="-2.63771283" z3="10.27413617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32242472" y3="-2.98791799" z3="8.71916432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40816346" y3="-3.18132941" z3="8.6146207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76653275" y3="-3.87056998" z3="8.35721027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74099345" y3="-1.74474097" z3="7.44562386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.25532608" y3="-0.35417959" z3="5.96706552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52576361" y3="-0.97614953" z3="6.44305991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08478784" y3="0.70231377" z3="6.06148057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28366279" y3="-0.68814249" z3="4.46313204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69247662" y3="-0.41975835" z3="4.0038434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.045451" y3="-0.04999503" z3="3.97322134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58120265" y3="-2.16020259" z3="4.17898786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5964587" y3="-2.39345831" z3="4.54794437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09970229" y3="-2.78162232" z3="4.78864974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45464171" y3="-2.56714877" z3="2.70789146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58546975" y3="-3.6643359" z3="2.62549906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5762526" y3="-2.35555996" z3="2.35674553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44998916" y3="-1.87900814" z3="1.7733562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48792289" y3="-2.06292279" z3="2.10235309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.29872632" y3="-0.78703302" z3="1.75661015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34999256" y3="-2.24682166" z3="0.7351344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90430935" y3="-2.60289136" z3="7.77795971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54034196" y3="-0.57633571" z3="6.7069688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.4219659" y3="0.01615092" z3="6.44127626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05497047" y3="-1.88077104" z3="7.90520525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42330624" y3="0.10249765" z3="11.80493454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00517557" y3="0.37478545" z3="12.7939196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.61492361" y3="-0.98308777" z3="11.80391891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39542245" y3="0.60558604" z3="11.67512143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53194424" y3="0.4794703" z3="10.67352214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.73383751" y3="1.57292536" z3="10.71347232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50594994" y3="-0.0164194" z3="10.84254089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03136438" y3="0.0860763" z3="9.27534344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24736917" y3="-0.98346107" z3="9.26652108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.85097782" y3="0.1859967" z3="8.54409381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13542455" y3="0.93461784" z3="8.79733156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1565922" y3="1.11199658" z3="9.44088735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9056444" y3="1.59814387" z3="7.93115933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6932,-1.5475,10.7976;-3.3805,-.6256,10.279;-3.4453,-1.4357,11.8693;-4.793,-1.6439,10.7123;-2.9887,-2.7577,10.1936;-3.2537,-3.6793,10.7505;-1.8946,-2.6377,10.2741;-3.3224,-2.9879,8.7192;-4.4082,-3.1813,8.6146;-2.7665,-3.8706,8.3572;-1.741,-1.7447,7.4456;-.2553,-.3542,5.9671;.5258,-.9761,6.4431;.0848,.7023,6.0615;-.2837,-.6881,4.4631;.6925,-.4198,4.0038;-1.0455,-.05,3.9732;-.5812,-2.1602,4.179;-1.5965,-2.3935,4.5479;.0997,-2.7816,4.7886;-.4546,-2.5671,2.7079;-.5855,-3.6643,2.6255;.5763,-2.3556,2.3567;-1.45,-1.879,1.7734;-2.4879,-2.0629,2.1024;-1.2987,-.787,1.7566;-1.35,-2.2468,.7351;-.9043,-2.6029,7.778;-1.5403,-.5763,6.707;-2.422,.0162,6.4413;-3.055,-1.8808,7.9052;-.4233,.1025,11.8049;-.0052,.3748,12.7939;-.6149,-.9831,11.8039;-1.3954,.6056,11.6751;.5319,.4795,10.6735;.7338,1.5729,10.7135;1.5059,-.0164,10.8425;.0314,.0861,9.2753;-.2474,-.9835,9.2665;.851,.186,8.5441;-1.1354,.9346,8.7973;-2.1566,1.112,9.4409;-.9056,1.5981,7.9312;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605110100408</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">0.005937250986 0.001153240801 0.032326063844 0.008704234604</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="126">-0.012080759 -0.002636685 0.000118207 0.000300608 0.000608529 0.000791320 0.001174909 0.001780612 0.001948862 0.002321533 0.003007605 0.003604945 0.004342383 0.004525899 0.005442701 0.006639729 0.006972943 0.008064256 0.009340044 0.010021712 0.011688928 0.012848557 0.014755625 0.019286462 0.021085966 0.024046480 0.026835711 0.027594470 0.031597504 0.033996756 0.036544181 0.036794517 0.040089204 0.040878636 0.044456745 0.045784334 0.046564307 0.048794082 0.051765424 0.052209760 0.054349472 0.056025485 0.058292510 0.059333836 0.059823949 0.067299918 0.069021733 0.069384326 0.071675530 0.072688206 0.075011541 0.077552429 0.078495850 0.079715093 0.082254025 0.083678698 0.092245280 0.099265032 0.100506768 0.104478408 0.106583627 0.109334161 0.113863634 0.115330472 0.116871052 0.129807078 0.135285078 0.138064044 0.141260699 0.142138842 0.147933814 0.160031389 0.167246213 0.169228059 0.172640668 0.179378342 0.182576626 0.189216253 0.197224062 0.209818952 0.219172033 0.223877502 0.247461385 0.252331599 0.256252500 0.292469966 0.310630163 0.342217835 0.404865495 0.417191031 0.431256270 0.477053782 0.511005015 0.545526992 0.591371860 0.615430291 0.659324340 0.661647687 0.737226759 0.745223581 0.752070518 0.755483751 0.770924206 0.778843543 0.786679528 0.793559838 0.797485863 0.805673264 0.813377244 0.815485664 0.821414316 0.847303273 0.848516045 0.850900192 0.858919508 0.864958446 0.892232702 0.900710846 0.904640281 0.910168280 0.916963196 0.919118220 0.933754331 0.976081576 1.516394990 1.573487310</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="-3.69162425" y3="-1.55498806" z3="10.79164554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3789013" y3="-0.63105588" z3="10.27624768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44503666" y3="-1.44642003" z3="11.86395663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79118791" y3="-1.65270894" z3="10.70436545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98476436" y3="-2.76232702" z3="10.1846736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24981199" y3="-3.68658925" z3="10.7373898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8907961" y3="-2.64142417" z3="10.26799635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31518807" y3="-2.98655132" z3="8.70878914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40064413" y3="-3.17916213" z3="8.60060994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75826704" y3="-3.86726" z3="8.34397377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73091784" y3="-1.74088195" z3="7.44268291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24181173" y3="-0.35282711" z3="5.96817237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53835827" y3="-0.97578572" z3="6.44398402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10107026" y3="0.70326091" z3="6.05854066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27410521" y3="-0.69116578" z3="4.46503252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70492791" y3="-0.43491672" z3="4.00539702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02846057" y3="-0.04659104" z3="3.97221906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.58658178" y3="-2.16113093" z3="4.1845229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60356897" y3="-2.38404318" z3="4.55689909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08988007" y3="-2.78808218" z3="4.793216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46903373" y3="-2.5739003" z3="2.7138837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.61779582" y3="-3.66721872" z3="2.63528638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56193752" y3="-2.37993327" z3="2.35787195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45920963" y3="-1.87642354" z3="1.78081171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49880816" y3="-2.04632368" z3="2.11658347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.29599346" y3="-0.78426729" z3="1.75663633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37276057" y3="-2.25068758" z3="0.74448959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89862186" y3="-2.60359293" z3="7.76526472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52495627" y3="-0.56946046" z3="6.71267211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40615632" y3="0.02208646" z3="6.44304323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04493667" y3="-1.87541169" z3="7.90146511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4298487" y3="0.10587488" z3="11.81145662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01925812" y3="0.38796046" z3="12.79727566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.61152682" y3="-0.98652383" z3="11.80688071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40384573" y3="0.59671889" z3="11.67050014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52623257" y3="0.49049688" z3="10.68252623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.71818175" y3="1.57889973" z3="10.71276857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50665336" y3="0.00074484" z3="10.84874384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03084034" y3="0.09189342" z3="9.2822531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24832607" y3="-0.98007565" z3="9.27134181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.85210183" y3="0.18930468" z3="8.5535309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13563937" y3="0.93303253" z3="8.79659319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1603894" y3="1.10402183" z3="9.43505741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.90977103" y3="1.60282215" z3="7.92512193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6916,-1.555,10.7916;-3.3789,-.6311,10.2762;-3.445,-1.4464,11.864;-4.7912,-1.6527,10.7044;-2.9848,-2.7623,10.1847;-3.2498,-3.6866,10.7374;-1.8908,-2.6414,10.268;-3.3152,-2.9866,8.7088;-4.4006,-3.1792,8.6006;-2.7583,-3.8673,8.344;-1.7309,-1.7409,7.4427;-.2418,-.3528,5.9682;.5384,-.9758,6.444;.1011,.7033,6.0585;-.2741,-.6912,4.465;.7049,-.4349,4.0054;-1.0285,-.0466,3.9722;-.5866,-2.1611,4.1845;-1.6036,-2.384,4.5569;.0899,-2.7881,4.7932;-.469,-2.5739,2.7139;-.6178,-3.6672,2.6353;.5619,-2.3799,2.3579;-1.4592,-1.8764,1.7808;-2.4988,-2.0463,2.1166;-1.296,-.7843,1.7566;-1.3728,-2.2507,.7445;-.8986,-2.6036,7.7653;-1.525,-.5695,6.7127;-2.4062,.0221,6.443;-3.0449,-1.8754,7.9015;-.4298,.1059,11.8115;-.0193,.388,12.7973;-.6115,-.9865,11.8069;-1.4038,.5967,11.6705;.5262,.4905,10.6825;.7182,1.5789,10.7128;1.5067,.0007,10.8487;.0308,.0919,9.2823;-.2483,-.9801,9.2713;.8521,.1893,8.5535;-1.1356,.933,8.7966;-2.1604,1.104,9.4351;-.9098,1.6028,7.9251;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605146613041</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">0.006319696922 0.001125392535 0.029553950638 0.008703785162</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="126">-0.012079122 -0.002531331 0.000101476 0.000293076 0.000602747 0.000822780 0.001180715 0.001782661 0.001948444 0.002330441 0.003007200 0.003614996 0.004375188 0.004527761 0.005444568 0.006661639 0.006991422 0.008066601 0.009454581 0.010022227 0.011731301 0.012917221 0.014757829 0.019303223 0.021092497 0.024152030 0.026892392 0.027597286 0.031626606 0.034004983 0.036556175 0.036790450 0.040266531 0.041237039 0.044746210 0.045854306 0.046572193 0.048922876 0.051794560 0.052214340 0.054457934 0.056024582 0.058295781 0.059340040 0.059833667 0.067300241 0.069002780 0.069398125 0.071726588 0.072692529 0.075014535 0.077553579 0.078507286 0.079724731 0.082253784 0.083696996 0.092318892 0.099268152 0.100512282 0.104913736 0.106601807 0.109356397 0.113900552 0.115331686 0.116986184 0.129832530 0.135293386 0.138071289 0.141329845 0.142165196 0.147935018 0.161031352 0.168248449 0.169379476 0.172727358 0.179413432 0.182622149 0.189218404 0.197252341 0.209862389 0.220046378 0.223907522 0.247508270 0.252364457 0.256246970 0.292477342 0.310634868 0.342218310 0.405752036 0.417253062 0.431267350 0.477202074 0.511064724 0.545527605 0.591423275 0.615557568 0.659490249 0.661647403 0.737254279 0.746286663 0.752312844 0.755507559 0.770925906 0.778853268 0.786683007 0.794714261 0.797493921 0.805691652 0.814774818 0.817534166 0.821446002 0.847317514 0.849286602 0.850940656 0.859240321 0.864965212 0.892235014 0.900717580 0.904674452 0.910180035 0.917650447 0.919170249 0.933755490 0.976459979 1.516457094 1.573966375</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="-3.68421168" y3="-1.56378809" z3="10.78755361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37123582" y3="-0.6380767" z3="10.27539682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43657086" y3="-1.46022913" z3="11.86003226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78376518" y3="-1.65994626" z3="10.70112888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97940173" y3="-2.76911649" z3="10.1748834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24664669" y3="-3.69561759" z3="10.7225512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88552201" y3="-2.65101423" z3="10.25918377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30963297" y3="-2.98528815" z3="8.6978242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39535528" y3="-3.17423711" z3="8.58802132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75504631" y3="-3.86560635" z3="8.32896104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72149508" y3="-1.73639195" z3="7.44092546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22930634" y3="-0.35041733" z3="5.96686707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54930021" y3="-0.97474456" z3="6.44390886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11676582" y3="0.70450871" z3="6.0549476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26490846" y3="-0.69323417" z3="4.46463178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71598535" y3="-0.44703338" z3="4.00321464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01416328" y3="-0.04341349" z3="3.97072457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59196637" y3="-2.16108121" z3="4.18989247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.60944193" y3="-2.37225589" z3="4.56629967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08025977" y3="-2.79256206" z3="4.79867354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.48479794" y3="-2.58037201" z3="2.72034315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.64734977" y3="-3.67288908" z3="2.64685182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54790735" y3="-2.40088428" z3="2.35994211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46978153" y3="-1.87382564" z3="1.78849613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50960192" y3="-2.02757394" z3="2.13064359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.29076966" y3="-0.78497207" z3="1.7580398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39264966" y3="-2.25506011" z3="0.75347385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88822752" y3="-2.59902101" z3="7.76832775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51354667" y3="-0.56080687" z3="6.71225228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39413054" y3="0.02982659" z3="6.43955494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03614913" y3="-1.87148209" z3="7.89451086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43921778" y3="0.11312335" z3="11.80846547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.03330387" y3="0.39800282" z3="12.800874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.6121756" y3="-0.97700217" z3="11.81332388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.41928464" y3="0.59805239" z3="11.66751062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51817504" y3="0.49553496" z3="10.68234629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.70816795" y3="1.58805868" z3="10.71513207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49506584" y3="0.0134311" z3="10.8626126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02817831" y3="0.08883299" z3="9.28379427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24586519" y3="-0.98234657" z3="9.2808558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8529702" y3="0.19044783" z3="8.55575049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13902922" y3="0.92858715" z3="8.79064571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16811105" y3="1.09782342" z3="9.42528738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89847594" y3="1.60344733" z3="7.93771581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6842,-1.5638,10.7876;-3.3712,-.6381,10.2754;-3.4366,-1.4602,11.86;-4.7838,-1.6599,10.7011;-2.9794,-2.7691,10.1749;-3.2466,-3.6956,10.7226;-1.8855,-2.651,10.2592;-3.3096,-2.9853,8.6978;-4.3954,-3.1742,8.588;-2.755,-3.8656,8.329;-1.7215,-1.7364,7.4409;-.2293,-.3504,5.9669;.5493,-.9747,6.4439;.1168,.7045,6.0549;-.2649,-.6932,4.4646;.716,-.447,4.0032;-1.0142,-.0434,3.9707;-.592,-2.1611,4.1899;-1.6094,-2.3723,4.5663;.0803,-2.7926,4.7987;-.4848,-2.5804,2.7203;-.6473,-3.6729,2.6469;.5479,-2.4009,2.3599;-1.4698,-1.8738,1.7885;-2.5096,-2.0276,2.1306;-1.2908,-.785,1.758;-1.3926,-2.2551,.7535;-.8882,-2.599,7.7683;-1.5135,-.5608,6.7123;-2.3941,.0298,6.4396;-3.0361,-1.8715,7.8945;-.4392,.1131,11.8085;-.0333,.398,12.8009;-.6122,-.977,11.8133;-1.4193,.5981,11.6675;.5182,.4955,10.6823;.7082,1.5881,10.7151;1.4951,.0134,10.8626;.0282,.0888,9.2838;-.2459,-.9823,9.2809;.853,.1904,8.5558;-1.139,.9286,8.7906;-2.1681,1.0978,9.4253;-.8985,1.6034,7.9377;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605169786137</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">0.005313625940 0.001140743640 0.025395638600 0.008702798081</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="126">-0.012035848 -0.002551501 0.000093637 0.000299631 0.000647122 0.000826892 0.001221144 0.001793512 0.001948280 0.002325421 0.003010421 0.003617530 0.004379808 0.004533819 0.005446984 0.006666177 0.007002289 0.008067693 0.009530165 0.010032922 0.011739452 0.012970735 0.014757840 0.019303149 0.021094485 0.024191857 0.026902083 0.027599845 0.031664216 0.034032232 0.036562956 0.036804147 0.040310075 0.041357909 0.045380591 0.045967079 0.046580345 0.049106586 0.051827559 0.052214499 0.054620554 0.056030605 0.058311666 0.059353157 0.059841866 0.067301148 0.069181841 0.069408631 0.071758033 0.072693217 0.075066967 0.077556182 0.078509292 0.079723647 0.082256188 0.083741068 0.092332558 0.099279163 0.100520734 0.105265074 0.106616617 0.109378018 0.113907400 0.115334916 0.117095406 0.129852952 0.135313555 0.138072900 0.141602117 0.142165421 0.147964007 0.161624648 0.168865987 0.170026117 0.172830059 0.179435400 0.182620981 0.189220214 0.197265802 0.209931509 0.220879496 0.223956609 0.247547200 0.252368443 0.256249580 0.292486504 0.310635717 0.342231581 0.406456030 0.417338704 0.431283831 0.477331269 0.511424433 0.545566634 0.591422323 0.615583122 0.660603745 0.661706496 0.737290017 0.746630864 0.752385931 0.755554523 0.770927295 0.778858204 0.786700349 0.795422597 0.797497733 0.805694609 0.814891963 0.819955379 0.821574798 0.847321865 0.849816023 0.851034426 0.859468524 0.864990612 0.892287144 0.900717703 0.904752254 0.910388123 0.918694201 0.919389996 0.933757301 0.977181859 1.516456660 1.574921773</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="-3.67458577" y3="-1.57167093" z3="10.78407672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.35964008" y3="-0.64487523" z3="10.27505743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42492658" y3="-1.47371835" z3="11.85665806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77451666" y3="-1.66446604" z3="10.69920152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97427955" y3="-2.77623677" z3="10.1647913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24434903" y3="-3.70479424" z3="10.70752417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87993593" y3="-2.66240139" z3="10.24928572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30608185" y3="-2.98332998" z3="8.6868553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39260275" y3="-3.16702341" z3="8.57641091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75543945" y3="-3.86408235" z3="8.31305404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71336587" y3="-1.73276513" z3="7.43786823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21683858" y3="-0.34863558" z3="5.96921117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56148502" y3="-0.97442599" z3="6.44483697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.13273228" y3="0.70576398" z3="6.05318133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25922161" y3="-0.69551716" z3="4.46769827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.72253849" y3="-0.45799925" z3="4.00371702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00450235" y3="-0.04143481" z3="3.97305527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.59808037" y3="-2.16157875" z3="4.1969257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61611143" y3="-2.36442614" z3="4.57687362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07103748" y3="-2.79704193" z3="4.80492042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.49921718" y3="-2.58542924" z3="2.72815834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.67274541" y3="-3.6767551" z3="2.65798498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53452746" y3="-2.41680939" z3="2.3644194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47853835" y3="-1.87079241" z3="1.79640831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51952895" y3="-2.00698695" z3="2.14233219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28370933" y3="-0.78496298" z3="1.75996102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40952922" y3="-2.25867909" z3="0.76298042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88531815" y3="-2.60090821" z3="7.75554416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49869213" y3="-0.55340554" z3="6.72039191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37840995" y3="0.03798739" z3="6.44503685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02847075" y3="-1.86609028" z3="7.88962913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45025982" y3="0.11957229" z3="11.81387772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05087967" y3="0.41816466" z3="12.7986449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.61867294" y3="-0.97410744" z3="11.81955446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42906502" y3="0.59796874" z3="11.65996281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50976342" y3="0.50494758" z3="10.68820672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.68909038" y3="1.59804669" z3="10.7139263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49502077" y3="0.02711834" z3="10.86590696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02909362" y3="0.08940727" z3="9.28743031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24335552" y3="-0.9844068" z3="9.28652019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.85498007" y3="0.18250976" z3="8.56526077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1382764" y3="0.92206179" z3="8.78578971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17284488" y3="1.08540496" z3="9.41237838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89663923" y3="1.60619073" z3="7.93086372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6746,-1.5717,10.7841;-3.3596,-.6449,10.2751;-3.4249,-1.4737,11.8567;-4.7745,-1.6645,10.6992;-2.9743,-2.7762,10.1648;-3.2443,-3.7048,10.7075;-1.8799,-2.6624,10.2493;-3.3061,-2.9833,8.6869;-4.3926,-3.167,8.5764;-2.7554,-3.8641,8.3131;-1.7134,-1.7328,7.4379;-.2168,-.3486,5.9692;.5615,-.9744,6.4448;.1327,.7058,6.0532;-.2592,-.6955,4.4677;.7225,-.458,4.0037;-1.0045,-.0414,3.9731;-.5981,-2.1616,4.1969;-1.6161,-2.3644,4.5769;.071,-2.797,4.8049;-.4992,-2.5854,2.7282;-.6727,-3.6768,2.658;.5345,-2.4168,2.3644;-1.4785,-1.8708,1.7964;-2.5195,-2.007,2.1423;-1.2837,-.785,1.76;-1.4095,-2.2587,.763;-.8853,-2.6009,7.7555;-1.4987,-.5534,6.7204;-2.3784,.038,6.445;-3.0285,-1.8661,7.8896;-.4503,.1196,11.8139;-.0509,.4182,12.7986;-.6187,-.9741,11.8196;-1.4291,.598,11.66;.5098,.5049,10.6882;.6891,1.598,10.7139;1.495,.0271,10.8659;.0291,.0894,9.2874;-.2434,-.9844,9.2865;.855,.1825,8.5653;-1.1383,.9221,8.7858;-2.1728,1.0854,9.4124;-.8966,1.6062,7.9309;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605201372721</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">0.006412284960 0.001036820880 0.022306123186 0.008705321465</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="126">-0.011996143 -0.002238214 0.000091804 0.000315393 0.000675252 0.000829074 0.001255513 0.001792844 0.001950160 0.002325437 0.003009105 0.003624174 0.004406917 0.004532933 0.005447572 0.006669430 0.007001838 0.008068273 0.009525664 0.010029535 0.011741106 0.012987373 0.014758885 0.019303390 0.021095674 0.024194224 0.026902467 0.027600286 0.031709161 0.034059009 0.036564100 0.036818257 0.040323040 0.041376258 0.045686522 0.046230022 0.046607489 0.049259764 0.051843865 0.052215651 0.054665807 0.056029920 0.058354403 0.059402491 0.059874838 0.067301266 0.069301581 0.069642172 0.071756477 0.072702033 0.075284389 0.077558011 0.078532622 0.079731811 0.082260111 0.083891255 0.092334334 0.099292168 0.100527166 0.105535048 0.106620788 0.109387717 0.113907027 0.115339332 0.117195700 0.129862780 0.135327795 0.138074031 0.141996469 0.142165594 0.148007279 0.162036993 0.168972324 0.170850821 0.173014598 0.179470944 0.182621747 0.189223501 0.197264690 0.209963472 0.221534080 0.224007036 0.247620493 0.252455931 0.256293138 0.292495803 0.310637326 0.342230790 0.406840997 0.417419052 0.431300570 0.477390534 0.511825308 0.545603497 0.591441100 0.615585039 0.661357313 0.662017422 0.737297485 0.746839149 0.752406014 0.755593989 0.770927465 0.778883524 0.786863647 0.795909861 0.797500291 0.805694740 0.814899212 0.821091389 0.822093293 0.847334897 0.850041679 0.851187869 0.859596122 0.865007692 0.892296420 0.900723748 0.904783783 0.910694279 0.919116451 0.921927306 0.933759399 0.977747358 1.516459862 1.575309497</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="-3.66508039" y3="-1.57988257" z3="10.7816249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.34869004" y3="-0.65184665" z3="10.27517597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.41275379" y3="-1.48710024" z3="11.85404566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76560445" y3="-1.66964059" z3="10.69868469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9692496" y3="-2.7839166" z3="10.15575479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24092925" y3="-3.71463058" z3="10.69426389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87418115" y3="-2.67376288" z3="10.23872565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30424366" y3="-2.98255986" z3="8.67750846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39175172" y3="-3.15971947" z3="8.56726267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75851571" y3="-3.86385407" z3="8.29799001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70704809" y3="-1.73237035" z3="7.43539143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20600912" y3="-0.34707674" z3="5.97224496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57136469" y3="-0.97571413" z3="6.4454684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.14784482" y3="0.70553421" z3="6.05444359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25610949" y3="-0.69589317" z3="4.4715475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.72496225" y3="-0.46485939" z3="4.00326438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.99935087" y3="-0.03830994" z3="3.97919837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60433212" y3="-2.16037522" z3="4.20451291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62312062" y3="-2.35608329" z3="4.58565785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06100199" y3="-2.79859764" z3="4.81356847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5101409" y3="-2.58832277" z3="2.73648594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69505153" y3="-3.67710472" z3="2.66880299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52421779" y3="-2.43158281" z3="2.37160689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.48382628" y3="-1.86646033" z3="1.8044861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52502653" y3="-1.98848156" z3="2.15632391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27645509" y3="-0.78250313" z3="1.7604151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42589225" y3="-2.26062009" z3="0.77331767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88215541" y3="-2.60629712" z3="7.74501311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48628074" y3="-0.54407516" z3="6.72886099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.36510607" y3="0.0472689" z3="6.45158848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02154958" y3="-1.8627288" z3="7.88535672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4602216" y3="0.13240225" z3="11.80705105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06716921" y3="0.43251852" z3="12.80106552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62303849" y3="-0.9593691" z3="11.82335588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44286281" y3="0.60506595" z3="11.64934436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50338482" y3="0.51148628" z3="10.68491557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.68042455" y3="1.60463761" z3="10.70278137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48502034" y3="0.04155245" z3="10.87846382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02814837" y3="0.08148913" z3="9.287963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24178825" y3="-0.98882611" z3="9.30072239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86011306" y3="0.17800519" z3="8.56636438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13917067" y3="0.90897979" z3="8.77222208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17944206" y3="1.06958303" z3="9.39360203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88269693" y3="1.6034291" z3="7.93592896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6651,-1.5799,10.7816;-3.3487,-.6518,10.2752;-3.4128,-1.4871,11.854;-4.7656,-1.6696,10.6987;-2.9692,-2.7839,10.1558;-3.2409,-3.7146,10.6943;-1.8742,-2.6738,10.2387;-3.3042,-2.9826,8.6775;-4.3918,-3.1597,8.5673;-2.7585,-3.8639,8.298;-1.707,-1.7324,7.4354;-.206,-.3471,5.9722;.5714,-.9757,6.4455;.1478,.7055,6.0544;-.2561,-.6959,4.4715;.725,-.4649,4.0033;-.9994,-.0383,3.9792;-.6043,-2.1604,4.2045;-1.6231,-2.3561,4.5857;.061,-2.7986,4.8136;-.5101,-2.5883,2.7365;-.6951,-3.6771,2.6688;.5242,-2.4316,2.3716;-1.4838,-1.8665,1.8045;-2.525,-1.9885,2.1563;-1.2765,-.7825,1.7604;-1.4259,-2.2606,.7733;-.8822,-2.6063,7.745;-1.4863,-.5441,6.7289;-2.3651,.0473,6.4516;-3.0215,-1.8627,7.8854;-.4602,.1324,11.8071;-.0672,.4325,12.8011;-.623,-.9594,11.8234;-1.4429,.6051,11.6493;.5034,.5115,10.6849;.6804,1.6046,10.7028;1.485,.0416,10.8785;.0281,.0815,9.288;-.2418,-.9888,9.3007;.8601,.178,8.5664;-1.1392,.909,8.7722;-2.1794,1.0696,9.3936;-.8827,1.6034,7.9359;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605239573620</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">0.006929172787 0.000930799187 0.028365487844 0.008705320628</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="126">-0.011959370 -0.002150301 0.000090951 0.000325281 0.000713496 0.000829293 0.001301100 0.001859088 0.001955027 0.002322541 0.003011331 0.003627291 0.004405102 0.004536497 0.005447583 0.006670181 0.007001909 0.008070627 0.009538396 0.010028766 0.011742076 0.012987042 0.014773722 0.019303986 0.021097140 0.024213505 0.026934931 0.027604303 0.031709528 0.034060257 0.036566026 0.036824693 0.040327961 0.041374786 0.045732101 0.046379314 0.046641522 0.049309560 0.051844182 0.052218951 0.054667099 0.056035845 0.058387080 0.059428071 0.060001193 0.067302341 0.069313756 0.069921573 0.071827053 0.072724087 0.075669390 0.077568989 0.078590557 0.079761780 0.082272844 0.084235414 0.092337127 0.099302638 0.100535751 0.105725287 0.106628922 0.109394551 0.113908347 0.115340969 0.117241487 0.129865580 0.135336916 0.138075092 0.142166245 0.142457458 0.148055621 0.162155081 0.168995039 0.171370269 0.173251105 0.179507580 0.182652573 0.189236956 0.197267668 0.209969755 0.222012510 0.224071077 0.247620388 0.252449689 0.256319617 0.292502804 0.310638113 0.342237014 0.407083666 0.417514881 0.431304789 0.477393386 0.512435728 0.545640038 0.591491214 0.615594955 0.661482530 0.662246013 0.737298934 0.746916601 0.752452744 0.755617870 0.770933006 0.778892486 0.786980999 0.796422786 0.797504231 0.805698024 0.814899995 0.821283500 0.822708047 0.847334815 0.850039671 0.851203428 0.859820993 0.865040093 0.892307108 0.900730559 0.904785061 0.910829653 0.919168977 0.925535961 0.933761022 0.977863684 1.516575932 1.575521205</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="-3.65590393" y3="-1.58625461" z3="10.77941411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33574408" y3="-0.65825946" z3="10.27517361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40159132" y3="-1.4988608" z3="11.85177525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7567387" y3="-1.67078682" z3="10.6983194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96661037" y3="-2.79100139" z3="10.14834369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24267437" y3="-3.72226969" z3="10.68289755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87132962" y3="-2.6871163" z3="10.23168893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30354694" y3="-2.98263387" z3="8.66963939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39209176" y3="-3.15292618" z3="8.55941121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76337914" y3="-3.86570841" z3="8.28613769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70124397" y3="-1.73208835" z3="7.43514104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19675727" y3="-0.34486891" z3="5.97820129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58057551" y3="-0.97660091" z3="6.44750045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1616653" y3="0.70634597" z3="6.0579232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25696327" y3="-0.69508043" z3="4.47815214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.72275094" y3="-0.46828381" z3="4.00499401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00015885" y3="-0.03522164" z3="3.98839427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61189594" y3="-2.15840849" z3="4.21318129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63179892" y3="-2.34945308" z3="4.59357695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05001613" y3="-2.79880376" z3="4.82361095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51959206" y3="-2.58836957" z3="2.74572778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.7098099" y3="-3.67687451" z3="2.67949298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51621468" y3="-2.43724762" z3="2.38139976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.48817232" y3="-1.86144898" z3="1.81213767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53015433" y3="-1.97382448" z3="2.16380175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27159593" y3="-0.7800623" z3="1.76593471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.43208558" y3="-2.25904133" z3="0.78180859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8801134" y3="-2.61199502" z3="7.73586108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47333822" y3="-0.53431809" z3="6.74376387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35181068" y3="0.05653288" z3="6.46367547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0156961" y3="-1.86112939" z3="7.88055435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47011102" y3="0.14391441" z3="11.80587292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08142237" y3="0.46088401" z3="12.78847516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62909437" y3="-0.95150799" z3="11.82667187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4523251" y3="0.61216809" z3="11.63642815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49625195" y3="0.51809416" z3="10.68257905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.66557671" y3="1.61491894" z3="10.69365118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48255827" y3="0.05389888" z3="10.88160043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03107532" y3="0.07402575" z3="9.28541799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.23292695" y3="-1.00261072" z3="9.30343127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86371806" y3="0.15967812" z3="8.5698915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13805965" y3="0.89183185" z3="8.75665839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18445777" y3="1.04830565" z3="9.37019283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86957044" y3="1.60184553" z3="7.9338677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6559,-1.5863,10.7794;-3.3357,-.6583,10.2752;-3.4016,-1.4989,11.8518;-4.7567,-1.6708,10.6983;-2.9666,-2.791,10.1483;-3.2427,-3.7223,10.6829;-1.8713,-2.6871,10.2317;-3.3035,-2.9826,8.6696;-4.3921,-3.1529,8.5594;-2.7634,-3.8657,8.2861;-1.7012,-1.7321,7.4351;-.1968,-.3449,5.9782;.5806,-.9766,6.4475;.1617,.7063,6.0579;-.257,-.6951,4.4782;.7228,-.4683,4.005;-1.0002,-.0352,3.9884;-.6119,-2.1584,4.2132;-1.6318,-2.3495,4.5936;.05,-2.7988,4.8236;-.5196,-2.5884,2.7457;-.7098,-3.6769,2.6795;.5162,-2.4372,2.3814;-1.4882,-1.8614,1.8121;-2.5302,-1.9738,2.1638;-1.2716,-.7801,1.7659;-1.4321,-2.259,.7818;-.8801,-2.612,7.7359;-1.4733,-.5343,6.7438;-2.3518,.0565,6.4637;-3.0157,-1.8611,7.8806;-.4701,.1439,11.8059;-.0814,.4609,12.7885;-.6291,-.9515,11.8267;-1.4523,.6122,11.6364;.4963,.5181,10.6826;.6656,1.6149,10.6937;1.4826,.0539,10.8816;.0311,.074,9.2854;-.2329,-1.0026,9.3034;.8637,.1597,8.5699;-1.1381,.8918,8.7567;-2.1845,1.0483,9.3702;-.8696,1.6018,7.9339;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605282417180</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">0.008139108886 0.000967691090 0.024981504313 0.008703512708</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="126">-0.011932375 -0.002760083 0.000090981 0.000337146 0.000741528 0.000837438 0.001325652 0.001847275 0.001978590 0.002325219 0.003014616 0.003629315 0.004405758 0.004538616 0.005449911 0.006673178 0.007004054 0.008078853 0.009585941 0.010033647 0.011746448 0.012993288 0.014841564 0.019304431 0.021107443 0.024249823 0.026985438 0.027602662 0.031709975 0.034060252 0.036581353 0.036825526 0.040330383 0.041376842 0.045762779 0.046415157 0.046658517 0.049305658 0.051852037 0.052219291 0.054733992 0.056098214 0.058409000 0.059450768 0.060284753 0.067303861 0.069324061 0.069990252 0.072059490 0.072753875 0.076279394 0.077574872 0.078740090 0.079849072 0.082295189 0.084971765 0.092336846 0.099302782 0.100534281 0.105937345 0.106634703 0.109395942 0.113908670 0.115342414 0.117307375 0.129865786 0.135344158 0.138077601 0.142168652 0.143016687 0.148089285 0.162226533 0.169000795 0.171688439 0.173503360 0.179528812 0.182695567 0.189260203 0.197268677 0.209982063 0.222297426 0.224236562 0.247637930 0.252466799 0.256431707 0.292508090 0.310639662 0.342238802 0.407116683 0.417531787 0.431308550 0.477393675 0.512927415 0.545641268 0.591502572 0.615598410 0.661484198 0.662263473 0.737302223 0.747140288 0.752515100 0.755620643 0.770936130 0.778896496 0.787051052 0.796787722 0.797505054 0.805702401 0.814901100 0.821316127 0.822888633 0.847335773 0.850096924 0.851248449 0.860175151 0.865046710 0.892307861 0.900732857 0.904785131 0.910871416 0.919213571 0.930129706 0.933786087 0.977872676 1.516764055 1.575593933</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="-3.65106086" y3="-1.59180207" z3="10.77688323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.32732025" y3="-0.66339334" z3="10.27495052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39642555" y3="-1.50862171" z3="11.84960372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.75243882" y3="-1.67313847" z3="10.69524769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96499114" y3="-2.79697817" z3="10.14209191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24279728" y3="-3.72985716" z3="10.67367047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8688781" y3="-2.69564362" z3="10.22553593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3031141" y3="-2.98298411" z3="8.66309632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39228732" y3="-3.14797049" z3="8.55188923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76630443" y3="-3.86639509" z3="8.27566474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69732856" y3="-1.73386379" z3="7.43321735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.18864647" y3="-0.34199377" z3="5.98546676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59010837" y3="-0.9756256" z3="6.44998343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.17277358" y3="0.70822397" z3="6.06241731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25953978" y3="-0.69322175" z3="4.48610059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71815419" y3="-0.46941125" z3="4.00744208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00310009" y3="-0.03131178" z3="4.00018712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61947468" y3="-2.15574903" z3="4.22264566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64052203" y3="-2.34363834" z3="4.60165121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03931514" y3="-2.79784189" z3="4.83437867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52684183" y3="-2.5875456" z3="2.75565445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72177241" y3="-3.67490447" z3="2.69005842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50994907" y3="-2.44117273" z3="2.39276606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4901975" y3="-1.85731939" z3="1.81953481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53329846" y3="-1.96369885" z3="2.16940547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26802553" y3="-0.77712612" z3="1.7721099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.4347734" y3="-2.25610803" z3="0.78992129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88210712" y3="-2.62256772" z3="7.71604474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46064323" y3="-0.52405565" z3="6.76166697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33900291" y3="0.06549654" z3="6.47860807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01018702" y3="-1.85922978" z3="7.8785124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47630504" y3="0.15714849" z3="11.79558899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09368187" y3="0.47589355" z3="12.78804462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63255444" y3="-0.93449302" z3="11.82959894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4600954" y3="0.62013844" z3="11.62051514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.4930461" y3="0.52478621" z3="10.6742018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.65695306" y3="1.61872689" z3="10.66866968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48072979" y3="0.06887762" z3="10.88321926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03341339" y3="0.06003117" z3="9.2830943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.2296264" y3="-1.00909439" z3="9.32244045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87194603" y3="0.14692368" z3="8.5674136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13686271" y3="0.86950165" z3="8.73927942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1880336" y3="1.02351345" z3="9.35037243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85651215" y3="1.59688285" z3="7.93352772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6511,-1.5918,10.7769;-3.3273,-.6634,10.275;-3.3964,-1.5086,11.8496;-4.7524,-1.6731,10.6952;-2.965,-2.797,10.1421;-3.2428,-3.7299,10.6737;-1.8689,-2.6956,10.2255;-3.3031,-2.983,8.6631;-4.3923,-3.148,8.5519;-2.7663,-3.8664,8.2757;-1.6973,-1.7339,7.4332;-.1886,-.342,5.9855;.5901,-.9756,6.45;.1728,.7082,6.0624;-.2595,-.6932,4.4861;.7182,-.4694,4.0074;-1.0031,-.0313,4.0002;-.6195,-2.1557,4.2226;-1.6405,-2.3436,4.6017;.0393,-2.7978,4.8344;-.5268,-2.5875,2.7557;-.7218,-3.6749,2.6901;.5099,-2.4412,2.3928;-1.4902,-1.8573,1.8195;-2.5333,-1.9637,2.1694;-1.268,-.7771,1.7721;-1.4348,-2.2561,.7899;-.8821,-2.6226,7.716;-1.4606,-.5241,6.7617;-2.339,.0655,6.4786;-3.0102,-1.8592,7.8785;-.4763,.1571,11.7956;-.0937,.4759,12.788;-.6326,-.9345,11.8296;-1.4601,.6201,11.6205;.493,.5248,10.6742;.657,1.6187,10.6687;1.4807,.0689,10.8832;.0334,.06,9.2831;-.2296,-1.0091,9.3224;.8719,.1469,8.5674;-1.1369,.8695,8.7393;-2.188,1.0235,9.3504;-.8565,1.5969,7.9335;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605353292992</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">0.008081515076 0.001104308240 0.028242265188 0.008704163538</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="126">-0.011923607 -0.003226512 0.000094004 0.000337942 0.000746776 0.000837990 0.001327972 0.001863369 0.001979426 0.002325754 0.003013670 0.003630535 0.004407123 0.004540571 0.005457144 0.006683043 0.007003484 0.008091744 0.009644373 0.010030790 0.011751676 0.013005227 0.014914214 0.019306036 0.021113416 0.024302769 0.027028725 0.027606791 0.031718418 0.034073239 0.036591065 0.036836778 0.040331755 0.041377596 0.045756845 0.046411922 0.046656628 0.049308637 0.051859811 0.052219348 0.054809241 0.056179225 0.058432080 0.059458091 0.060610543 0.067306476 0.069336674 0.069999239 0.072306212 0.072816975 0.076958093 0.077610160 0.078880457 0.079946079 0.082313657 0.086102445 0.092359822 0.099305083 0.100537350 0.106022812 0.106638999 0.109397730 0.113909572 0.115343690 0.117367297 0.129866283 0.135344190 0.138080625 0.142222080 0.143666494 0.148122728 0.162238410 0.169001365 0.171810509 0.173678462 0.179570594 0.182805572 0.189271563 0.197269813 0.209994528 0.222484276 0.224437662 0.247757020 0.252473519 0.256542905 0.292511496 0.310640624 0.342246858 0.407123239 0.417535478 0.431311957 0.477396575 0.513350016 0.545642733 0.591502411 0.615598901 0.661485123 0.662523198 0.737324226 0.748356175 0.752827620 0.755628994 0.770938072 0.778904079 0.787110151 0.797328832 0.797536618 0.805714368 0.814902225 0.821345329 0.822934289 0.847341342 0.850250777 0.851456302 0.860566500 0.865051067 0.892315212 0.900735620 0.904807658 0.910921437 0.919235612 0.933603861 0.935044225 0.977883707 1.516787937 1.575614335</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="-3.64723114" y3="-1.59659871" z3="10.7745231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.32031586" y3="-0.66818357" z3="10.27409208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39233762" y3="-1.5169838" z3="11.84744292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74880518" y3="-1.67495169" z3="10.69280124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96438032" y3="-2.80213805" z3="10.13705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2446985" y3="-3.7358051" z3="10.66567216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86826218" y3="-2.70438366" z3="10.22173637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30288859" y3="-2.98375482" z3="8.65769715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39254391" y3="-3.143336" z3="8.54538182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76984556" y3="-3.86803083" z3="8.2673406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69329781" y3="-1.73515314" z3="7.43399111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.18151944" y3="-0.33899392" z3="5.99311261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59740991" y3="-0.97578735" z3="6.4521308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.18419281" y3="0.709169" z3="6.06811609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26375742" y3="-0.6903835" z3="4.49472608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7116486" y3="-0.4688094" z3="4.01057812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00841618" y3="-0.02685872" z3="4.01273181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62725604" y3="-2.1523317" z3="4.23183781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64974098" y3="-2.33848562" z3="4.60794321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02875731" y3="-2.7956307" z3="4.84520842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53223562" y3="-2.58494121" z3="2.76516009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73037988" y3="-3.67160074" z3="2.69954633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50586283" y3="-2.4424113" z3="2.40512503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49156307" y3="-1.85271964" z3="1.8263049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53567566" y3="-1.95794558" z3="2.17404252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2679714" y3="-0.77239586" z3="1.77819863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.43512353" y3="-2.2523846" z3="0.79712442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88171592" y3="-2.63013383" z3="7.70459399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44842263" y3="-0.51167062" z3="6.78134222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32765326" y3="0.0738884" z3="6.49231887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00476481" y3="-1.85860365" z3="7.87533857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48162245" y3="0.16998956" z3="11.79128086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.1017656" y3="0.50413582" z3="12.77255236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63266486" y3="-0.92673831" z3="11.829701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46596382" y3="0.62777848" z3="11.60616047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48893645" y3="0.52979002" z3="10.6668664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.64597812" y3="1.62955086" z3="10.65567567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47713246" y3="0.08154959" z3="10.88569715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03613063" y3="0.04923424" z3="9.27846334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21996128" y3="-1.0286722" z3="9.32504747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87496123" y3="0.12386726" z3="8.56814753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1364036" y3="0.84586663" z3="8.71769065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19135512" y3="1.0003203" z3="9.32580956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83883284" y3="1.59106496" z3="7.9360713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6472,-1.5966,10.7745;-3.3203,-.6682,10.2741;-3.3923,-1.517,11.8474;-4.7488,-1.675,10.6928;-2.9644,-2.8021,10.1371;-3.2447,-3.7358,10.6657;-1.8683,-2.7044,10.2217;-3.3029,-2.9838,8.6577;-4.3925,-3.1433,8.5454;-2.7698,-3.868,8.2673;-1.6933,-1.7352,7.434;-.1815,-.339,5.9931;.5974,-.9758,6.4521;.1842,.7092,6.0681;-.2638,-.6904,4.4947;.7116,-.4688,4.0106;-1.0084,-.0269,4.0127;-.6273,-2.1523,4.2318;-1.6497,-2.3385,4.6079;.0288,-2.7956,4.8452;-.5322,-2.5849,2.7652;-.7304,-3.6716,2.6995;.5059,-2.4424,2.4051;-1.4916,-1.8527,1.8263;-2.5357,-1.9579,2.174;-1.268,-.7724,1.7782;-1.4351,-2.2524,.7971;-.8817,-2.6301,7.7046;-1.4484,-.5117,6.7813;-2.3277,.0739,6.4923;-3.0048,-1.8586,7.8753;-.4816,.17,11.7913;-.1018,.5041,12.7726;-.6327,-.9267,11.8297;-1.466,.6278,11.6062;.4889,.5298,10.6669;.646,1.6296,10.6557;1.4771,.0815,10.8857;.0361,.0492,9.2785;-.22,-1.0287,9.325;.875,.1239,8.5681;-1.1364,.8459,8.7177;-2.1914,1.0003,9.3258;-.8388,1.5911,7.9361;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605467072864</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">0.008423553281 0.001060392166 0.029076088835 0.008703928912</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="126">-0.011930989 -0.003657243 0.000099286 0.000338065 0.000754193 0.000837894 0.001350064 0.001866750 0.001981746 0.002325970 0.003013224 0.003630578 0.004413376 0.004541872 0.005457459 0.006721257 0.007003302 0.008100500 0.009656725 0.010030561 0.011751156 0.013004241 0.014919356 0.019306569 0.021115991 0.024310348 0.027054323 0.027604920 0.031723200 0.034081946 0.036603222 0.036872187 0.040332686 0.041377964 0.045754893 0.046417131 0.046664488 0.049356616 0.051877747 0.052220224 0.054925830 0.056296382 0.058432529 0.059458423 0.060870207 0.067306799 0.069389814 0.070011581 0.072489897 0.072889912 0.077343729 0.077714809 0.079133721 0.080157232 0.082347553 0.087454181 0.092348782 0.099307106 0.100537268 0.106097660 0.106639308 0.109401306 0.113913744 0.115344051 0.117491417 0.129866908 0.135347569 0.138089365 0.142223702 0.144233823 0.148140988 0.162265968 0.169003968 0.171938987 0.173903342 0.179593680 0.182987322 0.189300159 0.197270181 0.210013630 0.222609582 0.224574004 0.247738369 0.252475067 0.256646956 0.292512437 0.310643705 0.342253806 0.407180057 0.417549864 0.431319397 0.477399164 0.513565883 0.545649633 0.591512672 0.615602058 0.661505489 0.662685080 0.737327720 0.749078308 0.753128269 0.755687804 0.770938101 0.778904431 0.787120577 0.797470371 0.797704045 0.805723621 0.814903122 0.821352200 0.822969835 0.847347981 0.850367135 0.851871590 0.861051059 0.865052995 0.892318244 0.900736885 0.904824332 0.911106533 0.919241582 0.933707972 0.939949308 0.977919922 1.517128015 1.575750398</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="-3.64446157" y3="-1.59985704" z3="10.77171245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31408099" y3="-0.67186853" z3="10.27200725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38921844" y3="-1.52329133" z3="11.8447379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74617479" y3="-1.67560623" z3="10.69004972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.964495" y3="-2.80600407" z3="10.13250602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24758791" y3="-3.74028552" z3="10.65839174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86820588" y3="-2.71108564" z3="10.21901463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30236311" y3="-2.98406184" z3="8.65278425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39227395" y3="-3.13888032" z3="8.53857241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77216679" y3="-3.86906828" z3="8.26026673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68931727" y3="-1.73514208" z3="7.43652775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17498831" y3="-0.33563088" z3="6.00147156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60539483" y3="-0.97493705" z3="6.45465513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.19452066" y3="0.71136168" z3="6.07303478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26905347" y3="-0.68747099" z3="4.50363542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7040028" y3="-0.4663321" z3="4.01444861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01529143" y3="-0.02290731" z3="4.02542024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6340651" y3="-2.14915628" z3="4.23972208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65721636" y3="-2.3355404" z3="4.61401596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02109901" y3="-2.79359842" z3="4.85241598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53735602" y3="-2.58154193" z3="2.77288281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73482378" y3="-3.66870848" z3="2.70720027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50170485" y3="-2.43850714" z3="2.41477956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49398131" y3="-1.84918982" z3="1.83159797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53895357" y3="-1.95489979" z3="2.17461658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27001719" y3="-0.76977827" z3="1.78643305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.43252041" y3="-2.24712546" z3="0.8020296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88162705" y3="-2.6349544" z3="7.69436579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43565526" y3="-0.49869573" z3="6.80416261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3162808" y3="0.08041718" z3="6.50575132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99935361" y3="-1.85744423" z3="7.87275018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48646718" y3="0.18276599" z3="11.78260406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10995523" y3="0.52469286" z3="12.76702826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63554476" y3="-0.90981031" z3="11.83710351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.47214711" y3="0.63590057" z3="11.59225324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48512368" y3="0.53410631" z3="10.65768659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63878487" y3="1.62861794" z3="10.62727046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47648509" y3="0.09297235" z3="10.88369183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03921612" y3="0.03117781" z3="9.27443043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21684196" y3="-1.03820265" z3="9.34411873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.884763" y3="0.10394652" z3="8.56597361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13575842" y3="0.8170302" z3="8.69643113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19426088" y3="0.97124421" z3="9.30674679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82695178" y3="1.58473623" z3="7.9350739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6445,-1.5999,10.7717;-3.3141,-.6719,10.272;-3.3892,-1.5233,11.8447;-4.7462,-1.6756,10.69;-2.9645,-2.806,10.1325;-3.2476,-3.7403,10.6584;-1.8682,-2.7111,10.219;-3.3024,-2.9841,8.6528;-4.3923,-3.1389,8.5386;-2.7722,-3.8691,8.2603;-1.6893,-1.7351,7.4365;-.175,-.3356,6.0015;.6054,-.9749,6.4547;.1945,.7114,6.073;-.2691,-.6875,4.5036;.704,-.4663,4.0144;-1.0153,-.0229,4.0254;-.6341,-2.1492,4.2397;-1.6572,-2.3355,4.614;.0211,-2.7936,4.8524;-.5374,-2.5815,2.7729;-.7348,-3.6687,2.7072;.5017,-2.4385,2.4148;-1.494,-1.8492,1.8316;-2.539,-1.9549,2.1746;-1.27,-.7698,1.7864;-1.4325,-2.2471,.802;-.8816,-2.635,7.6944;-1.4357,-.4987,6.8042;-2.3163,.0804,6.5058;-2.9994,-1.8574,7.8728;-.4865,.1828,11.7826;-.11,.5247,12.767;-.6355,-.9098,11.8371;-1.4721,.6359,11.5923;.4851,.5341,10.6577;.6388,1.6286,10.6273;1.4765,.093,10.8837;.0392,.0312,9.2744;-.2168,-1.0382,9.3441;.8848,.1039,8.566;-1.1358,.817,8.6964;-2.1943,.9712,9.3067;-.827,1.5847,7.9351;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605675630333</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">0.005915294380 0.000976000366 0.031179966299 0.008703755652</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="126">-0.011955722 -0.004806295 0.000101901 0.000338285 0.000755094 0.000852373 0.001392791 0.001866206 0.001988241 0.002326652 0.003013958 0.003631204 0.004414696 0.004551463 0.005458566 0.006725836 0.007017115 0.008103689 0.009685780 0.010099576 0.011750541 0.013006801 0.014931862 0.019312771 0.021116006 0.024311776 0.027057779 0.027607226 0.031759878 0.034113601 0.036600923 0.036950951 0.040335896 0.041389387 0.045760859 0.046422887 0.046669914 0.049349751 0.051874365 0.052225993 0.054914866 0.056340831 0.058448447 0.059460546 0.060981063 0.067307997 0.069380930 0.070026745 0.072537572 0.072966943 0.077479156 0.077978632 0.079288848 0.080251511 0.082350392 0.088324951 0.092450133 0.099305517 0.100539360 0.106085980 0.106640447 0.109400974 0.113917286 0.115345328 0.117628348 0.129867081 0.135346573 0.138090064 0.142246519 0.144546865 0.148191952 0.162262156 0.169004109 0.171963103 0.173965428 0.179625297 0.183201681 0.189310111 0.197281536 0.210012293 0.222646665 0.224706779 0.247919557 0.252504802 0.256763426 0.292514738 0.310669053 0.342261343 0.407276753 0.417593649 0.431322927 0.477399293 0.513590369 0.545650237 0.591550109 0.615631847 0.661508642 0.663001377 0.737356475 0.750239322 0.753912132 0.755801946 0.770940160 0.778907032 0.787130608 0.797471711 0.797752508 0.805728028 0.814904324 0.821353946 0.822974309 0.847354119 0.850402686 0.852135051 0.861133357 0.865055392 0.892324086 0.900747274 0.904856153 0.911462674 0.919243013 0.933717928 0.942310977 0.977926345 1.517202414 1.575773911</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="-3.64136552" y3="-1.60233326" z3="10.76980312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30758755" y3="-0.67455688" z3="10.27084998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38595667" y3="-1.52844262" z3="11.84302016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74335977" y3="-1.67614054" z3="10.6880238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96373135" y3="-2.80927319" z3="10.12911227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24794918" y3="-3.74452077" z3="10.65321373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86707736" y3="-2.71622488" z3="10.21641614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30242559" y3="-2.98494392" z3="8.64953014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.3925825" y3="-3.13506536" z3="8.53426536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77504541" y3="-3.87027571" z3="8.25437674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68729899" y3="-1.73696011" z3="7.43774238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17018923" y3="-0.3327578" z3="6.00944994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61147521" y3="-0.97464068" z3="6.45610192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.20308512" y3="0.71235125" z3="6.07775152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27488747" y3="-0.68488036" z3="4.51196534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69603999" y3="-0.46320312" z3="4.01880588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0223731" y3="-0.01986605" z3="4.03664555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6386656" y3="-2.1467823" z3="4.24511625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66213298" y3="-2.33594759" z3="4.61751472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01702636" y3="-2.7915674" z3="4.85693432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53947332" y3="-2.57703418" z3="2.77736156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73623211" y3="-3.66361391" z3="2.70991948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.49958065" y3="-2.43348103" z3="2.42086024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49519056" y3="-1.84571902" z3="1.83448103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54143913" y3="-1.95799901" z3="2.17254525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27694779" y3="-0.76423446" z3="1.79240351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42833252" y3="-2.24041702" z3="0.80413871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88449547" y3="-2.6430878" z3="7.67668586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42372192" y3="-0.48363462" z3="6.82990159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.30698719" y3="0.0855145" z3="6.51836361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99464259" y3="-1.85687123" z3="7.87139279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48917919" y3="0.20023375" z3="11.7811635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.11170857" y3="0.55187381" z3="12.76046828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63901211" y3="-0.89544811" z3="11.84400516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.47267997" y3="0.65313633" z3="11.58399009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.4822031" y3="0.53686856" z3="10.6496142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63391532" y3="1.63614587" z3="10.61036611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47122058" y3="0.09883329" z3="10.88466269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03776012" y3="0.01716353" z3="9.27293212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21666185" y3="-1.05719584" z3="9.35733037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88425878" y3="0.07276655" z3="8.5687945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1377693" y3="0.78794541" z3="8.67119132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19831613" y3="0.94875511" z3="9.2851994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.80950902" y3="1.57491814" z3="7.93796221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6414,-1.6023,10.7698;-3.3076,-.6746,10.2708;-3.386,-1.5284,11.843;-4.7434,-1.6761,10.688;-2.9637,-2.8093,10.1291;-3.2479,-3.7445,10.6532;-1.8671,-2.7162,10.2164;-3.3024,-2.9849,8.6495;-4.3926,-3.1351,8.5343;-2.775,-3.8703,8.2544;-1.6873,-1.737,7.4377;-.1702,-.3328,6.0094;.6115,-.9746,6.4561;.2031,.7124,6.0778;-.2749,-.6849,4.512;.696,-.4632,4.0188;-1.0224,-.0199,4.0366;-.6387,-2.1468,4.2451;-1.6621,-2.3359,4.6175;.017,-2.7916,4.8569;-.5395,-2.577,2.7774;-.7362,-3.6636,2.7099;.4996,-2.4335,2.4209;-1.4952,-1.8457,1.8345;-2.5414,-1.958,2.1725;-1.2769,-.7642,1.7924;-1.4283,-2.2404,.8041;-.8845,-2.6431,7.6767;-1.4237,-.4836,6.8299;-2.307,.0855,6.5184;-2.9946,-1.8569,7.8714;-.4892,.2002,11.7812;-.1117,.5519,12.7605;-.639,-.8954,11.844;-1.4727,.6531,11.584;.4822,.5369,10.6496;.6339,1.6361,10.6104;1.4712,.0988,10.8847;.0378,.0172,9.2729;-.2167,-1.0572,9.3573;.8843,.0728,8.5688;-1.1378,.7879,8.6712;-2.1983,.9488,9.2852;-.8095,1.5749,7.938;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605995933332</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">0.006028860586 0.000850508633 0.034178941315 0.008703988306</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="126">-0.012609774 -0.003805092 0.000111401 0.000338340 0.000756634 0.000857736 0.001450389 0.001879913 0.001988055 0.002327162 0.003021462 0.003633412 0.004416586 0.004551473 0.005459605 0.006741811 0.007028014 0.008103519 0.009725979 0.010109349 0.011750389 0.013007419 0.014968616 0.019315113 0.021118616 0.024335638 0.027056264 0.027608035 0.031751112 0.034106097 0.036600139 0.036996943 0.040334943 0.041386672 0.045756820 0.046424279 0.046672804 0.049368077 0.051874893 0.052225159 0.054951029 0.056389634 0.058443818 0.059460390 0.060983507 0.067308341 0.069395052 0.070064878 0.072572960 0.073003106 0.077498555 0.078093337 0.079511236 0.080554980 0.082365581 0.088796059 0.092406408 0.099307265 0.100540411 0.106085394 0.106652989 0.109404329 0.113919478 0.115346440 0.117787157 0.129867899 0.135347560 0.138096102 0.142247853 0.144749209 0.148186175 0.162303435 0.169014278 0.172024628 0.174118318 0.179635601 0.183375712 0.189320261 0.197291430 0.210017368 0.222663445 0.224707874 0.247932123 0.252502540 0.256867974 0.292513790 0.310671882 0.342262066 0.407466830 0.417647016 0.431328266 0.477399171 0.513612612 0.545654752 0.591571453 0.615638053 0.661518881 0.663019581 0.737356431 0.750368276 0.754081999 0.755867519 0.770941068 0.778911356 0.787131478 0.797474626 0.797815561 0.805728906 0.814906784 0.821354883 0.823014969 0.847355588 0.850410327 0.852249929 0.861163950 0.865056651 0.892324189 0.900747628 0.904875662 0.912211515 0.919254115 0.933723344 0.944914659 0.977944450 1.517237780 1.575775420</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="-3.63634921" y3="-1.6048052" z3="10.76997555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.29946854" y3="-0.67668405" z3="10.27248833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38086883" y3="-1.53452785" z3="11.84341603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73853399" y3="-1.67596271" z3="10.6884404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96219932" y3="-2.81250456" z3="10.12706444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24843593" y3="-3.74787587" z3="10.6494789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86545435" y3="-2.7227316" z3="10.21457222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30253233" y3="-2.98611589" z3="8.64769366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39297239" y3="-3.13294348" z3="8.53287022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77767005" y3="-3.87190035" z3="8.25035599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68781095" y3="-1.73801857" z3="7.43717754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.1700255" y3="-0.33108428" z3="6.01231395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61220634" y3="-0.9743499" z3="6.45523079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.20533466" y3="0.71285133" z3="6.07812651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27856445" y3="-0.68349087" z3="4.51442091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69206882" y3="-0.45983736" z3="4.02123189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02625268" y3="-0.01896107" z3="4.03883401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63860415" y3="-2.14584099" z3="4.24295272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6613504" y3="-2.33963441" z3="4.614677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01918728" y3="-2.7904499" z3="4.85248436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53821131" y3="-2.57283972" z3="2.77360659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72809736" y3="-3.66133943" z3="2.70454739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50032835" y3="-2.42262806" z3="2.41707219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49705878" y3="-1.84534692" z3="1.83076339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54333829" y3="-1.96992098" z3="2.16169499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.28887944" y3="-0.76256907" z3="1.7978099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42003641" y3="-2.23125412" z3="0.79799638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88699818" y3="-2.64707091" z3="7.66351694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41894171" y3="-0.47366812" z3="6.84473258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.30373583" y3="0.08800387" z3="6.52363757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99247791" y3="-1.85697422" z3="7.87022084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48891096" y3="0.22158782" z3="11.78772439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10305641" y3="0.58402593" z3="12.75920043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.64830085" y3="-0.87125051" z3="11.86851349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.47053195" y3="0.6810784" z3="11.5905151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.47984771" y3="0.53469823" z3="10.64755974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.64553701" y3="1.62634056" z3="10.59007179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.46505447" y3="0.08963389" z3="10.88613908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02977076" y3="-0.00010699" z3="9.27662545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.2378462" y3="-1.06467904" z3="9.38325187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87902308" y3="0.03858761" z3="8.57208187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14084214" y3="0.76965891" z3="8.65887684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2028952" y3="0.9394633" z3="9.27929122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79946827" y3="1.57082449" z3="7.9431174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6363,-1.6048,10.77;-3.2995,-.6767,10.2725;-3.3809,-1.5345,11.8434;-4.7385,-1.676,10.6884;-2.9622,-2.8125,10.1271;-3.2484,-3.7479,10.6495;-1.8655,-2.7227,10.2146;-3.3025,-2.9861,8.6477;-4.393,-3.1329,8.5329;-2.7777,-3.8719,8.2504;-1.6878,-1.738,7.4372;-.17,-.3311,6.0123;.6122,-.9743,6.4552;.2053,.7129,6.0781;-.2786,-.6835,4.5144;.6921,-.4598,4.0212;-1.0263,-.019,4.0388;-.6386,-2.1458,4.243;-1.6614,-2.3396,4.6147;.0192,-2.7904,4.8525;-.5382,-2.5728,2.7736;-.7281,-3.6613,2.7045;.5003,-2.4226,2.4171;-1.4971,-1.8453,1.8308;-2.5433,-1.9699,2.1617;-1.2889,-.7626,1.7978;-1.42,-2.2313,.798;-.887,-2.6471,7.6635;-1.4189,-.4737,6.8447;-2.3037,.088,6.5236;-2.9925,-1.857,7.8702;-.4889,.2216,11.7877;-.1031,.584,12.7592;-.6483,-.8713,11.8685;-1.4705,.6811,11.5905;.4798,.5347,10.6476;.6455,1.6263,10.5901;1.4651,.0896,10.8861;.0298,-.0001,9.2766;-.2378,-1.0647,9.3833;.879,.0386,8.5721;-1.1408,.7697,8.6589;-2.2029,.9395,9.2793;-.7995,1.5708,7.9431;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.606150238986</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">0.006810596413 0.001120595307 0.031707272353 0.008703904921</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="126">-0.012221370 -0.000476999 0.000122063 0.000339258 0.000769563 0.000956255 0.001696085 0.001942312 0.001996049 0.002353765 0.003020857 0.003650438 0.004447878 0.004568048 0.005466516 0.006742625 0.007059974 0.008112300 0.009726883 0.010282165 0.011756860 0.013009607 0.014995885 0.019313693 0.021128302 0.024339263 0.027071920 0.027606950 0.031758693 0.034109146 0.036601644 0.037133767 0.040334432 0.041385437 0.045763352 0.046433242 0.046678553 0.049365097 0.051873560 0.052224945 0.054945206 0.056383950 0.058442696 0.059461082 0.060991202 0.067308823 0.069393261 0.070073355 0.072579530 0.073011010 0.077504118 0.078108967 0.079521044 0.080597166 0.082384946 0.089270861 0.092394609 0.099317344 0.100554331 0.106153677 0.106712907 0.109407867 0.113927628 0.115347630 0.117935827 0.129869074 0.135350477 0.138102738 0.142365583 0.144732683 0.148222701 0.162293032 0.169011631 0.172019990 0.174099592 0.179638519 0.183778663 0.189328665 0.197291462 0.210014430 0.222666015 0.224729086 0.247922999 0.252505030 0.256950173 0.292510679 0.310684169 0.342265778 0.407747493 0.417794492 0.431355605 0.477420317 0.513711481 0.545656258 0.591623995 0.615690797 0.661520062 0.663025558 0.737384041 0.750865629 0.754620571 0.756228823 0.770944514 0.778911365 0.787130101 0.797489819 0.798269611 0.805730411 0.814909655 0.821357293 0.823018551 0.847356058 0.850414888 0.852404003 0.861530347 0.865064029 0.892325223 0.900749183 0.904905530 0.912487316 0.919254940 0.933724701 0.944932923 0.977948051 1.517948260 1.578173385</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="-3.63767609" y3="-1.60501164" z3="10.77324945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.30360615" y3="-0.67616618" z3="10.27617212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38234195" y3="-1.53322022" z3="11.84665352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73982635" y3="-1.677366" z3="10.69159407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96197177" y3="-2.81205057" z3="10.1304752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2465187" y3="-3.74721023" z3="10.65452025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86503729" y3="-2.7205194" z3="10.21612809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30301486" y3="-2.98672226" z3="8.65119332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39336662" y3="-3.13767736" z3="8.5381307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77565727" y3="-3.87168922" z3="8.25502662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69071396" y3="-1.73946195" z3="7.433956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17532987" y3="-0.33642822" z3="6.00250591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60599155" y3="-0.97732344" z3="6.45089472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.19586057" y3="0.70917365" z3="6.07275417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27182127" y3="-0.68675381" z3="4.50357011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70128919" y3="-0.46221352" z3="4.01541836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01817107" y3="-0.02256469" z3="4.02511856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63117274" y3="-2.14909407" z3="4.23237977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65290763" y3="-2.34239184" z3="4.60698634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02817395" y3="-2.79354429" z3="4.84065611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53389835" y3="-2.57528824" z3="2.76301003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72481141" y3="-3.66295781" z3="2.69366498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50332104" y3="-2.42520697" z3="2.40380684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49577285" y3="-1.84747771" z3="1.82365523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54105761" y3="-1.97491325" z3="2.15716056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.29054894" y3="-0.76358529" z3="1.79174558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42117702" y3="-2.23145821" z3="0.79023247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88702476" y3="-2.64421046" z3="7.67424449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43116155" y3="-0.49115627" z3="6.81846758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.31359956" y3="0.0801018" z3="6.51044486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-2.99735083" y3="-1.85825196" z3="7.87332168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48360062" y3="0.21990383" z3="11.79844516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09338272" y3="0.5733117" z3="12.77291285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.65105022" y3="-0.87292624" z3="11.87211824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46135297" y3="0.68809068" z3="11.60666901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48499159" y3="0.53141866" z3="10.65723552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.65854742" y3="1.62501169" z3="10.60887071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.46613152" y3="0.07598743" z3="10.88880724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02266131" y3="0.01224872" z3="9.28548551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25459768" y3="-1.05366019" z3="9.37897619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86497552" y3="0.04567303" z3="8.57604609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14036626" y3="0.79975261" z3="8.68518906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20032043" y3="0.97117057" z3="9.30109278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.81009809" y3="1.57604444" z3="7.94338679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6377,-1.605,10.7732;-3.3036,-.6762,10.2762;-3.3823,-1.5332,11.8467;-4.7398,-1.6774,10.6916;-2.962,-2.8121,10.1305;-3.2465,-3.7472,10.6545;-1.865,-2.7205,10.2161;-3.303,-2.9867,8.6512;-4.3934,-3.1377,8.5381;-2.7757,-3.8717,8.255;-1.6907,-1.7395,7.434;-.1753,-.3364,6.0025;.606,-.9773,6.4509;.1959,.7092,6.0728;-.2718,-.6868,4.5036;.7013,-.4622,4.0154;-1.0182,-.0226,4.0251;-.6312,-2.1491,4.2324;-1.6529,-2.3424,4.607;.0282,-2.7935,4.8407;-.5339,-2.5753,2.763;-.7248,-3.663,2.6937;.5033,-2.4252,2.4038;-1.4958,-1.8475,1.8237;-2.5411,-1.9749,2.1572;-1.2905,-.7636,1.7917;-1.4212,-2.2315,.7902;-.887,-2.6442,7.6742;-1.4312,-.4912,6.8185;-2.3136,.0801,6.5104;-2.9974,-1.8583,7.8733;-.4836,.2199,11.7984;-.0934,.5733,12.7729;-.6511,-.8729,11.8721;-1.4614,.6881,11.6067;.485,.5314,10.6572;.6585,1.625,10.6089;1.4661,.076,10.8888;.0227,.0122,9.2855;-.2546,-1.0537,9.379;.865,.0457,8.576;-1.1404,.7998,8.6852;-2.2003,.9712,9.3011;-.8101,1.576,7.9434;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605713913914</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">0.010021457942 0.001352777936 0.036473941465 0.008704274511</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="126">-0.006691627 -0.000044182 0.000118546 0.000341052 0.000774330 0.000962220 0.001721572 0.001970725 0.002005841 0.002348254 0.003023277 0.003654458 0.004438329 0.004560514 0.005463512 0.006742671 0.007034526 0.008116967 0.009725986 0.010261768 0.011751636 0.013009842 0.015008480 0.019320527 0.021125477 0.024351562 0.027090908 0.027608716 0.031739531 0.034101947 0.036601422 0.037094885 0.040334137 0.041384403 0.045768514 0.046428129 0.046673444 0.049367191 0.051872670 0.052225146 0.054941674 0.056384561 0.058445921 0.059461768 0.060993246 0.067308651 0.069395547 0.070077340 0.072580121 0.073017068 0.077509296 0.078179356 0.079601489 0.080685644 0.082382675 0.089215902 0.092416189 0.099317447 0.100554885 0.106158586 0.106704722 0.109407569 0.113925662 0.115348210 0.117976088 0.129868711 0.135350718 0.138102063 0.142352702 0.144752754 0.148210863 0.162293094 0.169010797 0.172025396 0.174129765 0.179647955 0.183720341 0.189327443 0.197329590 0.210016535 0.222666564 0.224722373 0.247995295 0.252506515 0.257125004 0.292511632 0.310698462 0.342274638 0.407753595 0.417783431 0.431355432 0.477418567 0.513966792 0.545656133 0.591623603 0.615688977 0.661520383 0.663082939 0.737385130 0.750871734 0.754688707 0.756243315 0.770944346 0.778911497 0.787139792 0.797489917 0.798321340 0.805732022 0.814911935 0.821357812 0.823044698 0.847359002 0.850414840 0.852412148 0.861522074 0.865065884 0.892325160 0.900750236 0.904908471 0.912697505 0.919255814 0.933725128 0.945614415 0.977949371 1.519604087 1.580667192</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="-3.64296755" y3="-1.6036137" z3="10.77413584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31220947" y3="-0.67465437" z3="10.27673691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38840398" y3="-1.52898777" z3="11.84755523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74476147" y3="-1.67804988" z3="10.69170135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96414258" y3="-2.80965038" z3="10.13312368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24802692" y3="-3.74408579" z3="10.65831672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86776795" y3="-2.71615559" z3="10.21951834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30291715" y3="-2.98596474" z3="8.65317952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39299197" y3="-3.1415799" z3="8.53993855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77264072" y3="-3.87053965" z3="8.25961263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6913021" y3="-1.73697125" z3="7.43348561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17857945" y3="-0.33866424" z3="5.99604758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60053796" y3="-0.97836084" z3="6.45049253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.190797" y3="0.70812437" z3="6.0698999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26694468" y3="-0.68831581" z3="4.49719086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70761593" y3="-0.46603168" z3="4.0116861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01163399" y3="-0.02339938" z3="4.01740347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63006164" y3="-2.14976021" z3="4.23007402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65271716" y3="-2.33808933" z3="4.60461729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02623507" y3="-2.79430578" z3="4.84155767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53292996" y3="-2.57946362" z3="2.76224887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72577685" y3="-3.66757891" z3="2.69472114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50528726" y3="-2.43163039" z3="2.40329102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49431962" y3="-1.85013584" z3="1.82313544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53899872" y3="-1.96677998" z3="2.16456006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27924194" y3="-0.76844862" z3="1.78291136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42850746" y3="-2.24314841" z3="0.79165239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88289168" y3="-2.63622341" z3="7.69341794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44107838" y3="-0.50450003" z3="6.79439578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32197996" y3="0.07591448" z3="6.49828345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00133122" y3="-1.85879586" z3="7.87410981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48140926" y3="0.20008581" z3="11.79693928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0937288" y3="0.54826707" z3="12.7716436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.6424939" y3="-0.89054835" z3="11.86170217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46380816" y3="0.66283823" z3="11.60927472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.4877051" y3="0.53072079" z3="10.66361618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.65674437" y3="1.62352956" z3="10.62673939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.4744485" y3="0.07739225" z3="10.88597931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02791354" y3="0.02694409" z3="9.28548199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24287616" y3="-1.04000032" z3="9.36041579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87095626" y3="0.08214697" z3="8.57346091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13771031" y3="0.82588143" z3="8.70987298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19425292" y3="0.98935479" z3="9.31602627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82519866" y3="1.58262149" z3="7.9422192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.643,-1.6036,10.7741;-3.3122,-.6747,10.2767;-3.3884,-1.529,11.8476;-4.7448,-1.678,10.6917;-2.9641,-2.8097,10.1331;-3.248,-3.7441,10.6583;-1.8678,-2.7162,10.2195;-3.3029,-2.986,8.6532;-4.393,-3.1416,8.5399;-2.7726,-3.8705,8.2596;-1.6913,-1.737,7.4335;-.1786,-.3387,5.996;.6005,-.9784,6.4505;.1908,.7081,6.0699;-.2669,-.6883,4.4972;.7076,-.466,4.0117;-1.0116,-.0234,4.0174;-.6301,-2.1498,4.2301;-1.6527,-2.3381,4.6046;.0262,-2.7943,4.8416;-.5329,-2.5795,2.7622;-.7258,-3.6676,2.6947;.5053,-2.4316,2.4033;-1.4943,-1.8501,1.8231;-2.539,-1.9668,2.1646;-1.2792,-.7684,1.7829;-1.4285,-2.2431,.7917;-.8829,-2.6362,7.6934;-1.4411,-.5045,6.7944;-2.322,.0759,6.4983;-3.0013,-1.8588,7.8741;-.4814,.2001,11.7969;-.0937,.5483,12.7716;-.6425,-.8905,11.8617;-1.4638,.6628,11.6093;.4877,.5307,10.6636;.6567,1.6235,10.6267;1.4744,.0774,10.886;.0279,.0269,9.2855;-.2429,-1.04,9.3604;.871,.0821,8.5735;-1.1377,.8259,8.7099;-2.1943,.9894,9.316;-.8252,1.5826,7.9422;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605567865167</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">0.003616532941 0.000758051992 0.029519315208 0.008703762298</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="126">-0.005095894 -0.000383470 0.000116721 0.000338643 0.000778216 0.000935061 0.001644543 0.001960086 0.001994323 0.002337529 0.003025495 0.003663610 0.004429126 0.004576056 0.005474575 0.006789580 0.007107889 0.008114701 0.009767963 0.010224038 0.011760449 0.013015729 0.015102539 0.019308875 0.021123769 0.024409011 0.027116860 0.027656638 0.031752008 0.034119903 0.036603065 0.037110196 0.040343579 0.041396069 0.045775342 0.046427129 0.046672053 0.049367135 0.051878215 0.052226679 0.054980582 0.056433123 0.058451084 0.059462001 0.061059689 0.067308317 0.069399526 0.070080874 0.072582366 0.073041918 0.077512776 0.078254822 0.079722291 0.080994722 0.082379972 0.089242054 0.092470590 0.099318245 0.100562315 0.106184452 0.106727787 0.109407918 0.113926643 0.115349629 0.118102537 0.129868277 0.135351611 0.138101355 0.142371405 0.144818237 0.148226691 0.162332062 0.169017669 0.172045419 0.174186813 0.179655271 0.183727186 0.189327237 0.197355873 0.210016169 0.222655470 0.224735380 0.248047448 0.252511744 0.257221851 0.292514618 0.310711015 0.342296713 0.407964307 0.417830119 0.431352902 0.477426214 0.514207859 0.545655799 0.591644205 0.615720319 0.661520048 0.663122845 0.737410289 0.751046896 0.754985210 0.756586975 0.770945252 0.778913125 0.787143902 0.797494235 0.798318980 0.805732754 0.814911933 0.821359833 0.823108652 0.847361142 0.850421850 0.852430844 0.861566210 0.865079844 0.892327719 0.900752707 0.904940697 0.913987515 0.919278319 0.933725518 0.946265941 0.977980119 1.520330607 1.581409830</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="-3.64535803" y3="-1.60528566" z3="10.77370261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31567302" y3="-0.67615112" z3="10.27671453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39164569" y3="-1.52950875" z3="11.8474281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74717265" y3="-1.67943512" z3="10.68998961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96549885" y3="-2.81128991" z3="10.13330636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25149785" y3="-3.74560456" z3="10.65783288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8690677" y3="-2.71840757" z3="10.22182525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30083632" y3="-2.98639395" z3="8.65196766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39068204" y3="-3.14462134" z3="8.53719619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76814592" y3="-3.87068861" z3="8.26021327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68742469" y3="-1.73784238" z3="7.43128014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17692238" y3="-0.34322857" z3="5.98640087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60236392" y3="-0.98040738" z3="6.44513777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.18786114" y3="0.70570355" z3="6.06416294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25927195" y3="-0.69174073" z3="4.48774775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71603024" y3="-0.47203479" z3="4.00188933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00355053" y3="-0.02589839" z3="4.00771312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62882129" y3="-2.152733" z3="4.22711054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65161615" y3="-2.33352142" z3="4.60521123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02511608" y3="-2.79807648" z3="4.84075333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53729461" y3="-2.58675622" z3="2.7611102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73956623" y3="-3.67288366" z3="2.69633943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50112417" y3="-2.44751376" z3="2.399808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49383798" y3="-1.84994957" z3="1.82393656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53843319" y3="-1.95091471" z3="2.17179565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26544536" y3="-0.7707611" z3="1.7788172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.43791852" y3="-2.2476233" z3="0.79384121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87579959" y3="-2.63130945" z3="7.70966869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44608165" y3="-0.52227612" z3="6.76830994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32451045" y3="0.06705441" z3="6.48379646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00052801" y3="-1.85963896" z3="7.87392281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47926868" y3="0.19173514" z3="11.80046858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09713531" y3="0.52979694" z3="12.78423303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63823711" y3="-0.90208353" z3="11.85065072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4596522" y3="0.65411145" z3="11.61309277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49287049" y3="0.53311016" z3="10.67199296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.66159095" y3="1.62894978" z3="10.64948608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47616512" y3="0.07593419" z3="10.89052921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02869459" y3="0.04713339" z3="9.28943897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24117075" y3="-1.02419175" z3="9.34580813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8634453" y3="0.10867264" z3="8.5718745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13722984" y3="0.85540075" z3="8.73482883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19332332" y3="1.00849358" z3="9.33908199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84500595" y3="1.59206322" z3="7.94195747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6454,-1.6053,10.7737;-3.3157,-.6762,10.2767;-3.3916,-1.5295,11.8474;-4.7472,-1.6794,10.69;-2.9655,-2.8113,10.1333;-3.2515,-3.7456,10.6578;-1.8691,-2.7184,10.2218;-3.3008,-2.9864,8.652;-4.3907,-3.1446,8.5372;-2.7681,-3.8707,8.2602;-1.6874,-1.7378,7.4313;-.1769,-.3432,5.9864;.6024,-.9804,6.4451;.1879,.7057,6.0642;-.2593,-.6917,4.4877;.716,-.472,4.0019;-1.0036,-.0259,4.0077;-.6288,-2.1527,4.2271;-1.6516,-2.3335,4.6052;.0251,-2.7981,4.8408;-.5373,-2.5868,2.7611;-.7396,-3.6729,2.6963;.5011,-2.4475,2.3998;-1.4938,-1.8499,1.8239;-2.5384,-1.9509,2.1718;-1.2654,-.7708,1.7788;-1.4379,-2.2476,.7938;-.8758,-2.6313,7.7097;-1.4461,-.5223,6.7683;-2.3245,.0671,6.4838;-3.0005,-1.8596,7.8739;-.4793,.1917,11.8005;-.0971,.5298,12.7842;-.6382,-.9021,11.8507;-1.4597,.6541,11.6131;.4929,.5331,10.672;.6616,1.6289,10.6495;1.4762,.0759,10.8905;.0287,.0471,9.2894;-.2412,-1.0242,9.3458;.8634,.1087,8.5719;-1.1372,.8554,8.7348;-2.1933,1.0085,9.3391;-.845,1.5921,7.942;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605434017234</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">0.003394308901 0.000555877704 0.030902783256 0.008702990196</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="126">-0.002912012 -0.000552814 0.000121694 0.000143284 0.000358083 0.000786327 0.001047716 0.001834173 0.001977067 0.002366487 0.003020876 0.003663932 0.004428090 0.004569648 0.005491741 0.006852828 0.007084433 0.008102001 0.009748367 0.010079242 0.011762505 0.013012992 0.015198975 0.019270170 0.021112182 0.024420241 0.027120413 0.027706277 0.031701892 0.034112000 0.036606259 0.037155439 0.040352895 0.041407219 0.045770594 0.046421943 0.046667900 0.049375353 0.051883590 0.052223033 0.055047963 0.056469365 0.058438363 0.059472557 0.061096484 0.067310039 0.069410391 0.070081618 0.072593564 0.073085763 0.077518389 0.078244608 0.079764579 0.081428644 0.082394051 0.089528904 0.092526884 0.099323561 0.100576740 0.106198429 0.106767370 0.109415259 0.113929847 0.115353331 0.118271575 0.129869801 0.135352592 0.138102568 0.142360324 0.144900055 0.148247690 0.162384424 0.169026724 0.172091786 0.174312935 0.179651313 0.183787188 0.189329259 0.197350757 0.210025113 0.222687819 0.224719012 0.248213628 0.252500129 0.257182501 0.292516346 0.310713975 0.342302732 0.408100084 0.417862484 0.431364094 0.477429473 0.514491540 0.545671127 0.591648332 0.615723106 0.661521220 0.663114559 0.737432432 0.751066226 0.754995827 0.756661122 0.770949407 0.778912275 0.787154298 0.797494210 0.798317454 0.805738020 0.814914077 0.821361928 0.823098011 0.847364746 0.850459479 0.852544279 0.861665406 0.865081077 0.892330837 0.900779208 0.904996356 0.915233405 0.919295405 0.933727233 0.947048836 0.977956678 1.520534190 1.581323314</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="-3.64206002" y3="-1.61207535" z3="10.77079937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31206743" y3="-0.68177558" z3="10.27634664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38778879" y3="-1.53889024" z3="11.8445585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74414539" y3="-1.6839371" z3="10.68734541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96468511" y3="-2.81815623" z3="10.12760547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25337735" y3="-3.75328377" z3="10.6498963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86790309" y3="-2.7281942" z3="10.21589496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30019883" y3="-2.98823663" z3="8.64562817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39023946" y3="-3.14690681" z3="8.53029941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76723763" y3="-3.87166765" z3="8.2517323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.68533968" y3="-1.73414704" z3="7.4314007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.17461047" y3="-0.34668782" z3="5.98204087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60074001" y3="-0.98390795" z3="6.4463055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1905138" y3="0.70175385" z3="6.06090471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24718364" y3="-0.69765497" z3="4.48290757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73366281" y3="-0.48917284" z3="4.00388455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.98123647" y3="-0.02640143" z3="3.99567484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62920437" y3="-2.15535638" z3="4.22492761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65302273" y3="-2.32511488" z3="4.6058208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0197324" y3="-2.8050272" z3="4.83900767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.54596334" y3="-2.59446605" z3="2.76014209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.76165645" y3="-3.67840053" z3="2.69974802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.49279083" y3="-2.46916523" z3="2.39492944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49817405" y3="-1.84947109" z3="1.82380412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.54201818" y3="-1.93468297" z3="2.17827064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25559459" y3="-0.77326856" z3="1.77132034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.454459" y3="-2.25312531" z3="0.79560639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87013662" y3="-2.6212933" z3="7.72330159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44904547" y3="-0.52819574" z3="6.75404692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.32668772" y3="0.06059582" z3="6.46759376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00069375" y3="-1.85904153" z3="7.87116795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47890758" y3="0.18546114" z3="11.80859536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09851012" y3="0.52505085" z3="12.7880313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63142857" y3="-0.90760516" z3="11.85698471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46463204" y3="0.64302022" z3="11.6249393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49079103" y3="0.53967372" z3="10.68180733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.65734806" y3="1.63471161" z3="10.66624594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47827248" y3="0.08364882" z3="10.89242471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02713678" y3="0.06500978" z3="9.29513283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.2426108" y3="-1.0055738" z3="9.34077403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86389924" y3="0.13957543" z3="8.57685403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13766926" y3="0.87816947" z3="8.75033707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19052544" y3="1.03394496" z3="9.35432695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85423581" y3="1.59965498" z3="7.9430067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6421,-1.6121,10.7708;-3.3121,-.6818,10.2763;-3.3878,-1.5389,11.8446;-4.7441,-1.6839,10.6873;-2.9647,-2.8182,10.1276;-3.2534,-3.7533,10.6499;-1.8679,-2.7282,10.2159;-3.3002,-2.9882,8.6456;-4.3902,-3.1469,8.5303;-2.7672,-3.8717,8.2517;-1.6853,-1.7341,7.4314;-.1746,-.3467,5.982;.6007,-.9839,6.4463;.1905,.7018,6.0609;-.2472,-.6977,4.4829;.7337,-.4892,4.0039;-.9812,-.0264,3.9957;-.6292,-2.1554,4.2249;-1.653,-2.3251,4.6058;.0197,-2.805,4.839;-.546,-2.5945,2.7601;-.7617,-3.6784,2.6997;.4928,-2.4692,2.3949;-1.4982,-1.8495,1.8238;-2.542,-1.9347,2.1783;-1.2556,-.7733,1.7713;-1.4545,-2.2531,.7956;-.8701,-2.6213,7.7233;-1.449,-.5282,6.754;-2.3267,.0606,6.4676;-3.0007,-1.859,7.8712;-.4789,.1855,11.8086;-.0985,.5251,12.788;-.6314,-.9076,11.857;-1.4646,.643,11.6249;.4908,.5397,10.6818;.6573,1.6347,10.6662;1.4783,.0836,10.8924;.0271,.065,9.2951;-.2426,-1.0056,9.3408;.8639,.1396,8.5769;-1.1377,.8782,8.7503;-2.1905,1.0339,9.3543;-.8542,1.5997,7.943;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605363336800</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">0.002702180572 0.000652748263 0.041311681706 0.008704225407</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="126">-0.001773176 -0.000489353 0.000041750 0.000130650 0.000350216 0.000786607 0.000962827 0.001814482 0.001967978 0.002365789 0.003025804 0.003665239 0.004500396 0.004579990 0.005479869 0.006900526 0.007125639 0.008111430 0.009735374 0.010087375 0.011764297 0.013021328 0.015172494 0.019263944 0.021112539 0.024431004 0.027190926 0.027789173 0.031696712 0.034103621 0.036612438 0.037198451 0.040354763 0.041428009 0.045777709 0.046422078 0.046668169 0.049374312 0.051884667 0.052227214 0.055036455 0.056512025 0.058456229 0.059471118 0.061116108 0.067309797 0.069413472 0.070081855 0.072594798 0.073116840 0.077517176 0.078248375 0.079813109 0.081800747 0.082391418 0.089576552 0.092499773 0.099321160 0.100574691 0.106259083 0.106841223 0.109413609 0.113932289 0.115359006 0.118454837 0.129870234 0.135352360 0.138104155 0.142367585 0.144899591 0.148255410 0.162396431 0.169026388 0.172119770 0.174380872 0.179654711 0.183807893 0.189331247 0.197358153 0.210057552 0.222721544 0.224729451 0.248183268 0.252504462 0.257194497 0.292558261 0.310713584 0.342304151 0.408177765 0.417875249 0.431374288 0.477433490 0.514843282 0.545671179 0.591648333 0.615732509 0.661522765 0.663112135 0.737447212 0.751070804 0.755000879 0.756745938 0.770950216 0.778914680 0.787158171 0.797494375 0.798327513 0.805739950 0.814917682 0.821377931 0.823251595 0.847366212 0.850481002 0.852882593 0.862036736 0.865097409 0.892345588 0.900779855 0.905074261 0.915841002 0.919298291 0.933733440 0.947318288 0.977968271 1.520894070 1.581650230</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="-3.63588155" y3="-1.60639511" z3="10.77355832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3103425" y3="-0.67677511" z3="10.27534031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37640778" y3="-1.53006619" z3="11.84548532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73790156" y3="-1.67976764" z3="10.69606255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96070541" y3="-2.81268967" z3="10.13007287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24590578" y3="-3.74630069" z3="10.65630049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86395685" y3="-2.72143142" z3="10.21129338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30327573" y3="-2.98562386" z3="8.6505021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39338008" y3="-3.14606613" z3="8.54131298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.7714214" y3="-3.86907761" z3="8.25620903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69311248" y3="-1.72988149" z3="7.43216448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.18168258" y3="-0.34678552" z3="5.98130652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59235223" y3="-0.98056121" z3="6.45380887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.18054751" y3="0.70340158" z3="6.05912005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24306854" y3="-0.70129983" z3="4.48229223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.74117112" y3="-0.49286781" z3="4.01016289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.97426502" y3="-0.0312308" z3="3.98855542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62357561" y3="-2.15908133" z3="4.22453465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64617836" y3="-2.32935111" z3="4.60733672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02686193" y3="-2.8082081" z3="4.83761709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.54252107" y3="-2.5974092" z3="2.75940776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.75756227" y3="-3.68116564" z3="2.69890153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.49554838" y3="-2.47126294" z3="2.39258923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.49566476" y3="-1.85284565" z3="1.82457823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53866765" y3="-1.93620963" z3="2.18110207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25166722" y3="-0.77812304" z3="1.77061866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.45372347" y3="-2.2581763" z3="0.79677903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87485327" y3="-2.61280584" z3="7.73284211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46078659" y3="-0.53147956" z3="6.74349436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33744105" y3="0.06099541" z3="6.4607121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.00930039" y3="-1.85803768" z3="7.87257114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48165207" y3="0.1641341" z3="11.8031833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10322481" y3="0.48373916" z3="12.79516341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.63479571" y3="-0.93016913" z3="11.83184083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46435803" y3="0.62485292" z3="11.62496218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49015187" y3="0.5354319" z3="10.68446015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.65759408" y3="1.63094783" z3="10.68798419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47469485" y3="0.07573123" z3="10.89190378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.02961549" y3="0.08151977" z3="9.28855899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.23594632" y3="-0.99165876" z3="9.31492481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86404559" y3="0.16618155" z3="8.57299389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1388092" y3="0.89735762" z3="8.7552087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1894874" y3="1.04829422" z3="9.3619694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86942229" y3="1.60960404" z3="7.93258675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6359,-1.6064,10.7736;-3.3103,-.6768,10.2753;-3.3764,-1.5301,11.8455;-4.7379,-1.6798,10.6961;-2.9607,-2.8127,10.1301;-3.2459,-3.7463,10.6563;-1.864,-2.7214,10.2113;-3.3033,-2.9856,8.6505;-4.3934,-3.1461,8.5413;-2.7714,-3.8691,8.2562;-1.6931,-1.7299,7.4322;-.1817,-.3468,5.9813;.5924,-.9806,6.4538;.1805,.7034,6.0591;-.2431,-.7013,4.4823;.7412,-.4929,4.0102;-.9743,-.0312,3.9886;-.6236,-2.1591,4.2245;-1.6462,-2.3294,4.6073;.0269,-2.8082,4.8376;-.5425,-2.5974,2.7594;-.7576,-3.6812,2.6989;.4955,-2.4713,2.3926;-1.4957,-1.8528,1.8246;-2.5387,-1.9362,2.1811;-1.2517,-.7781,1.7706;-1.4537,-2.2582,.7968;-.8749,-2.6128,7.7328;-1.4608,-.5315,6.7435;-2.3374,.061,6.4607;-3.0093,-1.858,7.8726;-.4817,.1641,11.8032;-.1032,.4837,12.7952;-.6348,-.9302,11.8318;-1.4644,.6249,11.625;.4902,.5354,10.6845;.6576,1.6309,10.688;1.4747,.0757,10.8919;.0296,.0815,9.2886;-.2359,-.9917,9.3149;.864,.1662,8.573;-1.1388,.8974,8.7552;-2.1895,1.0483,9.362;-.8694,1.6096,7.9326;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605319418023</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">0.003147862747 0.000692645962 0.030408656925 0.008704006985</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="126">-0.001290856 -0.000718636 -0.000141446 0.000155030 0.000357250 0.000785576 0.000931270 0.001799417 0.001971390 0.002368939 0.003026211 0.003666065 0.004551675 0.004669969 0.005472459 0.006895666 0.007159246 0.008119798 0.009740558 0.010074692 0.011765305 0.013019048 0.015165543 0.019257275 0.021113135 0.024448207 0.027213578 0.027876164 0.031682951 0.034113619 0.036618045 0.037281215 0.040361136 0.041491333 0.045773324 0.046427147 0.046678008 0.049370095 0.051882861 0.052224939 0.055064163 0.056595688 0.058454855 0.059473746 0.061190724 0.067310125 0.069411003 0.070087173 0.072599207 0.073162808 0.077517022 0.078247512 0.079816952 0.082031061 0.082401461 0.089583582 0.092552095 0.099325083 0.100602568 0.106292408 0.106973034 0.109415626 0.113934550 0.115358498 0.118554972 0.129870789 0.135352215 0.138108993 0.142363342 0.144898852 0.148277055 0.162423999 0.169027384 0.172146783 0.174424569 0.179654022 0.183824615 0.189331776 0.197360692 0.210081604 0.222722013 0.224742671 0.248332429 0.252518310 0.257203977 0.292604754 0.310720309 0.342305358 0.408227538 0.417887618 0.431373161 0.477440122 0.514955305 0.545677436 0.591653964 0.615744949 0.661524817 0.663195472 0.737447140 0.751104294 0.755091420 0.756847089 0.770951430 0.778917114 0.787157677 0.797495068 0.798326438 0.805739935 0.814918934 0.821377600 0.823242332 0.847371798 0.850499918 0.853130958 0.862530605 0.865100334 0.892364183 0.900780870 0.905125806 0.916313829 0.919299188 0.933733515 0.947381523 0.977966135 1.521207995 1.581753022</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="-3.63247617" y3="-1.59671851" z3="10.77892968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31008142" y3="-0.66730732" z3="10.27753182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36713216" y3="-1.51877755" z3="11.84955316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.73504925" y3="-1.67304164" z3="10.7074599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95756806" y3="-2.80240918" z3="10.1329071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23672767" y3="-3.73675113" z3="10.66149694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86025466" y3="-2.70777754" z3="10.20787291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30811601" y3="-2.97848104" z3="8.65528841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39905375" y3="-3.13613941" z3="8.5510518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.78006447" y3="-3.86375547" z3="8.25954692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70113437" y3="-1.72603736" z3="7.4317986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.18719396" y3="-0.34025208" z3="5.98537238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58789912" y3="-0.97226624" z3="6.45686632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.17405164" y3="0.70975472" z3="6.05982986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.24910393" y3="-0.69848179" z3="4.48757617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73444466" y3="-0.48712333" z3="4.01534105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.98203222" y3="-0.03231405" z3="3.99168445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62184075" y3="-2.15874797" z3="4.23033565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64444823" y3="-2.33493695" z3="4.6107749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03114394" y3="-2.80418034" z3="4.84490142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53494253" y3="-2.59762294" z3="2.76526245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.74472879" y3="-3.68254941" z3="2.70470451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5034186" y3="-2.46710082" z3="2.40091239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.48956769" y3="-1.85855434" z3="1.82731238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.53290256" y3="-1.9484743" z3="2.1807989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25295535" y3="-0.78151346" z3="1.7728152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.44271923" y3="-2.26335509" z3="0.79989644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88453134" y3="-2.61152513" z3="7.72209503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46354647" y3="-0.51913652" z3="6.75573419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.34080857" y3="0.0682106" z3="6.4654027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01463049" y3="-1.85246155" z3="7.87327518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48435139" y3="0.13908448" z3="11.79327451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10712497" y3="0.45530205" z3="12.78215759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62925179" y3="-0.95669401" z3="11.81202637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.47298668" y3="0.59444426" z3="11.62031254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48414483" y3="0.5298398" z3="10.67728515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63790135" y3="1.6273723" z3="10.68879104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47613779" y3="0.07960975" z3="10.88123451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03310509" y3="0.08003415" z3="9.2791572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21970144" y3="-0.99550526" z3="9.30094864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8735132" y3="0.1827066" z3="8.56753096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14113716" y3="0.88504753" z3="8.73862203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18951294" y3="1.03913546" z3="9.3547989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86644555" y3="1.60883735" z3="7.93190459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6325,-1.5967,10.7789;-3.3101,-.6673,10.2775;-3.3671,-1.5188,11.8496;-4.735,-1.673,10.7075;-2.9576,-2.8024,10.1329;-3.2367,-3.7368,10.6615;-1.8603,-2.7078,10.2079;-3.3081,-2.9785,8.6553;-4.3991,-3.1361,8.5511;-2.7801,-3.8638,8.2595;-1.7011,-1.726,7.4318;-.1872,-.3403,5.9854;.5879,-.9723,6.4569;.1741,.7098,6.0598;-.2491,-.6985,4.4876;.7344,-.4871,4.0153;-.982,-.0323,3.9917;-.6218,-2.1587,4.2303;-1.6444,-2.3349,4.6108;.0311,-2.8042,4.8449;-.5349,-2.5976,2.7653;-.7447,-3.6825,2.7047;.5034,-2.4671,2.4009;-1.4896,-1.8586,1.8273;-2.5329,-1.9485,2.1808;-1.253,-.7815,1.7728;-1.4427,-2.2634,.7999;-.8845,-2.6115,7.7221;-1.4635,-.5191,6.7557;-2.3408,.0682,6.4654;-3.0146,-1.8525,7.8733;-.4844,.1391,11.7933;-.1071,.4553,12.7822;-.6293,-.9567,11.812;-1.473,.5944,11.6203;.4841,.5298,10.6773;.6379,1.6274,10.6888;1.4761,.0796,10.8812;.0331,.08,9.2792;-.2197,-.9955,9.3009;.8735,.1827,8.5675;-1.1411,.885,8.7386;-2.1895,1.0391,9.3548;-.8664,1.6088,7.9319;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605358933541</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">0.004137923254 0.000681665660 0.024544292361 0.008704176886</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="126">-0.001291837 -0.000773645 -0.000007897 0.000149656 0.000410528 0.000799104 0.001110568 0.001838338 0.001971930 0.002393891 0.003025832 0.003702510 0.004555891 0.004769178 0.005516098 0.006894589 0.007207369 0.008121107 0.009774349 0.010071033 0.011765394 0.013019878 0.015172916 0.019255986 0.021112937 0.024454569 0.027235967 0.027924007 0.031681382 0.034138583 0.036617909 0.037394629 0.040373170 0.041630569 0.045771269 0.046428469 0.046685504 0.049373329 0.051882486 0.052224508 0.055083417 0.056712349 0.058462605 0.059476870 0.061249714 0.067311991 0.069410084 0.070091127 0.072604389 0.073290699 0.077516653 0.078255346 0.079820790 0.082237419 0.082469021 0.089610664 0.092614055 0.099345006 0.100643818 0.106330102 0.107222294 0.109427507 0.113936243 0.115358674 0.118692154 0.129871743 0.135353557 0.138110059 0.142379473 0.144899663 0.148274272 0.162440021 0.169030235 0.172187303 0.174547315 0.179656662 0.183853609 0.189333540 0.197367686 0.210101022 0.222780460 0.224736219 0.248313131 0.252524432 0.257333564 0.292629864 0.310721281 0.342307494 0.408286427 0.417914428 0.431381759 0.477446373 0.515060279 0.545695287 0.591655139 0.615758366 0.661529258 0.663219158 0.737448479 0.751132726 0.755159929 0.756919441 0.770957487 0.778926356 0.787157402 0.797500978 0.798349661 0.805740201 0.814918755 0.821386233 0.823251950 0.847379922 0.850506996 0.853440182 0.863882927 0.865099755 0.892403593 0.900799849 0.905202748 0.916793640 0.919301565 0.933742394 0.947891734 0.977973117 1.521532485 1.582124049</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="-3.63793538" y3="-1.5893074" z3="10.78393348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.31924776" y3="-0.66014638" z3="10.27996407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37031002" y3="-1.50852702" z3="11.85354362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7401805" y3="-1.67014401" z3="10.71545675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95942714" y3="-2.7930207" z3="10.13879001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23348321" y3="-3.72733495" z3="10.66942414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8626816" y3="-2.69368483" z3="10.21193063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3112331" y3="-2.97328895" z3="8.66241607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40224103" y3="-3.13015984" z3="8.55975357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.78442409" y3="-3.85957697" z3="8.26808247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70531698" y3="-1.72388573" z3="7.43492985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19367525" y3="-0.33299259" z3="5.9900051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58458741" y3="-0.96398828" z3="6.45813823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.16707908" y3="0.71729035" z3="6.0626813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26289133" y3="-0.691044" z3="4.49287884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71585762" y3="-0.46911251" z3="4.01556704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00544263" y3="-0.03133277" z3="4.00243312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62192229" y3="-2.15473474" z3="4.23462693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64474101" y3="-2.34124557" z3="4.60953985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03425084" y3="-2.79439235" z3="4.85152521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52319731" y3="-2.59291888" z3="2.76981309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72018449" y3="-3.68031257" z3="2.70795749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51574092" y3="-2.4505991" z3="2.41138361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.48137352" y3="-1.86472357" z3="1.82636552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5256758" y3="-1.96664484" z3="2.17417545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25588469" y3="-0.78547571" z3="1.77343457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42441148" y3="-2.27000213" z3="0.79901874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88978285" y3="-2.61286723" z3="7.71763005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46547336" y3="-0.51026596" z3="6.76756108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.34414368" y3="0.07666134" z3="6.47924394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01759606" y3="-1.84963231" z3="7.87715197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.48242159" y3="0.12748827" z3="11.78023133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10471778" y3="0.43513627" z3="12.77615024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62662545" y3="-0.96761745" z3="11.79458554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46944022" y3="0.58318817" z3="11.60869004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48627941" y3="0.5222131" z3="10.66755383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63587664" y3="1.61937171" z3="10.67944832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.47748262" y3="0.07671114" z3="10.8760515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03970362" y3="0.07073862" z3="9.26750596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.20840587" y3="-1.00634352" z3="9.28965513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87850571" y3="0.16909275" z3="8.56083451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1391787" y3="0.87013732" z3="8.72525476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18738543" y3="1.02120411" z3="9.3422677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86267404" y3="1.60547704" z3="7.92478818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6379,-1.5893,10.7839;-3.3192,-.6601,10.28;-3.3703,-1.5085,11.8535;-4.7402,-1.6701,10.7155;-2.9594,-2.793,10.1388;-3.2335,-3.7273,10.6694;-1.8627,-2.6937,10.2119;-3.3112,-2.9733,8.6624;-4.4022,-3.1302,8.5598;-2.7844,-3.8596,8.2681;-1.7053,-1.7239,7.4349;-.1937,-.333,5.99;.5846,-.964,6.4581;.1671,.7173,6.0627;-.2629,-.691,4.4929;.7159,-.4691,4.0156;-1.0054,-.0313,4.0024;-.6219,-2.1547,4.2346;-1.6447,-2.3412,4.6095;.0343,-2.7944,4.8515;-.5232,-2.5929,2.7698;-.7202,-3.6803,2.708;.5157,-2.4506,2.4114;-1.4814,-1.8647,1.8264;-2.5257,-1.9666,2.1742;-1.2559,-.7855,1.7734;-1.4244,-2.27,.799;-.8898,-2.6129,7.7176;-1.4655,-.5103,6.7676;-2.3441,.0767,6.4792;-3.0176,-1.8496,7.8772;-.4824,.1275,11.7802;-.1047,.4351,12.7762;-.6266,-.9676,11.7946;-1.4694,.5832,11.6087;.4863,.5222,10.6676;.6359,1.6194,10.6794;1.4775,.0767,10.8761;.0397,.0707,9.2675;-.2084,-1.0063,9.2897;.8785,.1691,8.5608;-1.1392,.8701,8.7253;-2.1874,1.0212,9.3423;-.8627,1.6055,7.9248;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605397072403</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">0.004534730071 0.000692729014 0.028350069435 0.008703658263</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="126">-0.001225708 -0.001018841 0.000063522 0.000152840 0.000417183 0.000808888 0.001161349 0.001850340 0.001981014 0.002394939 0.003030992 0.003722063 0.004567761 0.004856520 0.005550960 0.006899652 0.007216018 0.008120938 0.009854756 0.010082948 0.011767635 0.013019724 0.015178066 0.019273701 0.021117870 0.024455112 0.027274585 0.027957429 0.031686945 0.034142171 0.036617737 0.037474896 0.040380904 0.041738659 0.045780426 0.046428865 0.046685267 0.049387896 0.051882394 0.052224188 0.055088165 0.056813065 0.058471858 0.059477489 0.061292899 0.067314615 0.069412923 0.070091321 0.072605278 0.073568950 0.077516567 0.078274474 0.079823294 0.082300606 0.082534542 0.089627807 0.092651042 0.099366393 0.100673644 0.106360798 0.107506092 0.109447089 0.113939060 0.115358424 0.118786531 0.129871653 0.135362678 0.138109179 0.142448036 0.144900748 0.148274001 0.162440771 0.169029410 0.172217119 0.174710934 0.179679741 0.183890032 0.189340924 0.197370632 0.210107187 0.222845071 0.224724218 0.248309215 0.252529302 0.257530411 0.292622873 0.310722112 0.342324178 0.408321692 0.417940022 0.431383458 0.477462590 0.515309966 0.545711368 0.591655754 0.615774908 0.661530050 0.663237300 0.737449482 0.751180671 0.755269439 0.757092836 0.770959407 0.778932903 0.787155493 0.797503469 0.798360188 0.805741171 0.814918675 0.821392089 0.823256438 0.847382458 0.850508582 0.853663255 0.865087549 0.865498688 0.892432659 0.900806751 0.905233967 0.916926925 0.919313244 0.933744678 0.948200379 0.978014477 1.521903808 1.582548738</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="-3.64198475" y3="-1.57877638" z3="10.79071868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.32788271" y3="-0.65044817" z3="10.28259471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37106351" y3="-1.49336159" z3="11.85914349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74405878" y3="-1.66336413" z3="10.72608925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96198658" y3="-2.78221323" z3="10.14734375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23159487" y3="-3.71556792" z3="10.68197693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86539823" y3="-2.67932651" z3="10.21692632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31733876" y3="-2.96818429" z3="8.67252973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40852648" y3="-3.12607441" z3="8.5733097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.79060191" y3="-3.85554338" z3="8.280725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71482294" y3="-1.72640291" z3="7.4317701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20398776" y3="-0.33015987" z3="5.98725669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57824258" y3="-0.95824893" z3="6.45376537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.15130675" y3="0.72226662" z3="6.06237823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27262589" y3="-0.68566134" z3="4.48968491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70179893" y3="-0.45258281" z3="4.00895365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02436283" y3="-0.03307608" z3="4.00335941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61645188" y3="-2.15303394" z3="4.23169316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63812845" y3="-2.34987838" z3="4.60423884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04472755" y3="-2.78537291" z3="4.85125264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50801008" y3="-2.58935521" z3="2.76747725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69183442" y3="-3.67870834" z3="2.70370048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53048276" y3="-2.43388313" z3="2.41342662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47046793" y3="-1.87080718" z3="1.82208363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5157774" y3="-1.99112272" z3="2.16102914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26183878" y3="-0.78781122" z3="1.77861255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39884819" y3="-2.26747537" z3="0.79281174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.9011661" y3="-2.61821105" z3="7.71012152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4757752" y3="-0.51480687" z3="6.76319043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35314277" y3="0.07858484" z3="6.4844292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02568771" y3="-1.84749228" z3="7.88244272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47556037" y3="0.11471101" z3="11.7780085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09628257" y3="0.42586055" z3="12.76705588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.62064906" y3="-0.98184263" z3="11.78813912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46433083" y3="0.57076249" z3="11.6084893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49001759" y3="0.51194543" z3="10.66247826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63551776" y3="1.61155335" z3="10.67573372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48593796" y3="0.06796279" z3="10.86488098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03890224" y3="0.06049681" z3="9.2649743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.2087898" y3="-1.01597716" z3="9.28632451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87872635" y3="0.16937157" z3="8.55175235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1387359" y3="0.86563832" z3="8.7296361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1849598" y3="1.01768424" z3="9.3504788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86134898" y3="1.59731963" z3="7.92938518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.642,-1.5788,10.7907;-3.3279,-.6504,10.2826;-3.3711,-1.4934,11.8591;-4.7441,-1.6634,10.7261;-2.962,-2.7822,10.1473;-3.2316,-3.7156,10.682;-1.8654,-2.6793,10.2169;-3.3173,-2.9682,8.6725;-4.4085,-3.1261,8.5733;-2.7906,-3.8555,8.2807;-1.7148,-1.7264,7.4318;-.204,-.3302,5.9873;.5782,-.9582,6.4538;.1513,.7223,6.0624;-.2726,-.6857,4.4897;.7018,-.4526,4.009;-1.0244,-.0331,4.0034;-.6165,-2.153,4.2317;-1.6381,-2.3499,4.6042;.0447,-2.7854,4.8513;-.508,-2.5894,2.7675;-.6918,-3.6787,2.7037;.5305,-2.4339,2.4134;-1.4705,-1.8708,1.8221;-2.5158,-1.9911,2.161;-1.2618,-.7878,1.7786;-1.3988,-2.2675,.7928;-.9012,-2.6182,7.7101;-1.4758,-.5148,6.7632;-2.3531,.0786,6.4844;-3.0257,-1.8475,7.8824;-.4756,.1147,11.778;-.0963,.4259,12.7671;-.6206,-.9818,11.7881;-1.4643,.5708,11.6085;.49,.5119,10.6625;.6355,1.6116,10.6757;1.4859,.068,10.8649;.0389,.0605,9.265;-.2088,-1.016,9.2863;.8787,.1694,8.5518;-1.1387,.8656,8.7296;-2.185,1.0177,9.3505;-.8613,1.5973,7.9294;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605355073742</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">0.006479340348 0.000867156380 0.024350068988 0.008703383613</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="126">-0.001333912 -0.001041066 0.000148272 0.000214426 0.000459329 0.000821443 0.001246916 0.001863215 0.001995481 0.002401221 0.003030952 0.003728846 0.004573285 0.004899141 0.005583929 0.006907743 0.007216708 0.008122616 0.009896120 0.010089220 0.011767747 0.013024005 0.015222342 0.019300795 0.021156859 0.024456232 0.027367083 0.028021187 0.031753002 0.034143755 0.036618112 0.037519100 0.040385259 0.041811606 0.045833177 0.046433848 0.046685886 0.049442361 0.051883375 0.052223332 0.055086735 0.056956144 0.058501967 0.059478365 0.061383395 0.067314559 0.069479955 0.070092121 0.072607445 0.074106020 0.077517050 0.078268944 0.079859525 0.082366814 0.082646817 0.089625749 0.092644497 0.099367544 0.100670358 0.106430192 0.108114605 0.109471060 0.113943683 0.115358712 0.118890436 0.129871662 0.135364072 0.138109206 0.142452139 0.144902227 0.148313105 0.162446452 0.169028694 0.172220933 0.174852276 0.179739782 0.183923275 0.189340981 0.197373764 0.210097933 0.222903183 0.224716609 0.248737304 0.252575849 0.257735040 0.292631058 0.310722249 0.342328807 0.408335781 0.417951654 0.431386129 0.477468992 0.515752543 0.545716085 0.591657638 0.615776679 0.661529989 0.663316525 0.737447626 0.751181521 0.755267759 0.757102523 0.770959384 0.778932881 0.787154399 0.797505730 0.798469727 0.805743928 0.814921381 0.821392440 0.823257131 0.847383864 0.850508775 0.853860962 0.865082739 0.868408772 0.892452709 0.900828907 0.905270325 0.917258805 0.919313671 0.933744747 0.948998294 0.978087264 1.521902373 1.582592740</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="-3.64510567" y3="-1.57357812" z3="10.79547438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33393951" y3="-0.6450002" z3="10.28543343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36947576" y3="-1.48724034" z3="11.86291216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74759564" y3="-1.66196683" z3="10.73557231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96339834" y3="-2.77557946" z3="10.14948139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.22879189" y3="-3.71050666" z3="10.68373313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86659529" y3="-2.6696423" z3="10.21716187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32213903" y3="-2.96187049" z3="8.67521904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41395098" y3="-3.11703565" z3="8.57730371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.7981552" y3="-3.85033681" z3="8.28149057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72104465" y3="-1.72016936" z3="7.43443903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21149786" y3="-0.32073512" z3="5.99181713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57194985" y3="-0.94869044" z3="6.45418528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1449803" y3="0.73049167" z3="6.06277166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28681337" y3="-0.67924724" z3="4.49557747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68454221" y3="-0.4395791" z3="4.01130449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04437977" y3="-0.03281889" z3="4.01036419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61894249" y3="-2.14991762" z3="4.23864525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64142721" y3="-2.35471394" z3="4.60585724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04381643" y3="-2.7762262" z3="4.86207671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.49865373" y3="-2.58877696" z3="2.77564512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.67412688" y3="-3.68000325" z3="2.71324667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54118118" y3="-2.42697299" z3="2.42744218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46031568" y3="-1.87934199" z3="1.82186723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50711869" y3="-2.00793689" z3="2.1537735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26018849" y3="-0.79417915" z3="1.77724966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37839139" y3="-2.27782485" z3="0.79357741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90863491" y3="-2.61555113" z3="7.7000276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47691349" y3="-0.49719256" z3="6.78161381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35634691" y3="0.08922631" z3="6.49585484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0291273" y3="-1.84059523" z3="7.88471517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47166338" y3="0.09899261" z3="11.76602096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0947432" y3="0.40151049" z3="12.76379127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.60837709" y3="-0.99738503" z3="11.77268106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46167132" y3="0.54930763" z3="11.59855789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49250146" y3="0.50831684" z3="10.65373348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63170256" y3="1.60671758" z3="10.66997163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48710176" y3="0.07081061" z3="10.85984314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.04691797" y3="0.05886417" z3="9.2533663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.1933882" y3="-1.02075299" z3="9.27380112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88431393" y3="0.16402713" z3="8.54645982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13940139" y3="0.85045781" z3="8.71192022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18384617" y3="1.00184733" z3="9.34015067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86120855" y3="1.60018493" z3="7.92624164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6451,-1.5736,10.7955;-3.3339,-.645,10.2854;-3.3695,-1.4872,11.8629;-4.7476,-1.662,10.7356;-2.9634,-2.7756,10.1495;-3.2288,-3.7105,10.6837;-1.8666,-2.6696,10.2172;-3.3221,-2.9619,8.6752;-4.414,-3.117,8.5773;-2.7982,-3.8503,8.2815;-1.721,-1.7202,7.4344;-.2115,-.3207,5.9918;.5719,-.9487,6.4542;.145,.7305,6.0628;-.2868,-.6792,4.4956;.6845,-.4396,4.0113;-1.0444,-.0328,4.0104;-.6189,-2.1499,4.2386;-1.6414,-2.3547,4.6059;.0438,-2.7762,4.8621;-.4987,-2.5888,2.7756;-.6741,-3.68,2.7132;.5412,-2.427,2.4274;-1.4603,-1.8793,1.8219;-2.5071,-2.0079,2.1538;-1.2602,-.7942,1.7772;-1.3784,-2.2778,.7936;-.9086,-2.6156,7.7;-1.4769,-.4972,6.7816;-2.3563,.0892,6.4959;-3.0291,-1.8406,7.8847;-.4717,.099,11.766;-.0947,.4015,12.7638;-.6084,-.9974,11.7727;-1.4617,.5493,11.5986;.4925,.5083,10.6537;.6317,1.6067,10.67;1.4871,.0708,10.8598;.0469,.0589,9.2534;-.1934,-1.0208,9.2738;.8843,.164,8.5465;-1.1394,.8505,8.7119;-2.1838,1.0018,9.3402;-.8612,1.6002,7.9262;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605401558149</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">0.004767867869 0.000689080883 0.022661669371 0.008704453343</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="126">-0.002804149 -0.000010879 0.000151270 0.000313961 0.000511037 0.000820179 0.001246611 0.001863982 0.001998840 0.002413560 0.003032197 0.003727411 0.004577196 0.004922653 0.005601616 0.006904867 0.007216401 0.008124806 0.009892546 0.010088393 0.011767830 0.013026366 0.015213631 0.019295598 0.021174129 0.024461094 0.027395278 0.028081766 0.031771899 0.034143813 0.036618028 0.037556740 0.040389380 0.041850969 0.045869377 0.046446008 0.046695402 0.049438893 0.051882943 0.052222440 0.055086719 0.057084333 0.058519742 0.059486076 0.061447301 0.067314266 0.069484535 0.070094370 0.072606680 0.074534555 0.077516939 0.078266865 0.079878515 0.082382346 0.082751689 0.089625594 0.092643231 0.099375075 0.100672031 0.106442203 0.108584252 0.109543534 0.113948579 0.115358662 0.119028299 0.129871678 0.135368780 0.138115402 0.142492936 0.144924884 0.148386793 0.162444605 0.169028419 0.172225125 0.175053796 0.179793569 0.183927708 0.189341768 0.197377606 0.210109797 0.222933378 0.224704222 0.248904349 0.252586919 0.257994227 0.292726324 0.310723458 0.342334360 0.408389859 0.417974471 0.431389439 0.477472486 0.516285628 0.545733305 0.591664364 0.615776888 0.661530171 0.663441568 0.737448441 0.751183042 0.755268222 0.757106014 0.770963160 0.778933019 0.787159070 0.797506878 0.798599603 0.805743896 0.814921117 0.821392796 0.823262978 0.847385571 0.850510985 0.853923120 0.865087238 0.870497133 0.892454691 0.900834261 0.905278551 0.917529132 0.919323586 0.933747634 0.949784970 0.978150789 1.521928070 1.582620236</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="-3.63990882" y3="-1.57891275" z3="10.79111819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.32731915" y3="-0.65030004" z3="10.28228483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.36666031" y3="-1.49300347" z3="11.85906061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74232017" y3="-1.66481179" z3="10.72875835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.95962499" y3="-2.78216073" z3="10.14650809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.22777482" y3="-3.71618986" z3="10.68109786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86273032" y3="-2.67846775" z3="10.21496314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31689288" y3="-2.96791908" z3="8.67188026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40836549" y3="-3.12533624" z3="8.57357393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.79116232" y3="-3.85562335" z3="8.27903241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71521377" y3="-1.72432448" z3="7.43248321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20446561" y3="-0.32998145" z3="5.98784006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5755478" y3="-0.95964896" z3="6.45432897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.15312274" y3="0.7210437" z3="6.06260702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27221683" y3="-0.68598249" z3="4.4904388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70343006" y3="-0.45412472" z3="4.01152648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02204522" y3="-0.03301439" z3="4.00218992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61658091" y3="-2.15305599" z3="4.23202801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63848615" y3="-2.34952308" z3="4.60448129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04405123" y3="-2.78571311" z3="4.85135774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50834773" y3="-2.58988293" z3="2.76789392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69260853" y3="-3.67930661" z3="2.70500322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53006025" y3="-2.43525496" z3="2.41322827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47108405" y3="-1.87180937" z3="1.82187797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51592226" y3="-1.9913172" z3="2.16218446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26196418" y3="-0.7887872" z3="1.77585623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40105305" y3="-2.27036276" z3="0.79309899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90073871" y3="-2.61549488" z3="7.70997588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47570095" y3="-0.51104971" z3="6.76570104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35363186" y3="0.079077" z3="6.48269926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02566199" y3="-1.84666759" z3="7.88187244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47778234" y3="0.11302796" z3="11.77690577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09940833" y3="0.41851783" z3="12.77174071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.6221444" y3="-0.98231957" z3="11.78696598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46526584" y3="0.56913767" z3="11.60789675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48944773" y3="0.51217064" z3="10.66373354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63868758" y3="1.60963761" z3="10.67905565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48122662" y3="0.06583608" z3="10.86850695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03950587" y3="0.06536301" z3="9.26350909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.20920184" y3="-1.01192443" z3="9.28229601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87728081" y3="0.16742615" z3="8.55413981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13940994" y3="0.86771278" z3="8.72643671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18495247" y3="1.02104263" z3="9.34777486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86407624" y3="1.60166521" z3="7.92646017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6399,-1.5789,10.7911;-3.3273,-.6503,10.2823;-3.3667,-1.493,11.8591;-4.7423,-1.6648,10.7288;-2.9596,-2.7822,10.1465;-3.2278,-3.7162,10.6811;-1.8627,-2.6785,10.215;-3.3169,-2.9679,8.6719;-4.4084,-3.1253,8.5736;-2.7912,-3.8556,8.279;-1.7152,-1.7243,7.4325;-.2045,-.33,5.9878;.5755,-.9596,6.4543;.1531,.721,6.0626;-.2722,-.686,4.4904;.7034,-.4541,4.0115;-1.022,-.033,4.0022;-.6166,-2.1531,4.232;-1.6385,-2.3495,4.6045;.0441,-2.7857,4.8514;-.5083,-2.5899,2.7679;-.6926,-3.6793,2.705;.5301,-2.4353,2.4132;-1.4711,-1.8718,1.8219;-2.5159,-1.9913,2.1622;-1.262,-.7888,1.7759;-1.4011,-2.2704,.7931;-.9007,-2.6155,7.71;-1.4757,-.511,6.7657;-2.3536,.0791,6.4827;-3.0257,-1.8467,7.8819;-.4778,.113,11.7769;-.0994,.4185,12.7717;-.6221,-.9823,11.787;-1.4653,.5691,11.6079;.4894,.5122,10.6637;.6387,1.6096,10.6791;1.4812,.0658,10.8685;.0395,.0654,9.2635;-.2092,-1.0119,9.2823;.8773,.1674,8.5541;-1.1394,.8677,8.7264;-2.185,1.021,9.3478;-.8641,1.6017,7.9265;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605378375323</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">0.002184312118 0.000326360944 0.031222847036 0.008704330694</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="126">-0.005750219 -0.002105918 0.000152097 0.000317611 0.000372189 0.000801107 0.001001608 0.001886907 0.002026156 0.002361894 0.003027609 0.003688640 0.004554046 0.004719434 0.005458295 0.006844498 0.007197958 0.008105607 0.009717224 0.010085592 0.011766954 0.012991560 0.015054191 0.019168358 0.021083725 0.024487695 0.026976850 0.028044710 0.031622863 0.034132659 0.036635303 0.037592733 0.040408195 0.041875662 0.045755950 0.046469526 0.046713698 0.049201740 0.051867035 0.052225788 0.055012321 0.057631838 0.058487787 0.059500259 0.061607213 0.067313615 0.069347548 0.070117528 0.072567719 0.075562247 0.077525951 0.078208546 0.079796823 0.082267806 0.082835522 0.089607687 0.092572443 0.099399946 0.100656959 0.106414165 0.109165194 0.110939261 0.113967284 0.115356124 0.119813376 0.129872642 0.135397240 0.138143083 0.142697915 0.145111635 0.148761056 0.162413811 0.169029785 0.172260753 0.175793781 0.180270498 0.183936971 0.189344943 0.197388873 0.210145515 0.222901481 0.224966127 0.249025074 0.252663502 0.259987148 0.292926778 0.310730447 0.342344072 0.408678858 0.418067144 0.431385991 0.477484321 0.517256523 0.545769690 0.591695144 0.615783204 0.661534701 0.663953163 0.737549952 0.751194457 0.755275265 0.757266856 0.770965649 0.778940909 0.787164421 0.797506489 0.799202737 0.805748507 0.814940827 0.821392437 0.823264324 0.847386571 0.850521331 0.854034409 0.865087191 0.880028122 0.892463075 0.900829340 0.905268693 0.918243197 0.919391655 0.933752062 0.952050767 0.978249763 1.522534095 1.584593846</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="-3.64468657" y3="-1.58131284" z3="10.78717643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.32750588" y3="-0.65305992" z3="10.27985845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37525209" y3="-1.49759093" z3="11.85628829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.74694832" y3="-1.66580052" z3="10.72050961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96348497" y3="-2.78482844" z3="10.14397802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23420537" y3="-3.7195835" z3="10.67595147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86680926" y3="-2.68200091" z3="10.21741223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31566907" y3="-2.96890674" z3="8.66812452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4068953" y3="-3.12357664" z3="8.56475906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.78985683" y3="-3.85648256" z3="8.27503197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7099722" y3="-1.72499041" z3="7.43638528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19784682" y3="-0.32619052" z3="5.99637083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58472082" y3="-0.9577414" z3="6.45612982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.16297164" y3="0.72374697" z3="6.06709806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27966475" y3="-0.68309458" z3="4.49973624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69238565" y3="-0.45062579" z3="4.01382438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03283252" y3="-0.02998478" z3="4.01675046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62414209" y3="-2.15037589" z3="4.24063855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64683688" y3="-2.34809532" z3="4.61040854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03559186" y3="-2.78339532" z3="4.86042352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51281071" y3="-2.58668413" z3="2.77642703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69750428" y3="-3.67588355" z3="2.71283085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52663812" y3="-2.43266701" z3="2.42456587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47208349" y3="-1.86810819" z3="1.82756521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51809885" y3="-1.98623667" z3="2.16490021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26134608" y3="-0.78549076" z3="1.78116407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3997335" y3="-2.26754238" z3="0.79942873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89943082" y3="-2.62156512" z3="7.70012322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46176734" y3="-0.49709873" z3="6.79077783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.34203432" y3="0.08543525" z3="6.49832643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01895721" y3="-1.84604545" z3="7.88061675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.47818247" y3="0.12118306" z3="11.76940433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10258984" y3="0.43562872" z3="12.76177689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.61719034" y3="-0.97509077" z3="11.78651771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46718938" y3="0.57125374" z3="11.59479046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.48780984" y3="0.5179848" z3="10.65396675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.6260677" y3="1.61729603" z3="10.65884012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48406605" y3="0.08323052" z3="10.86560473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.04588241" y3="0.05207623" z3="9.25748612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.19463055" y3="-1.02596313" z3="9.29105185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8880364" y3="0.15423991" z3="8.55104077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1387955" y3="0.83842256" z3="8.70312256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18716812" y3="0.98981978" z3="9.32738058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85041057" y3="1.59508264" z3="7.92780804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6447,-1.5813,10.7872;-3.3275,-.6531,10.2799;-3.3753,-1.4976,11.8563;-4.7469,-1.6658,10.7205;-2.9635,-2.7848,10.144;-3.2342,-3.7196,10.676;-1.8668,-2.682,10.2174;-3.3157,-2.9689,8.6681;-4.4069,-3.1236,8.5648;-2.7899,-3.8565,8.275;-1.71,-1.725,7.4364;-.1978,-.3262,5.9964;.5847,-.9577,6.4561;.163,.7237,6.0671;-.2797,-.6831,4.4997;.6924,-.4506,4.0138;-1.0328,-.03,4.0168;-.6241,-2.1504,4.2406;-1.6468,-2.3481,4.6104;.0356,-2.7834,4.8604;-.5128,-2.5867,2.7764;-.6975,-3.6759,2.7128;.5266,-2.4327,2.4246;-1.4721,-1.8681,1.8276;-2.5181,-1.9862,2.1649;-1.2613,-.7855,1.7812;-1.3997,-2.2675,.7994;-.8994,-2.6216,7.7001;-1.4618,-.4971,6.7908;-2.342,.0854,6.4983;-3.019,-1.846,7.8806;-.4782,.1212,11.7694;-.1026,.4356,12.7618;-.6172,-.9751,11.7865;-1.4672,.5713,11.5948;.4878,.518,10.654;.6261,1.6173,10.6588;1.4841,.0832,10.8656;.0459,.0521,9.2575;-.1946,-1.026,9.2911;.888,.1542,8.551;-1.1388,.8384,8.7031;-2.1872,.9898,9.3274;-.8504,1.5951,7.9278;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605512293560</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">0.001821139111 0.000222991780 0.032686754949 0.008703317461</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="126">-0.005838161 -0.002721783 0.000152648 0.000310956 0.000367813 0.000803195 0.001026957 0.001894328 0.002023868 0.002364990 0.003028069 0.003689813 0.004555669 0.004730226 0.005461249 0.006840751 0.007197041 0.008104786 0.009698886 0.010085782 0.011766316 0.012989507 0.015037352 0.019158632 0.021078208 0.024488528 0.026949696 0.028041190 0.031611692 0.034129951 0.036635337 0.037591372 0.040408972 0.041880041 0.045737620 0.046466019 0.046711588 0.049187940 0.051865379 0.052224794 0.054997835 0.057635741 0.058484792 0.059500191 0.061601215 0.067313901 0.069326222 0.070121831 0.072563025 0.075549154 0.077526730 0.078203718 0.079786769 0.082247361 0.082833138 0.089608162 0.092553263 0.099398094 0.100651833 0.106410842 0.109156611 0.110936935 0.113964617 0.115355614 0.119811976 0.129872734 0.135396958 0.138143544 0.142698720 0.145109442 0.148760999 0.162409774 0.169028881 0.172260417 0.175790094 0.180262256 0.183935704 0.189344115 0.197387890 0.210140409 0.222888144 0.224963733 0.248917533 0.252667727 0.259997218 0.292927009 0.310729957 0.342338264 0.408680896 0.418065242 0.431385270 0.477482477 0.517179154 0.545768672 0.591694818 0.615782162 0.661534514 0.663943269 0.737546141 0.751194198 0.755274803 0.757256668 0.770965429 0.778939178 0.787163736 0.797506464 0.799155801 0.805748125 0.814940635 0.821392464 0.823259048 0.847386510 0.850506409 0.854035183 0.865077826 0.880040286 0.892459878 0.900828389 0.905265861 0.918230600 0.919357532 0.933748224 0.951946844 0.978254930 1.522444951 1.584542030</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="-3.64903678" y3="-1.58172554" z3="10.78351629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.32712012" y3="-0.65458498" z3="10.27663636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38337927" y3="-1.49906732" z3="11.85361746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7510917" y3="-1.66483096" z3="10.71286496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96714676" y3="-2.78605245" z3="10.14283985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24017592" y3="-3.72076127" z3="10.67355823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87070571" y3="-2.68398289" z3="10.22048394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31504201" y3="-2.97035038" z3="8.66626925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40596105" y3="-3.12239523" z3="8.55893817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.78964043" y3="-3.85810537" z3="8.27367953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70609886" y3="-1.72734702" z3="7.43974622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19240747" y3="-0.32301346" z3="6.00518933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59265567" y3="-0.95665893" z3="6.45773754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.17149285" y3="0.72572365" z3="6.0726085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28715308" y3="-0.67995744" z3="4.50898108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68148307" y3="-0.44586433" z3="4.01710917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04357722" y3="-0.02715939" z3="4.03076473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62972943" y3="-2.14765763" z3="4.2478773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65263066" y3="-2.34854136" z3="4.61557434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03071637" y3="-2.78051985" z3="4.8670298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51560215" y3="-2.58220014" z3="2.78293158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69892108" y3="-3.67163642" z3="2.71770217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52445816" y3="-2.42709757" z3="2.43343636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47300043" y3="-1.86339646" z3="1.83233197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51994279" y3="-1.98334754" z3="2.16586022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26335687" y3="-0.78053188" z3="1.78837749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3965658" y3="-2.26110902" z3="0.80367116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89958567" y3="-2.62951401" z3="7.68856603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44886994" y3="-0.48396665" z3="6.81649097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33167986" y3="0.09027108" z3="6.51374401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01324899" y3="-1.8470066" z3="7.87959938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4780225" y3="0.13137166" z3="11.76193003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.10405039" y3="0.45533178" z3="12.75257458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.61084689" y3="-0.96567157" z3="11.7894674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4701802" y3="0.57466777" z3="11.58301732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.4864116" y3="0.52303781" z3="10.64340068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.6164777" y3="1.62338105" z3="10.6364265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.48554625" y3="0.0981006" z3="10.8627088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.05119991" y3="0.03744036" z3="9.25145934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.1813306" y3="-1.04231152" z3="9.30086135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89575627" y3="0.13505196" z3="8.54817353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13963684" y3="0.80709581" z3="8.67946803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19054345" y3="0.95713302" z3="9.30650132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83827869" y3="1.5871459" z3="7.92865056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.649,-1.5817,10.7835;-3.3271,-.6546,10.2766;-3.3834,-1.4991,11.8536;-4.7511,-1.6648,10.7129;-2.9671,-2.7861,10.1428;-3.2402,-3.7208,10.6736;-1.8707,-2.684,10.2205;-3.315,-2.9704,8.6663;-4.406,-3.1224,8.5589;-2.7896,-3.8581,8.2737;-1.7061,-1.7273,7.4397;-.1924,-.323,6.0052;.5927,-.9567,6.4577;.1715,.7257,6.0726;-.2872,-.68,4.509;.6815,-.4459,4.0171;-1.0436,-.0272,4.0308;-.6297,-2.1477,4.2479;-1.6526,-2.3485,4.6156;.0307,-2.7805,4.867;-.5156,-2.5822,2.7829;-.6989,-3.6716,2.7177;.5245,-2.4271,2.4334;-1.473,-1.8634,1.8323;-2.5199,-1.9833,2.1659;-1.2634,-.7805,1.7884;-1.3966,-2.2611,.8037;-.8996,-2.6295,7.6886;-1.4489,-.484,6.8165;-2.3317,.0903,6.5137;-3.0132,-1.847,7.8796;-.478,.1314,11.7619;-.1041,.4553,12.7526;-.6108,-.9657,11.7895;-1.4702,.5747,11.583;.4864,.523,10.6434;.6165,1.6234,10.6364;1.4855,.0981,10.8627;.0512,.0374,9.2515;-.1813,-1.0423,9.3009;.8958,.1351,8.5482;-1.1396,.8071,8.6795;-2.1905,.9571,9.3065;-.8383,1.5871,7.9287;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605758451766</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">0.002944124044 0.000519915480 0.029923917487 0.008703572485</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="126">-0.007253233 -0.002727973 0.000152485 0.000326532 0.000369234 0.000809632 0.001082339 0.001917231 0.002036249 0.002370276 0.003027239 0.003691712 0.004563197 0.004748975 0.005460721 0.006842099 0.007196823 0.008107571 0.009693607 0.010091141 0.011766917 0.012990182 0.015034581 0.019159523 0.021078355 0.024490063 0.026952054 0.028041578 0.031616124 0.034130854 0.036635555 0.037593775 0.040408603 0.041882422 0.045735155 0.046466496 0.046712172 0.049188495 0.051865187 0.052223883 0.054994025 0.057636871 0.058485832 0.059499356 0.061611790 0.067314478 0.069322535 0.070126209 0.072561993 0.075550893 0.077526006 0.078204804 0.079785654 0.082243972 0.082836037 0.089619600 0.092546409 0.099396960 0.100650323 0.106410994 0.109156677 0.110937956 0.113964716 0.115355648 0.119814039 0.129873170 0.135397702 0.138143914 0.142702999 0.145112093 0.148758917 0.162407702 0.169028117 0.172260861 0.175791702 0.180262148 0.183935039 0.189346177 0.197387184 0.210139699 0.222893019 0.224958591 0.248868061 0.252668974 0.259987679 0.292926420 0.310730027 0.342337589 0.408676444 0.418065726 0.431384765 0.477482327 0.517180179 0.545766941 0.591694452 0.615781872 0.661530815 0.663947482 0.737542436 0.751188572 0.755260993 0.757212966 0.770965441 0.778937525 0.787163139 0.797506601 0.799156095 0.805748085 0.814940709 0.821392675 0.823250182 0.847385486 0.850505927 0.854032232 0.865079340 0.879978568 0.892460104 0.900827942 0.905265280 0.918231406 0.919358254 0.933747865 0.951897414 0.978258780 1.522191928 1.584360413</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="-3.66109084" y3="-1.57848924" z3="10.78183801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33263875" y3="-0.65295653" z3="10.27644428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40535768" y3="-1.49523103" z3="11.85433371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7625718" y3="-1.65974702" z3="10.70097383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97573831" y3="-2.78496607" z3="10.1490199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2514886" y3="-3.71757818" z3="10.68222354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87968558" y3="-2.68221758" z3="10.2325042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31602694" y3="-2.97629734" z3="8.67151521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40603293" y3="-3.13200595" z3="8.56037489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.7860775" y3="-3.86404474" z3="8.28568884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70636578" y3="-1.73967285" z3="7.4374069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.1939751" y3="-0.3270166" z3="6.00435758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59526628" y3="-0.95880895" z3="6.45182916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1646051" y3="0.72309761" z3="6.0756754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29076053" y3="-0.67808266" z3="4.50711039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67416859" y3="-0.43616137" z3="4.01138255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05346467" y3="-0.02804236" z3="4.03477577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62514402" y3="-2.14723569" z3="4.24293987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64626106" y3="-2.35451228" z3="4.61197772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03965976" y3="-2.77798867" z3="4.85971087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51077755" y3="-2.57612507" z3="2.77655379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.68998676" y3="-3.66598298" z3="2.70648527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52830879" y3="-2.41527785" z3="2.42703073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47109369" y3="-1.85518324" z3="1.8310567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5182067" y3="-1.98604324" z3="2.16058127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26921072" y3="-0.77018547" z3="1.8003771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38846555" y3="-2.24034797" z3="0.79814037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90202514" y3="-2.64453434" z3="7.68102769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44877685" y3="-0.4951554" z3="6.81695744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.33132984" y3="0.08129949" z3="6.5195533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01305668" y3="-1.85596058" z3="7.8811115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46797881" y3="0.14857176" z3="11.76409531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08948485" y3="0.48525569" z3="12.75071847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.60226595" y3="-0.94659853" z3="11.80892089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46030862" y3="0.5904526" z3="11.58211305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49464728" y3="0.52502299" z3="10.6384314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62611224" y3="1.62403863" z3="10.61543791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49260459" y3="0.10158239" z3="10.86062421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.05166829" y3="0.02467735" z3="9.25417707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.18384028" y3="-1.05460119" z3="9.31593352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88985562" y3="0.10996659" z3="8.54573333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13934303" y3="0.79370837" z3="8.68308771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19092574" y3="0.94441536" z3="9.30744659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83550149" y3="1.57434944" z3="7.93469563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6611,-1.5785,10.7818;-3.3326,-.653,10.2764;-3.4054,-1.4952,11.8543;-4.7626,-1.6597,10.701;-2.9757,-2.785,10.149;-3.2515,-3.7176,10.6822;-1.8797,-2.6822,10.2325;-3.316,-2.9763,8.6715;-4.406,-3.132,8.5604;-2.7861,-3.864,8.2857;-1.7064,-1.7397,7.4374;-.194,-.327,6.0044;.5953,-.9588,6.4518;.1646,.7231,6.0757;-.2908,-.6781,4.5071;.6742,-.4362,4.0114;-1.0535,-.028,4.0348;-.6251,-2.1472,4.2429;-1.6463,-2.3545,4.612;.0397,-2.778,4.8597;-.5108,-2.5761,2.7766;-.69,-3.666,2.7065;.5283,-2.4153,2.427;-1.4711,-1.8552,1.8311;-2.5182,-1.986,2.1606;-1.2692,-.7702,1.8004;-1.3885,-2.2403,.7981;-.902,-2.6445,7.681;-1.4488,-.4952,6.817;-2.3313,.0813,6.5196;-3.0131,-1.856,7.8811;-.468,.1486,11.7641;-.0895,.4853,12.7507;-.6023,-.9466,11.8089;-1.4603,.5905,11.5821;.4946,.525,10.6384;.6261,1.624,10.6154;1.4926,.1016,10.8606;.0517,.0247,9.2542;-.1838,-1.0546,9.3159;.8899,.11,8.5457;-1.1393,.7937,8.6831;-2.1909,.9444,9.3074;-.8355,1.5743,7.9347;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605758432901</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">0.006923477989 0.001027332194 0.032024191845 0.008703848988</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="126">-0.006330933 0.000122879 0.000155450 0.000362198 0.000480394 0.000814885 0.001239927 0.001939456 0.002047148 0.002384143 0.003026503 0.003714226 0.004566883 0.004777473 0.005520500 0.006887790 0.007215485 0.008118192 0.009943023 0.010091716 0.011767228 0.012990584 0.015085005 0.019180105 0.021094921 0.024492563 0.026998115 0.028040211 0.031631222 0.034128806 0.036635620 0.037593438 0.040408487 0.041905365 0.045740582 0.046468672 0.046719403 0.049231935 0.051878325 0.052223170 0.055008296 0.057650163 0.058485933 0.059498803 0.061618577 0.067314982 0.069322707 0.070130407 0.072568202 0.075580447 0.077526546 0.078253057 0.079787116 0.082242565 0.082839992 0.089614741 0.092558726 0.099402243 0.100651376 0.106412032 0.109158306 0.111042637 0.113968706 0.115355594 0.119865412 0.129874011 0.135402451 0.138148636 0.142819011 0.145132583 0.148834504 0.162413694 0.169028038 0.172274698 0.175832431 0.180276618 0.183935314 0.189346649 0.197387329 0.210137728 0.222895001 0.224957227 0.248858717 0.252684706 0.260139906 0.292926132 0.310729864 0.342340428 0.408786631 0.418078000 0.431384303 0.477483944 0.517287462 0.545772404 0.591699709 0.615781829 0.661551237 0.664116192 0.737544111 0.751188416 0.755276080 0.757234792 0.770966900 0.778938101 0.787162195 0.797507726 0.799209927 0.805748047 0.814941470 0.821394050 0.823259164 0.847388849 0.850514454 0.854036368 0.865081348 0.882307469 0.892463014 0.900828361 0.905265667 0.918261075 0.919370663 0.933748594 0.952444009 0.978260536 1.522475215 1.585239496</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="-3.65812848" y3="-1.5810402" z3="10.78420426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33280439" y3="-0.65427335" z3="10.27980843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40023067" y3="-1.49799021" z3="11.85617826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.75969969" y3="-1.66230722" z3="10.70569044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9737272" y3="-2.78655697" z3="10.14849378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24942845" y3="-3.71934986" z3="10.68101514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8776381" y3="-2.68460244" z3="10.22983862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31576772" y3="-2.97502969" z3="8.67088424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40591257" y3="-3.13262419" z3="8.56168007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.785503" y3="-3.86213705" z3="8.28354667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7076315" y3="-1.73530454" z3="7.43590865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.197821" y3="-0.32943563" z3="5.99566512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58877529" y3="-0.9594278" z3="6.45062053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.15900224" y3="0.72170851" z3="6.06884616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28281283" y3="-0.68168763" z3="4.498111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68609569" y3="-0.44344" z3="4.00870805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04072622" y3="-0.03040597" z3="4.02017263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62168023" y3="-2.14982876" z3="4.2364257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64287448" y3="-2.35222483" z3="4.60767485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0417799" y3="-2.78148094" z3="4.85378375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51086966" y3="-2.58204262" z3="2.77089028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69386336" y3="-3.67148027" z3="2.70356761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52811796" y3="-2.42529894" z3="2.41906443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47130151" y3="-1.86025679" z3="1.82571863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5176265" y3="-1.98574046" z3="2.159082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26527876" y3="-0.77634841" z3="1.79058539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39381177" y3="-2.24948514" z3="0.7939378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89866786" y3="-2.63374514" z3="7.69628275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.45952766" y3="-0.50595412" z3="6.792604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.34055001" y3="0.07698678" z3="6.50355978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01648369" y3="-1.85406236" z3="7.88219092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46624052" y3="0.14022138" z3="11.77310057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08720681" y3="0.46888606" z3="12.76055299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.60264121" y3="-0.95604085" z3="11.80735041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45803758" y3="0.58578742" z3="11.59603111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49604918" y3="0.52219319" z3="10.64968822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63459167" y3="1.6211692" z3="10.63948578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49267027" y3="0.09023932" z3="10.8636629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.04675242" y3="0.04074343" z3="9.26129598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.19619936" y3="-1.03688069" z3="9.30733678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88381196" y3="0.13170731" z3="8.54970095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13860109" y3="0.82573256" z3="8.70673826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.187802" y3="0.9760659" z3="9.32943971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84891246" y3="1.58442934" z3="7.93324928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6581,-1.581,10.7842;-3.3328,-.6543,10.2798;-3.4002,-1.498,11.8562;-4.7597,-1.6623,10.7057;-2.9737,-2.7866,10.1485;-3.2494,-3.7193,10.681;-1.8776,-2.6846,10.2298;-3.3158,-2.975,8.6709;-4.4059,-3.1326,8.5617;-2.7855,-3.8621,8.2835;-1.7076,-1.7353,7.4359;-.1978,-.3294,5.9957;.5888,-.9594,6.4506;.159,.7217,6.0688;-.2828,-.6817,4.4981;.6861,-.4434,4.0087;-1.0407,-.0304,4.0202;-.6217,-2.1498,4.2364;-1.6429,-2.3522,4.6077;.0418,-2.7815,4.8538;-.5109,-2.582,2.7709;-.6939,-3.6715,2.7036;.5281,-2.4253,2.4191;-1.4713,-1.8603,1.8257;-2.5176,-1.9857,2.1591;-1.2653,-.7763,1.7906;-1.3938,-2.2495,.7939;-.8987,-2.6337,7.6963;-1.4595,-.506,6.7926;-2.3406,.077,6.5036;-3.0165,-1.8541,7.8822;-.4662,.1402,11.7731;-.0872,.4689,12.7606;-.6026,-.956,11.8074;-1.458,.5858,11.596;.496,.5222,10.6497;.6346,1.6212,10.6395;1.4927,.0902,10.8637;.0468,.0407,9.2613;-.1962,-1.0369,9.3073;.8838,.1317,8.5497;-1.1386,.8257,8.7067;-2.1878,.9761,9.3294;-.8489,1.5844,7.9332;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605532305526</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">0.002191263844 0.000431206141 0.031830198816 0.008704351463</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="126">-0.004733487 0.000145131 0.000224534 0.000357591 0.000498643 0.000814671 0.001243214 0.001923686 0.002045725 0.002372918 0.003028763 0.003706994 0.004572131 0.004783633 0.005505109 0.006867268 0.007208111 0.008110775 0.009817361 0.010090863 0.011767742 0.012989349 0.015051304 0.019158138 0.021085210 0.024487499 0.026946890 0.028040362 0.031606007 0.034127433 0.036638531 0.037605341 0.040408190 0.041903161 0.045741228 0.046471930 0.046719762 0.049187527 0.051868652 0.052223474 0.054986420 0.057637607 0.058484733 0.059498924 0.061611669 0.067314558 0.069316304 0.070126566 0.072562706 0.075564642 0.077528029 0.078209548 0.079783482 0.082240215 0.082837373 0.089616994 0.092527474 0.099396395 0.100641681 0.106407777 0.109157492 0.111012435 0.113967295 0.115355666 0.119845277 0.129873628 0.135398798 0.138145223 0.142739602 0.145150818 0.148812696 0.162409247 0.169028132 0.172267603 0.175807360 0.180271541 0.183935930 0.189345410 0.197388299 0.210142812 0.222891864 0.224955056 0.248855187 0.252681881 0.260103562 0.292930686 0.310729909 0.342341607 0.408765593 0.418076490 0.431386062 0.477486389 0.517343673 0.545771170 0.591699422 0.615782202 0.661549034 0.664097744 0.737547722 0.751190710 0.755277797 0.757239579 0.770967098 0.778938153 0.787163632 0.797508500 0.799213984 0.805748318 0.814941491 0.821395782 0.823255342 0.847388940 0.850514713 0.854035533 0.865080951 0.882186827 0.892464214 0.900828955 0.905269166 0.918261529 0.919369536 0.933748890 0.952419730 0.978261813 1.522469518 1.585227544</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="-3.65898941" y3="-1.58604855" z3="10.7845441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33595769" y3="-0.65798648" z3="10.28152607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40149536" y3="-1.50268318" z3="11.85661476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76062084" y3="-1.66785825" z3="10.70558591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97342926" y3="-2.79082373" z3="10.14838797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2499741" y3="-3.72396461" z3="10.68008305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87732987" y3="-2.68893079" z3="10.23051112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31357553" y3="-2.97719213" z3="8.66985762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4033928" y3="-3.13912403" z3="8.55980016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77972065" y3="-3.86249417" z3="8.28241188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70653527" y3="-1.73263265" z3="7.4370124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.19927598" y3="-0.3359053" z3="5.98821592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58312015" y3="-0.9667487" z3="6.44965182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.15850843" y3="0.71513795" z3="6.06465812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27418518" y3="-0.6867659" z3="4.48985718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69868099" y3="-0.45229632" z3="4.0062407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02744916" y3="-0.03265864" z3="4.00804613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6195931" y3="-2.15309286" z3="4.22812513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64117892" y3="-2.34995562" z3="4.60139947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04177286" y3="-2.7879041" z3="4.84438862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51309592" y3="-2.58583562" z3="2.76260535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70158862" y3="-3.67419784" z3="2.69603198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52595067" y3="-2.43402532" z3="2.40856099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47324404" y3="-1.86115309" z3="1.81889711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51866299" y3="-1.97919648" z3="2.15825407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26108401" y3="-0.77833308" z3="1.77694137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40417491" y3="-2.25625904" z3="0.78857467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89240873" y3="-2.62355549" z3="7.71719072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46807112" y3="-0.51927757" z3="6.76929628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.34730899" y3="0.06993371" z3="6.48787596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01830062" y3="-1.85482588" z3="7.88347288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46377805" y3="0.13891131" z3="11.78443598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08435054" y3="0.46267572" z3="12.77210558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.6057474" y3="-0.95656121" z3="11.8125049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45231059" y3="0.58990077" z3="11.60917498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49911597" y3="0.52274786" z3="10.66181624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.64669746" y3="1.62118294" z3="10.66088635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49333835" y3="0.08032134" z3="10.86766097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.04234117" y3="0.05696566" z3="9.26960738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.20870053" y3="-1.01915102" z3="9.30349845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87777889" y3="0.1505091" z3="8.55454504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13672665" y3="0.85743245" z3="8.73035898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18411118" y3="1.0078961" z3="9.34912631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85929871" y3="1.59321002" z3="7.93203218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.659,-1.586,10.7845;-3.336,-.658,10.2815;-3.4015,-1.5027,11.8566;-4.7606,-1.6679,10.7056;-2.9734,-2.7908,10.1484;-3.25,-3.724,10.6801;-1.8773,-2.6889,10.2305;-3.3136,-2.9772,8.6699;-4.4034,-3.1391,8.5598;-2.7797,-3.8625,8.2824;-1.7065,-1.7326,7.437;-.1993,-.3359,5.9882;.5831,-.9667,6.4497;.1585,.7151,6.0647;-.2742,-.6868,4.4899;.6987,-.4523,4.0062;-1.0274,-.0327,4.008;-.6196,-2.1531,4.2281;-1.6412,-2.35,4.6014;.0418,-2.7879,4.8444;-.5131,-2.5858,2.7626;-.7016,-3.6742,2.696;.526,-2.434,2.4086;-1.4732,-1.8612,1.8189;-2.5187,-1.9792,2.1583;-1.2611,-.7783,1.7769;-1.4042,-2.2563,.7886;-.8924,-2.6236,7.7172;-1.4681,-.5193,6.7693;-2.3473,.0699,6.4879;-3.0183,-1.8548,7.8835;-.4638,.1389,11.7844;-.0844,.4627,12.7721;-.6057,-.9566,11.8125;-1.4523,.5899,11.6092;.4991,.5227,10.6618;.6467,1.6212,10.6609;1.4933,.0803,10.8677;.0423,.057,9.2696;-.2087,-1.0192,9.3035;.8778,.1505,8.5545;-1.1367,.8574,8.7304;-2.1841,1.0079,9.3491;-.8593,1.5932,7.932;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605410989201</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">0.002196106144 0.000343067347 0.029346454171 0.008703638472</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="126">-0.003064689 0.000151569 0.000206242 0.000267337 0.000406350 0.000798716 0.001246930 0.001927433 0.002044480 0.002379836 0.003035108 0.003716962 0.004573260 0.004793554 0.005514806 0.006862187 0.007198465 0.008113003 0.009807006 0.010091973 0.011775606 0.012993089 0.015029280 0.019149886 0.021081370 0.024485250 0.026924693 0.028040415 0.031595073 0.034127535 0.036645866 0.037643001 0.040408877 0.041902440 0.045756020 0.046480184 0.046733065 0.049179118 0.051866565 0.052224615 0.054981146 0.057634013 0.058484975 0.059499644 0.061610986 0.067313804 0.069318812 0.070124494 0.072561334 0.075565003 0.077527999 0.078201391 0.079783997 0.082239919 0.082836390 0.089614402 0.092540998 0.099400682 0.100650349 0.106406642 0.109160464 0.111010396 0.113969931 0.115355928 0.119842526 0.129873295 0.135398032 0.138146763 0.142729372 0.145161535 0.148815220 0.162410627 0.169029399 0.172267385 0.175804834 0.180272318 0.183941684 0.189344553 0.197389076 0.210147877 0.222889808 0.224962899 0.248995423 0.252679988 0.260103515 0.292938370 0.310731856 0.342345682 0.408763896 0.418077461 0.431395149 0.477488257 0.517475699 0.545784669 0.591705462 0.615783319 0.661549889 0.664199686 0.737549076 0.751193688 0.755302682 0.757266018 0.770967847 0.778947523 0.787167096 0.797509076 0.799228742 0.805750794 0.814941559 0.821395889 0.823291488 0.847388822 0.850515065 0.854035126 0.865081303 0.882190580 0.892463809 0.900829961 0.905269544 0.918262430 0.919368391 0.933749583 0.952427031 0.978286279 1.522993824 1.585465110</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="-3.65529065" y3="-1.59160903" z3="10.78108113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33239587" y3="-0.66263103" z3="10.28018285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.3985152" y3="-1.51008117" z3="11.85349819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.75682474" y3="-1.67154969" z3="10.70141053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97144207" y3="-2.79614754" z3="10.14296588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2499751" y3="-3.72940034" z3="10.67325864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87530194" y3="-2.69646899" z3="10.22482108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31187565" y3="-2.97884719" z3="8.66382077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40147887" y3="-3.1427203" z3="8.55412099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77693271" y3="-3.8626471" z3="8.27446398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70588241" y3="-1.72836118" z3="7.43388822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2000423" y3="-0.3362984" z3="5.98197082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58072073" y3="-0.96496312" z3="6.4501977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.15558552" y3="0.71614222" z3="6.05822761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26531508" y3="-0.69118653" z3="4.48360209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71274534" y3="-0.46670062" z3="4.00608755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00964886" y3="-0.03274352" z3="3.99422844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6218455" y3="-2.15556606" z3="4.22616055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6447582" y3="-2.34209551" z3="4.60069253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03413448" y3="-2.79309743" z3="4.84607035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52036019" y3="-2.59474972" z3="2.76217551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.7174562" y3="-3.68233508" z3="2.70034658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51947669" y3="-2.45244974" z3="2.40582533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47536703" y3="-1.86545946" z3="1.81729088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52115704" y3="-1.96995278" z3="2.15970615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25121986" y3="-0.78605362" z3="1.77029879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.41185636" y3="-2.2660627" z3="0.78878019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88803687" y3="-2.61360798" z3="7.72454023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4741577" y3="-0.52515892" z3="6.75211085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.35251968" y3="0.066282" z3="6.4732119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01945073" y3="-1.8543589" z3="7.88039538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46131414" y3="0.13294914" z3="11.79224727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08261935" y3="0.45146551" z3="12.7822798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.59814791" y3="-0.96411313" z3="11.81359605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45405878" y3="0.58095783" z3="11.62184293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50086495" y3="0.52565093" z3="10.67281052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.65331519" y3="1.62336489" z3="10.68409262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49314408" y3="0.07728267" z3="10.87284693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.03999733" y3="0.07727921" z3="9.2768713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21469787" y3="-0.99910366" z3="9.29744058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87261448" y3="0.17477487" z3="8.55998676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13700111" y3="0.886728" z3="8.74978834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.18179545" y3="1.03724255" z3="9.36984482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.87221916" y3="1.60578795" z3="7.93329325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6553,-1.5916,10.7811;-3.3324,-.6626,10.2802;-3.3985,-1.5101,11.8535;-4.7568,-1.6715,10.7014;-2.9714,-2.7961,10.143;-3.25,-3.7294,10.6733;-1.8753,-2.6965,10.2248;-3.3119,-2.9788,8.6638;-4.4015,-3.1427,8.5541;-2.7769,-3.8626,8.2745;-1.7059,-1.7284,7.4339;-.2,-.3363,5.982;.5807,-.965,6.4502;.1556,.7161,6.0582;-.2653,-.6912,4.4836;.7127,-.4667,4.0061;-1.0096,-.0327,3.9942;-.6218,-2.1556,4.2262;-1.6448,-2.3421,4.6007;.0341,-2.7931,4.8461;-.5204,-2.5947,2.7622;-.7175,-3.6823,2.7003;.5195,-2.4524,2.4058;-1.4754,-1.8655,1.8173;-2.5212,-1.97,2.1597;-1.2512,-.7861,1.7703;-1.4119,-2.2661,.7888;-.888,-2.6136,7.7245;-1.4742,-.5252,6.7521;-2.3525,.0663,6.4732;-3.0195,-1.8544,7.8804;-.4613,.1329,11.7922;-.0826,.4515,12.7823;-.5981,-.9641,11.8136;-1.4541,.581,11.6218;.5009,.5257,10.6728;.6533,1.6234,10.6841;1.4931,.0773,10.8728;.04,.0773,9.2769;-.2147,-.9991,9.2974;.8726,.1748,8.56;-1.137,.8867,8.7498;-2.1818,1.0372,9.3698;-.8722,1.6058,7.9333;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605350314251</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">0.001461569019 0.000330858868 0.025250690447 0.008704649188</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="126">-0.001499057 -0.000118538 0.000160816 0.000300209 0.000389231 0.000796304 0.001268438 0.001929199 0.002059574 0.002376595 0.003038036 0.003724514 0.004576972 0.004809535 0.005522202 0.006887988 0.007203041 0.008123252 0.009847251 0.010112491 0.011795507 0.013012393 0.015024537 0.019150807 0.021079697 0.024485550 0.026915478 0.028041159 0.031595002 0.034127723 0.036661200 0.037724260 0.040409138 0.041902139 0.045760215 0.046490266 0.046759205 0.049205556 0.051867715 0.052229104 0.054980812 0.057634564 0.058483969 0.059500889 0.061617420 0.067313437 0.069317284 0.070122368 0.072560806 0.075567821 0.077528052 0.078212615 0.079785531 0.082240891 0.082834979 0.089654558 0.092546491 0.099398869 0.100647393 0.106414157 0.109159926 0.111010745 0.113971678 0.115356701 0.119844910 0.129873380 0.135401946 0.138146328 0.142846125 0.145194159 0.148817594 0.162427319 0.169032182 0.172281880 0.175864504 0.180272350 0.183941510 0.189351479 0.197397865 0.210154910 0.222898084 0.224971846 0.249034359 0.252701995 0.260121696 0.292950485 0.310732274 0.342359764 0.408816314 0.418077953 0.431395643 0.477506629 0.517818654 0.545789226 0.591757083 0.615784435 0.661591326 0.664274893 0.737550153 0.751211582 0.755316877 0.757326821 0.770968339 0.778948813 0.787196211 0.797509149 0.799304502 0.805753539 0.814949957 0.821397421 0.823299641 0.847397040 0.850515517 0.854074281 0.865089549 0.882208316 0.892470326 0.900838871 0.905269583 0.918362195 0.919370489 0.933749971 0.952624236 0.978309610 1.522995764 1.585471742</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="-3.65619232" y3="-1.5859376" z3="10.7862762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33657998" y3="-0.65696005" z3="10.28384515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39812468" y3="-1.50153847" z3="11.85803444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7576446" y3="-1.66771211" z3="10.70819117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97123366" y3="-2.79066115" z3="10.14964676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24764195" y3="-3.72289829" z3="10.68288342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87512651" y3="-2.68896515" z3="10.22912843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3134885" y3="-2.97712257" z3="8.6713695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40289342" y3="-3.14590051" z3="8.56441115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77581601" y3="-3.8603384" z3="8.2840124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71248886" y3="-1.72617048" z3="7.4341756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20987484" y3="-0.33864912" z3="5.97509744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56847906" y3="-0.96586895" z3="6.4484984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.14328485" y3="0.71429383" z3="6.05485424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26271929" y3="-0.69222161" z3="4.47592836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71742649" y3="-0.46362665" z3="4.00447148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00730914" y3="-0.03671216" z3="3.98254362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61278872" y3="-2.15743643" z3="4.21720708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63486274" y3="-2.34790424" z3="4.59212413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04541226" y3="-2.79314062" z3="4.83585255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50958458" y3="-2.59431605" z3="2.75327049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70129187" y3="-3.68201876" z3="2.6906638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52856261" y3="-2.44612897" z3="2.39604516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47097928" y3="-1.87086046" z3="1.80972037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51493363" y3="-1.98248002" z3="2.15535926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25480327" y3="-0.78900968" z3="1.75983692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40931591" y3="-2.27215673" z3="0.78157382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88997062" y3="-2.6052728" z3="7.73867335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48941736" y3="-0.53560122" z3="6.73259681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.36669014" y3="0.06069616" z3="6.46102659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02695111" y3="-1.8541473" z3="7.88500844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4566696" y3="0.11921767" z3="11.79820545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.07352582" y3="0.42716478" z3="12.78923429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.60236045" y3="-0.97531772" z3="11.81019833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44319124" y3="0.57687673" z3="11.63362232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5038856" y3="0.51712541" z3="10.67857992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.66311388" y3="1.61376766" z3="10.69995774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49469136" y3="0.06007731" z3="10.86785575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.034813" y3="0.08612175" z3="9.27866983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.22817007" y3="-0.98805671" z3="9.28668543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86484676" y3="0.18714232" z3="8.5584402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13762452" y3="0.90934643" z3="8.76820666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17832166" y3="1.06249325" z3="9.38783937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88429129" y3="1.61019503" z3="7.93255102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6562,-1.5859,10.7863;-3.3366,-.657,10.2838;-3.3981,-1.5015,11.858;-4.7576,-1.6677,10.7082;-2.9712,-2.7907,10.1496;-3.2476,-3.7229,10.6829;-1.8751,-2.689,10.2291;-3.3135,-2.9771,8.6714;-4.4029,-3.1459,8.5644;-2.7758,-3.8603,8.284;-1.7125,-1.7262,7.4342;-.2099,-.3386,5.9751;.5685,-.9659,6.4485;.1433,.7143,6.0549;-.2627,-.6922,4.4759;.7174,-.4636,4.0045;-1.0073,-.0367,3.9825;-.6128,-2.1574,4.2172;-1.6349,-2.3479,4.5921;.0454,-2.7931,4.8359;-.5096,-2.5943,2.7533;-.7013,-3.682,2.6907;.5286,-2.4461,2.396;-1.471,-1.8709,1.8097;-2.5149,-1.9825,2.1554;-1.2548,-.789,1.7598;-1.4093,-2.2722,.7816;-.89,-2.6053,7.7387;-1.4894,-.5356,6.7326;-2.3667,.0607,6.461;-3.027,-1.8541,7.885;-.4567,.1192,11.7982;-.0735,.4272,12.7892;-.6024,-.9753,11.8102;-1.4432,.5769,11.6336;.5039,.5171,10.6786;.6631,1.6138,10.7;1.4947,.0601,10.8679;.0348,.0861,9.2787;-.2282,-.9881,9.2867;.8648,.1871,8.5584;-1.1376,.9093,8.7682;-2.1783,1.0625,9.3878;-.8843,1.6102,7.9326;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605280628386</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">0.004119875836 0.000665312446 0.037956938150 0.008705270319</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="126">-0.001063521 -0.000075830 0.000160832 0.000256716 0.000394777 0.000797346 0.001244124 0.001916019 0.002064101 0.002376545 0.003042224 0.003750716 0.004579662 0.004817465 0.005553438 0.006862308 0.007204275 0.008113090 0.009813348 0.010103096 0.011802255 0.013034368 0.015050707 0.019143133 0.021078402 0.024483130 0.026912780 0.028040700 0.031583488 0.034126160 0.036679774 0.037828889 0.040412239 0.041905828 0.045789755 0.046517212 0.046837566 0.049197602 0.051865505 0.052239124 0.054973206 0.057631803 0.058485948 0.059499397 0.061613743 0.067313459 0.069321218 0.070117470 0.072563691 0.075569005 0.077529005 0.078203345 0.079783253 0.082238882 0.082834815 0.089666532 0.092554734 0.099408571 0.100666483 0.106410847 0.109161035 0.111020111 0.113973679 0.115357670 0.119843603 0.129873709 0.135400607 0.138149081 0.142825506 0.145220661 0.148817996 0.162423732 0.169031152 0.172278842 0.175853730 0.180276344 0.183941621 0.189350516 0.197396898 0.210161219 0.222899060 0.224970692 0.249148503 0.252699806 0.260160183 0.292948856 0.310736139 0.342360041 0.408817016 0.418078411 0.431411370 0.477514174 0.518058464 0.545802746 0.591768651 0.615784281 0.661590562 0.664480179 0.737556674 0.751214807 0.755330109 0.757345752 0.770968460 0.778958074 0.787217011 0.797511001 0.799318978 0.805755049 0.814950034 0.821397968 0.823340927 0.847397336 0.850515355 0.854076993 0.865089793 0.882263760 0.892470245 0.900841018 0.905270277 0.918371544 0.919369279 0.933750819 0.952635311 0.978335274 1.523459734 1.585812162</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="-3.65480359" y3="-1.58112193" z3="10.78593359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.33919338" y3="-0.65240279" z3="10.28002621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39247194" y3="-1.49396397" z3="11.85645908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.75634348" y3="-1.66707276" z3="10.7126212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96806587" y3="-2.78442576" z3="10.14854362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24014001" y3="-3.71723187" z3="10.68267197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87204264" y3="-2.67936656" z3="10.22489948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31365382" y3="-2.97247734" z3="8.67136315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40305814" y3="-3.14077194" z3="8.56622803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77681901" y3="-3.85533797" z3="8.28238542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71531008" y3="-1.71795823" z3="7.43721984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21176202" y3="-0.33166179" z3="5.97974149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5673829" y3="-0.95713184" z3="6.45491518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.14180884" y3="0.72169654" z3="6.05344313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26587813" y3="-0.69202796" z3="4.48177244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71577643" y3="-0.46667287" z3="4.01202088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00759352" y3="-0.03678004" z3="3.98374095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61635596" y3="-2.15786479" z3="4.22445379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.639334" y3="-2.34788209" z3="4.59723138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04098798" y3="-2.7926678" z3="4.84554899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51043534" y3="-2.59831885" z3="2.76109692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70050791" y3="-3.68705076" z3="2.7010982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52859283" y3="-2.45014596" z3="2.40529672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46978116" y3="-1.87816116" z3="1.81312656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51447368" y3="-1.98583637" z3="2.15744872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25109824" y3="-0.79768154" z3="1.75862561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40652011" y3="-2.28484093" z3="0.78699962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89221595" y3="-2.59575097" z3="7.73674054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48831605" y3="-0.52032187" z3="6.74586501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.36768609" y3="0.06748322" z3="6.46275329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02838041" y3="-1.84900107" z3="7.88385852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45989288" y3="0.09451676" z3="11.78828519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.07983725" y3="0.38920784" z3="12.78494536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.59590047" y3="-1.00309891" z3="11.78296257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45193063" y3="0.54656483" z3="11.63044092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49942703" y3="0.51559215" z3="10.67603224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.64911971" y3="1.61350278" z3="10.71295769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49293951" y3="0.064964" z3="10.86503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.04183622" y3="0.09627272" z3="9.26939194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.20707721" y3="-0.9818833" z3="9.26694919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87611985" y3="0.21378397" z3="8.55572261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13957263" y3="0.90632795" z3="8.753228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17795709" y3="1.05801777" z3="9.38377992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88794441" y3="1.61836878" z3="7.92851771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6548,-1.5811,10.7859;-3.3392,-.6524,10.28;-3.3925,-1.494,11.8565;-4.7563,-1.6671,10.7126;-2.9681,-2.7844,10.1485;-3.2401,-3.7172,10.6827;-1.872,-2.6794,10.2249;-3.3137,-2.9725,8.6714;-4.4031,-3.1408,8.5662;-2.7768,-3.8553,8.2824;-1.7153,-1.718,7.4372;-.2118,-.3317,5.9797;.5674,-.9571,6.4549;.1418,.7217,6.0534;-.2659,-.692,4.4818;.7158,-.4667,4.012;-1.0076,-.0368,3.9837;-.6164,-2.1579,4.2245;-1.6393,-2.3479,4.5972;.041,-2.7927,4.8455;-.5104,-2.5983,2.7611;-.7005,-3.6871,2.7011;.5286,-2.4501,2.4053;-1.4698,-1.8782,1.8131;-2.5145,-1.9858,2.1574;-1.2511,-.7977,1.7586;-1.4065,-2.2848,.787;-.8922,-2.5958,7.7367;-1.4883,-.5203,6.7459;-2.3677,.0675,6.4628;-3.0284,-1.849,7.8839;-.4599,.0945,11.7883;-.0798,.3892,12.7849;-.5959,-1.0031,11.783;-1.4519,.5466,11.6304;.4994,.5156,10.676;.6491,1.6135,10.713;1.4929,.065,10.865;.0418,.0963,9.2694;-.2071,-.9819,9.2669;.8761,.2138,8.5557;-1.1396,.9063,8.7532;-2.178,1.058,9.3838;-.8879,1.6184,7.9285;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605313148716</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">0.002377952824 0.000394675098 0.034010103031 0.008701295335</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="126">-0.000921810 -0.000033697 0.000118113 0.000165542 0.000467939 0.000816527 0.001371883 0.001956353 0.002066297 0.002391357 0.003044136 0.003754876 0.004580052 0.004820136 0.005554577 0.006883798 0.007214156 0.008142321 0.009832589 0.010114719 0.011812906 0.013064365 0.015155456 0.019177279 0.021083039 0.024482507 0.026969904 0.028051144 0.031616365 0.034150523 0.036679957 0.037847680 0.040413540 0.041920548 0.045805110 0.046524215 0.046861603 0.049200344 0.051864745 0.052239961 0.054985828 0.057629255 0.058503287 0.059499876 0.061612337 0.067313731 0.069339131 0.070116827 0.072576360 0.075568153 0.077532763 0.078243132 0.079798271 0.082265146 0.082836637 0.089670356 0.092614471 0.099423473 0.100696213 0.106412271 0.109169360 0.111024846 0.113974626 0.115362681 0.119841920 0.129874650 0.135402291 0.138152475 0.142852271 0.145225482 0.148816400 0.162424347 0.169031105 0.172279348 0.175870093 0.180283078 0.183937978 0.189351211 0.197397370 0.210162520 0.222894797 0.224993263 0.249173566 0.252697957 0.260342966 0.292948622 0.310737481 0.342367284 0.408815484 0.418079495 0.431416132 0.477516339 0.518114219 0.545824405 0.591788396 0.615787605 0.661596324 0.664612500 0.737569883 0.751217083 0.755357968 0.757398560 0.770973515 0.778967126 0.787222061 0.797510687 0.799363075 0.805755015 0.814955489 0.821398209 0.823365386 0.847396933 0.850519308 0.854086247 0.865092459 0.882535094 0.892479166 0.900842402 0.905270230 0.918375098 0.919369944 0.933752109 0.952648940 0.978372877 1.523916048 1.586394164</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="-3.66312758" y3="-1.57122452" z3="10.78964807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3498014" y3="-0.64234812" z3="10.28287009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40246302" y3="-1.48107297" z3="11.86037047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76439913" y3="-1.66143061" z3="10.71496841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97072995" y3="-2.77298548" z3="10.15524872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2381433" y3="-3.70579292" z3="10.69235272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87500778" y3="-2.66215217" z3="10.2307797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3153061" y3="-2.96696227" z3="8.6785175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40428598" y3="-3.13863894" z3="8.57389301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77617865" y3="-3.85010108" z3="8.2934982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71942412" y3="-1.71551363" z3="7.43627568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22015371" y3="-0.32605565" z3="5.9741315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56305538" y3="-0.94549013" z3="6.44998862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12638574" y3="0.72964462" z3="6.04715396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27185912" y3="-0.68812087" z3="4.47703823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70723488" y3="-0.45606335" z3="4.00519096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01916909" y3="-0.03886268" z3="3.97993458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61257101" y3="-2.15689593" z3="4.22362898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63482308" y3="-2.3520491" z3="4.59519568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04740974" y3="-2.78573342" z3="4.84817791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5006926" y3="-2.60026004" z3="2.76158554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.68316304" y3="-3.69039915" z3="2.7029326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53811381" y3="-2.44541917" z3="2.4078702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46282864" y3="-1.88746736" z3="1.81104642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50767967" y3="-2.00358487" z3="2.15199463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25242664" y3="-0.80541158" z3="1.75886826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39291572" y3="-2.29205658" z3="0.78477826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89439527" y3="-2.59105967" z3="7.74054839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49722229" y3="-0.523302" z3="6.73639503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3768929" y3="0.06775353" z3="6.46050889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03258041" y3="-1.84632281" z3="7.8868851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45424029" y3="0.06921928" z3="11.78311564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0731311" y3="0.35519774" z3="12.78237927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.58589677" y3="-1.02760069" z3="11.76724221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44932573" y3="0.51800127" z3="11.63254885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50272132" y3="0.50772495" z3="10.675685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.64458143" y3="1.60540827" z3="10.72254162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.4996617" y3="0.06243949" z3="10.85873092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.04691689" y3="0.1006051" z3="9.26560117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.19629911" y3="-0.9793025" z3="9.2503307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87843705" y3="0.2286946" z3="8.55284429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13758109" y3="0.91308545" z3="8.76282749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.17203054" y3="1.06197401" z3="9.39712688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89613489" y3="1.61931927" z3="7.92912251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6631,-1.5712,10.7896;-3.3498,-.6423,10.2829;-3.4025,-1.4811,11.8604;-4.7644,-1.6614,10.715;-2.9707,-2.773,10.1552;-3.2381,-3.7058,10.6924;-1.875,-2.6622,10.2308;-3.3153,-2.967,8.6785;-4.4043,-3.1386,8.5739;-2.7762,-3.8501,8.2935;-1.7194,-1.7155,7.4363;-.2202,-.3261,5.9741;.5631,-.9455,6.45;.1264,.7296,6.0472;-.2719,-.6881,4.477;.7072,-.4561,4.0052;-1.0192,-.0389,3.9799;-.6126,-2.1569,4.2236;-1.6348,-2.352,4.5952;.0474,-2.7857,4.8482;-.5007,-2.6003,2.7616;-.6832,-3.6904,2.7029;.5381,-2.4454,2.4079;-1.4628,-1.8875,1.811;-2.5077,-2.0036,2.152;-1.2524,-.8054,1.7589;-1.3929,-2.2921,.7848;-.8944,-2.5911,7.7405;-1.4972,-.5233,6.7364;-2.3769,.0678,6.4605;-3.0326,-1.8463,7.8869;-.4542,.0692,11.7831;-.0731,.3552,12.7824;-.5859,-1.0276,11.7672;-1.4493,.518,11.6325;.5027,.5077,10.6757;.6446,1.6054,10.7225;1.4997,.0624,10.8587;.0469,.1006,9.2656;-.1963,-.9793,9.2503;.8784,.2287,8.5528;-1.1376,.9131,8.7628;-2.172,1.062,9.3971;-.8961,1.6193,7.9291;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605303185331</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">0.001805037233 0.000301405554 0.035174929286 0.008700859153</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="126">-0.001063625 -0.000066033 0.000163781 0.000372515 0.000555167 0.000851073 0.001372574 0.001962595 0.002064834 0.002394074 0.003044136 0.003756041 0.004580825 0.004860916 0.005572919 0.006899634 0.007212247 0.008156226 0.009852953 0.010135761 0.011809787 0.013063872 0.015161309 0.019179355 0.021092115 0.024481607 0.027013706 0.028066699 0.031630833 0.034153989 0.036686789 0.037847845 0.040413207 0.041917808 0.045805495 0.046523872 0.046863280 0.049205353 0.051864221 0.052240767 0.054984172 0.057627836 0.058503171 0.059499505 0.061601482 0.067313102 0.069335099 0.070148197 0.072576368 0.075589014 0.077533977 0.078293719 0.079804443 0.082273965 0.082844358 0.089675146 0.092618208 0.099424659 0.100698365 0.106411949 0.109168683 0.111038133 0.113975674 0.115362694 0.119843030 0.129874774 0.135408354 0.138152852 0.142936872 0.145227787 0.148820644 0.162425891 0.169029926 0.172280391 0.175902071 0.180297149 0.183935759 0.189365012 0.197398209 0.210157747 0.222890356 0.224975496 0.249161051 0.252698330 0.260321510 0.292945291 0.310738608 0.342366868 0.408815771 0.418078927 0.431422215 0.477530696 0.518193852 0.545826416 0.591788007 0.615798570 0.661598528 0.664634568 0.737567558 0.751220436 0.755360264 0.757410020 0.770974638 0.778967127 0.787220820 0.797510982 0.799371751 0.805756415 0.814960028 0.821398009 0.823370924 0.847396699 0.850520624 0.854099111 0.865089778 0.882825359 0.892480576 0.900843391 0.905270812 0.918408696 0.919387492 0.933755377 0.952761728 0.978369867 1.523913852 1.586415522</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="-3.66899444" y3="-1.57077352" z3="10.78399187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.35756749" y3="-0.64097504" z3="10.27760058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.41168974" y3="-1.47904116" z3="11.85539652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7697228" y3="-1.66486946" z3="10.70624472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97043586" y3="-2.77058393" z3="10.15264787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23659057" y3="-3.70365772" z3="10.68933083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87552479" y3="-2.65606991" z3="10.23158916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30943598" y3="-2.96671991" z3="8.67495902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39737232" y3="-3.14398005" z3="8.56651033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76423867" y3="-3.84718132" z3="8.29159061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71595395" y3="-1.70670385" z3="7.4394592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22077754" y3="-0.31899241" z3="5.97444807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56190817" y3="-0.93701824" z3="6.45178705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12646322" y3="0.73614753" z3="6.04286548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27431159" y3="-0.68728005" z3="4.4788642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70556099" y3="-0.46013733" z3="4.00603376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0200798" y3="-0.03821303" z3="3.97841841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62001206" y3="-2.15594635" z3="4.23140104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64445715" y3="-2.34506314" z3="4.6003736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03477315" y3="-2.78505287" z3="4.86059242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50570258" y3="-2.60688524" z3="2.77180694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69541213" y3="-3.69549747" z3="2.71815255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53485066" y3="-2.46118544" z3="2.42037079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46107863" y3="-1.89403182" z3="1.81391573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50713077" y3="-1.9977852" z3="2.15648717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.24192951" y3="-0.81312111" z3="1.74938805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39593138" y3="-2.31066449" z3="0.79159449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88679086" y3="-2.5774696" z3="7.7479078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49663805" y3="-0.51365782" z3="6.73939488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37822976" y3="0.07226425" z3="6.45891788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02979413" y3="-1.8444246" z3="7.88436577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45256936" y3="0.04665397" z3="11.77906717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.07504708" y3="0.32002281" z3="12.78258538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.58043096" y3="-1.05083358" z3="11.74447652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44507591" y3="0.494973" z3="11.63011607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50223208" y3="0.50733239" z3="10.67813736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63340775" y3="1.60675485" z3="10.74060823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50326662" y3="0.06789468" z3="10.85666353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0538439" y3="0.11351823" z3="9.2609158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.18117065" y3="-0.96671609" z3="9.23339259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88845084" y3="0.25968184" z3="8.55192924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13567536" y3="0.9205688" z3="8.76067368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16821764" y3="1.06589987" z3="9.39937494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89912968" y3="1.62820687" z3="7.92802556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.669,-1.5708,10.784;-3.3576,-.641,10.2776;-3.4117,-1.479,11.8554;-4.7697,-1.6649,10.7062;-2.9704,-2.7706,10.1526;-3.2366,-3.7037,10.6893;-1.8755,-2.6561,10.2316;-3.3094,-2.9667,8.675;-4.3974,-3.144,8.5665;-2.7642,-3.8472,8.2916;-1.716,-1.7067,7.4395;-.2208,-.319,5.9744;.5619,-.937,6.4518;.1265,.7361,6.0429;-.2743,-.6873,4.4789;.7056,-.4601,4.006;-1.0201,-.0382,3.9784;-.62,-2.1559,4.2314;-1.6445,-2.3451,4.6004;.0348,-2.7851,4.8606;-.5057,-2.6069,2.7718;-.6954,-3.6955,2.7182;.5349,-2.4612,2.4204;-1.4611,-1.894,1.8139;-2.5071,-1.9978,2.1565;-1.2419,-.8131,1.7494;-1.3959,-2.3107,.7916;-.8868,-2.5775,7.7479;-1.4966,-.5137,6.7394;-2.3782,.0723,6.4589;-3.0298,-1.8444,7.8844;-.4526,.0467,11.7791;-.075,.32,12.7826;-.5804,-1.0508,11.7445;-1.4451,.495,11.6301;.5022,.5073,10.6781;.6334,1.6068,10.7406;1.5033,.0679,10.8567;.0538,.1135,9.2609;-.1812,-.9667,9.2334;.8885,.2597,8.5519;-1.1357,.9206,8.7607;-2.1682,1.0659,9.3994;-.8991,1.6282,7.928;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605306354303</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">0.002009711808 0.000438817619 0.029368929812 0.008706231296</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="126">-0.001123827 -0.000391937 0.000164737 0.000368141 0.000548979 0.000842451 0.001393871 0.001968546 0.002061969 0.002393382 0.003046794 0.003775468 0.004584970 0.004915918 0.005636427 0.006968202 0.007213703 0.008171100 0.009889240 0.010217556 0.011825248 0.013068349 0.015169984 0.019186367 0.021107088 0.024491440 0.027061327 0.028081137 0.031653086 0.034156651 0.036706737 0.037979176 0.040413284 0.041921978 0.045811290 0.046539900 0.046955762 0.049238847 0.051865354 0.052239772 0.054994134 0.057628352 0.058503747 0.059497997 0.061634988 0.067312033 0.069334335 0.070142094 0.072577284 0.075625768 0.077535945 0.078371568 0.079820366 0.082305889 0.082859361 0.089727570 0.092619446 0.099424320 0.100698273 0.106413358 0.109168911 0.111041414 0.113976245 0.115362460 0.119841156 0.129876666 0.135413441 0.138151664 0.143161652 0.145274690 0.148836154 0.162452159 0.169030086 0.172285131 0.175967152 0.180323088 0.183938517 0.189384679 0.197397603 0.210162427 0.222914564 0.225014824 0.249152362 0.252696829 0.260349909 0.292972810 0.310739939 0.342383761 0.408821638 0.418080613 0.431437201 0.477548876 0.518550586 0.545859337 0.591832017 0.615813303 0.661635187 0.664896301 0.737567952 0.751245543 0.755358626 0.757465078 0.770980552 0.778967132 0.787236046 0.797512098 0.799371799 0.805763312 0.814962440 0.821399404 0.823365942 0.847396211 0.850521508 0.854155955 0.865097586 0.882929458 0.892481219 0.900844404 0.905270828 0.918545504 0.919389076 0.933755040 0.952884839 0.978409904 1.523915462 1.586418384</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="-3.67794692" y3="-1.57241458" z3="10.77592136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.366001" y3="-0.64221553" z3="10.27066276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42570667" y3="-1.47994799" z3="11.84844734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77809301" y3="-1.66973246" z3="10.69276579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97273365" y3="-2.76996704" z3="10.14767932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23708101" y3="-3.70453992" z3="10.68340511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8782893" y3="-2.65065523" z3="10.23043034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30542533" y3="-2.96652328" z3="8.66888483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39222428" y3="-3.14608747" z3="8.55580159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75655602" y3="-3.84492716" z3="8.28686079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71055483" y3="-1.70277708" z3="7.43933367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21677199" y3="-0.31115495" z3="5.97512051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57129495" y3="-0.92405498" z3="6.45213784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12589976" y3="0.746636" z3="6.03825913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27626657" y3="-0.6859032" z3="4.48115835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7029492" y3="-0.46547764" z3="4.00414659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02010561" y3="-0.03537322" z3="3.98067523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62981403" y3="-2.15407027" z3="4.24173556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65576929" y3="-2.33553108" z3="4.61021157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02070823" y3="-2.7828031" z3="4.87618511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51626756" y3="-2.61450221" z3="2.78521008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71483135" y3="-3.70258881" z3="2.73779703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52694518" y3="-2.47925053" z3="2.43594767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46143659" y3="-1.89697269" z3="1.82142832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50953791" y3="-1.98713684" z3="2.16062499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.22893882" y3="-0.82055393" z3="1.7548168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3961479" y3="-2.31738143" z3="0.80128031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88183775" y3="-2.57362728" z3="7.74622498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49006521" y3="-0.50709161" z3="6.74444006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37286515" y3="0.07733486" z3="6.46356347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02505591" y3="-1.8428649" z3="7.88033036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44946778" y3="0.03288223" z3="11.76981774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.07760787" y3="0.30558395" z3="12.77591871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.55915882" y3="-1.06554279" z3="11.73214783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45444934" y3="0.46560407" z3="11.62621717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50356536" y3="0.51275724" z3="10.67621786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62075083" y3="1.61163301" z3="10.7436107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50884771" y3="0.08670972" z3="10.85811431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06519134" y3="0.1214254" z3="9.25699826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15522816" y3="-0.96390331" z3="9.22125871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89900731" y3="0.27856338" z3="8.55301798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13307826" y3="0.91838148" z3="8.75883937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16562221" y3="1.05487833" z3="9.40045312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.90258557" y3="1.63257014" z3="7.92827421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6779,-1.5724,10.7759;-3.366,-.6422,10.2707;-3.4257,-1.4799,11.8484;-4.7781,-1.6697,10.6928;-2.9727,-2.77,10.1477;-3.2371,-3.7045,10.6834;-1.8783,-2.6507,10.2304;-3.3054,-2.9665,8.6689;-4.3922,-3.1461,8.5558;-2.7566,-3.8449,8.2869;-1.7106,-1.7028,7.4393;-.2168,-.3112,5.9751;.5713,-.9241,6.4521;.1259,.7466,6.0383;-.2763,-.6859,4.4812;.7029,-.4655,4.0041;-1.0201,-.0354,3.9807;-.6298,-2.1541,4.2417;-1.6558,-2.3355,4.6102;.0207,-2.7828,4.8762;-.5163,-2.6145,2.7852;-.7148,-3.7026,2.7378;.5269,-2.4793,2.4359;-1.4614,-1.897,1.8214;-2.5095,-1.9871,2.1606;-1.2289,-.8206,1.7548;-1.3961,-2.3174,.8013;-.8818,-2.5736,7.7462;-1.4901,-.5071,6.7444;-2.3729,.0773,6.4636;-3.0251,-1.8429,7.8803;-.4495,.0329,11.7698;-.0776,.3056,12.7759;-.5592,-1.0655,11.7321;-1.4544,.4656,11.6262;.5036,.5128,10.6762;.6208,1.6116,10.7436;1.5088,.0867,10.8581;.0652,.1214,9.257;-.1552,-.9639,9.2213;.899,.2786,8.553;-1.1331,.9184,8.7588;-2.1656,1.0549,9.4005;-.9026,1.6326,7.9283;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605315508094</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">0.002680532287 0.000607428280 0.033612344913 0.008714759358</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="126">-0.001561675 -0.000516942 0.000165454 0.000370674 0.000547811 0.000836643 0.001391856 0.001968601 0.002060630 0.002393376 0.003048459 0.003776527 0.004581488 0.004961245 0.005709837 0.006980592 0.007218011 0.008195592 0.009888906 0.010292616 0.011827228 0.013077957 0.015238747 0.019185955 0.021138696 0.024491241 0.027124360 0.028133172 0.031688447 0.034159370 0.036742410 0.038156472 0.040413045 0.041921590 0.045822511 0.046555173 0.047131252 0.049283118 0.051865394 0.052239792 0.054992772 0.057630058 0.058505167 0.059496922 0.061732621 0.067311388 0.069342778 0.070162333 0.072580446 0.075754818 0.077545028 0.078509820 0.079845895 0.082342686 0.082930681 0.089837571 0.092619121 0.099424417 0.100699231 0.106413555 0.109169636 0.111046558 0.113980463 0.115362560 0.119840367 0.129879107 0.135420190 0.138151257 0.143495743 0.145347585 0.148892650 0.162477244 0.169030471 0.172296122 0.176069099 0.180361722 0.183987844 0.189438205 0.197400460 0.210164795 0.222962592 0.225022263 0.249143166 0.252697120 0.260330045 0.292987790 0.310746439 0.342400307 0.408821732 0.418081568 0.431455355 0.477574092 0.519187902 0.545897589 0.591865286 0.615826343 0.661671663 0.665389134 0.737569671 0.751251181 0.755358664 0.757503778 0.770980602 0.778966995 0.787247627 0.797515363 0.799398054 0.805770890 0.814969118 0.821399744 0.823408213 0.847396835 0.850523233 0.854361867 0.865107244 0.883273211 0.892482600 0.900846160 0.905270746 0.918963213 0.919489913 0.933769269 0.953110808 0.978452904 1.523939080 1.586414435</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="-3.68461495" y3="-1.57088416" z3="10.77408311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3768818" y3="-0.63988884" z3="10.26780439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43300817" y3="-1.47534491" z3="11.84643645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78428952" y3="-1.67210106" z3="10.69080224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97522686" y3="-2.76701257" z3="10.1483699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2383747" y3="-3.70103396" z3="10.6851039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88159936" y3="-2.64511719" z3="10.23198355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30526795" y3="-2.96601497" z3="8.66925827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39121738" y3="-3.15120573" z3="8.55520039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75186231" y3="-3.84264294" z3="8.28931446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71353528" y3="-1.69729538" z3="7.43970482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22309194" y3="-0.30994463" z3="5.97014626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56273109" y3="-0.9206484" z3="6.45260477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11727076" y3="0.74812936" z3="6.03382115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2727857" y3="-0.68742559" z3="4.47656371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7091443" y3="-0.46829024" z3="4.00442562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01468649" y3="-0.03862083" z3="3.97016287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62567337" y3="-2.15616551" z3="4.24063151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65117429" y3="-2.33642284" z3="4.61132469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0258239" y3="-2.78309173" z3="4.87564568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51405616" y3="-2.61957755" z3="2.7854979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71404601" y3="-3.7071709" z3="2.74069647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52856207" y3="-2.48608399" z3="2.43458488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4601895" y3="-1.903932" z3="1.82132936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50826346" y3="-1.9946964" z3="2.16105199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.22907585" y3="-0.82682429" z3="1.75246433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39526506" y3="-2.32662883" z3="0.80186609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87978636" y3="-2.56122602" z3="7.75828233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.5005973" y3="-0.51112466" z3="6.73014065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38315936" y3="0.07402607" z3="6.45137272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0293481" y3="-1.84189097" z3="7.88044787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44081509" y3="0.01359336" z3="11.77242022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06852409" y3="0.27197161" z3="12.78235222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.55068058" y3="-1.08639609" z3="11.715097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44105965" y3="0.44917654" z3="11.63246926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50849412" y3="0.50922285" z3="10.68260327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62462945" y3="1.60904235" z3="10.76829829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51419078" y3="0.08025287" z3="10.85464449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0659435" y3="0.13929616" z3="9.25689746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15692681" y3="-0.94329737" z3="9.20521014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89847252" y3="0.31034728" z3="8.55113648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13249918" y3="0.94240983" z3="8.77283773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16065306" y3="1.07757099" z3="9.41886282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9153886" y3="1.6423486" z3="7.92842112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6846,-1.5709,10.7741;-3.3769,-.6399,10.2678;-3.433,-1.4753,11.8464;-4.7843,-1.6721,10.6908;-2.9752,-2.767,10.1484;-3.2384,-3.701,10.6851;-1.8816,-2.6451,10.232;-3.3053,-2.966,8.6693;-4.3912,-3.1512,8.5552;-2.7519,-3.8426,8.2893;-1.7135,-1.6973,7.4397;-.2231,-.3099,5.9701;.5627,-.9206,6.4526;.1173,.7481,6.0338;-.2728,-.6874,4.4766;.7091,-.4683,4.0044;-1.0147,-.0386,3.9702;-.6257,-2.1562,4.2406;-1.6512,-2.3364,4.6113;.0258,-2.7831,4.8756;-.5141,-2.6196,2.7855;-.714,-3.7072,2.7407;.5286,-2.4861,2.4346;-1.4602,-1.9039,1.8213;-2.5083,-1.9947,2.1611;-1.2291,-.8268,1.7525;-1.3953,-2.3266,.8019;-.8798,-2.5612,7.7583;-1.5006,-.5111,6.7301;-2.3832,.074,6.4514;-3.0293,-1.8419,7.8804;-.4408,.0136,11.7724;-.0685,.272,12.7824;-.5507,-1.0864,11.7151;-1.4411,.4492,11.6325;.5085,.5092,10.6826;.6246,1.609,10.7683;1.5142,.0803,10.8546;.0659,.1393,9.2569;-.1569,-.9433,9.2052;.8985,.3103,8.5511;-1.1325,.9424,8.7728;-2.1607,1.0776,9.4189;-.9154,1.6423,7.9284;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605315705520</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">0.002774577770 0.000446761981 0.023987225965 0.008726564643</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="126">-0.002574548 -0.000052917 0.000192377 0.000370100 0.000551868 0.000831936 0.001391962 0.001970977 0.002063221 0.002392202 0.003049095 0.003783190 0.004582899 0.004970159 0.005728187 0.006980376 0.007241311 0.008208812 0.009892366 0.010322537 0.011827112 0.013077196 0.015256377 0.019186233 0.021159627 0.024492910 0.027146406 0.028185608 0.031694013 0.034160382 0.036749873 0.038132053 0.040413165 0.041920558 0.045822747 0.046556194 0.047163774 0.049286302 0.051865353 0.052242450 0.054993621 0.057627553 0.058510144 0.059496928 0.061728356 0.067310268 0.069351201 0.070175104 0.072579589 0.075831883 0.077550558 0.078611067 0.079867694 0.082357678 0.083101898 0.089853833 0.092623234 0.099424067 0.100699137 0.106413608 0.109168953 0.111062707 0.113981554 0.115362144 0.119844736 0.129878718 0.135424269 0.138154849 0.143675650 0.145363752 0.148964032 0.162479463 0.169029943 0.172298460 0.176113100 0.180381431 0.184033003 0.189455180 0.197403447 0.210165774 0.222997626 0.225036760 0.249228343 0.252697472 0.260463345 0.292987454 0.310750512 0.342397922 0.408847681 0.418083663 0.431454331 0.477572749 0.519235476 0.545905815 0.591864347 0.615826930 0.661672940 0.665488914 0.737571004 0.751251008 0.755358038 0.757502101 0.770982226 0.778966880 0.787251631 0.797515646 0.799398485 0.805771084 0.814977346 0.821399807 0.823470735 0.847396316 0.850525092 0.854444238 0.865106895 0.883804355 0.892482259 0.900848328 0.905272228 0.919131253 0.919743959 0.933770172 0.953110102 0.978448355 1.523938206 1.586453213</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="-3.68632554" y3="-1.57764245" z3="10.76951128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37974234" y3="-0.64487386" z3="10.26610137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43362683" y3="-1.48587097" z3="11.84176698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78584629" y3="-1.67929381" z3="10.68723124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97683554" y3="-2.77073156" z3="10.13860507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23967572" y3="-3.70733722" z3="10.67119188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88327178" y3="-2.64860347" z3="10.22217314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30665617" y3="-2.96256071" z3="8.65870438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39238332" y3="-3.14747586" z3="8.54322534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75290411" y3="-3.83700526" z3="8.27450136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71449256" y3="-1.68631827" z3="7.43842017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22401833" y3="-0.29901312" z3="5.97028867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56252174" y3="-0.90587892" z3="6.45587688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11436865" y3="0.75974146" z3="6.02857657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27251846" y3="-0.68531625" z3="4.47877427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71109511" y3="-0.47273988" z3="4.00699397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01087778" y3="-0.03702974" z3="3.96675818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63115197" y3="-2.15407155" z3="4.25209778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65829154" y3="-2.32612943" z3="4.62160764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01502641" y3="-2.77973742" z3="4.89341177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51883044" y3="-2.6292772" z3="2.80042956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72905127" y3="-3.71497703" z3="2.76344775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52566042" y3="-2.50861852" z3="2.45077607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45713324" y3="-1.9131797" z3="1.82820144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50570833" y3="-1.9894115" z3="2.17033387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21524544" y3="-0.83815505" z3="1.74613409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39841873" y3="-2.34802419" z3="0.81311121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87949946" y3="-2.54865771" z3="7.75817999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50152771" y3="-0.49913231" z3="6.73064252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38454232" y3="0.08447467" z3="6.44970567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0307261" y3="-1.83449207" z3="7.87541758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43366634" y3="-0.0026419" z3="11.76733358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0630496" y3="0.2512455" z3="12.77791043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.53457527" y3="-1.09998402" z3="11.70464606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43879196" y3="0.42518931" z3="11.6323214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51026331" y3="0.51211723" z3="10.68151513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61555645" y3="1.61116587" z3="10.77476882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52166297" y3="0.09162748" z3="10.8478708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07065305" y3="0.1504712" z3="9.25458056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14385133" y3="-0.93395058" z3="9.19421068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90149368" y3="0.33113782" z3="8.55117087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13311165" y3="0.94903883" z3="8.77590145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15952255" y3="1.07965798" z3="9.42496739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92079351" y3="1.65165147" z3="7.93297796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6863,-1.5776,10.7695;-3.3797,-.6449,10.2661;-3.4336,-1.4859,11.8418;-4.7858,-1.6793,10.6872;-2.9768,-2.7707,10.1386;-3.2397,-3.7073,10.6712;-1.8833,-2.6486,10.2222;-3.3067,-2.9626,8.6587;-4.3924,-3.1475,8.5432;-2.7529,-3.837,8.2745;-1.7145,-1.6863,7.4384;-.224,-.299,5.9703;.5625,-.9059,6.4559;.1144,.7597,6.0286;-.2725,-.6853,4.4788;.7111,-.4727,4.007;-1.0109,-.037,3.9668;-.6312,-2.1541,4.2521;-1.6583,-2.3261,4.6216;.015,-2.7797,4.8934;-.5188,-2.6293,2.8004;-.7291,-3.715,2.7634;.5257,-2.5086,2.4508;-1.4571,-1.9132,1.8282;-2.5057,-1.9894,2.1703;-1.2152,-.8382,1.7461;-1.3984,-2.348,.8131;-.8795,-2.5487,7.7582;-1.5015,-.4991,6.7306;-2.3845,.0845,6.4497;-3.0307,-1.8345,7.8754;-.4337,-.0026,11.7673;-.063,.2512,12.7779;-.5346,-1.1,11.7046;-1.4388,.4252,11.6323;.5103,.5121,10.6815;.6156,1.6112,10.7748;1.5217,.0916,10.8479;.0707,.1505,9.2546;-.1439,-.934,9.1942;.9015,.3311,8.5512;-1.1331,.949,8.7759;-2.1595,1.0797,9.425;-.9208,1.6517,7.933;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605317900702</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">0.001455196744 0.000330339724 0.027511900566 0.008702946197</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="126">-0.002563264 -0.000318281 0.000188195 0.000371176 0.000563693 0.000835957 0.001406343 0.001972198 0.002078369 0.002395940 0.003053235 0.003831810 0.004591264 0.004970939 0.005726696 0.006993066 0.007262738 0.008205669 0.009893155 0.010317014 0.011827577 0.013081547 0.015256925 0.019185813 0.021159146 0.024495658 0.027150866 0.028207083 0.031693798 0.034160254 0.036749218 0.038256317 0.040413615 0.041930918 0.045828361 0.046556322 0.047173893 0.049286010 0.051864842 0.052242302 0.054997502 0.057629935 0.058522803 0.059497876 0.061725482 0.067310064 0.069356665 0.070186787 0.072583975 0.075864535 0.077552514 0.078642170 0.079869634 0.082355730 0.083192590 0.089857204 0.092621914 0.099424520 0.100699382 0.106413734 0.109170318 0.111076510 0.113981247 0.115362868 0.119854250 0.129879223 0.135426348 0.138170639 0.143711497 0.145362594 0.149028799 0.162479706 0.169031087 0.172299321 0.176109081 0.180388216 0.184069192 0.189454920 0.197402590 0.210171977 0.223012968 0.225040661 0.249267077 0.252698844 0.260496216 0.293004638 0.310750482 0.342415518 0.408875877 0.418085295 0.431464421 0.477599303 0.519267673 0.545914517 0.591893642 0.615832601 0.661673762 0.665501266 0.737571195 0.751281511 0.755358594 0.757568174 0.771004478 0.778969240 0.787269649 0.797516877 0.799403567 0.805778933 0.814978013 0.821399785 0.823485443 0.847395933 0.850530242 0.854460114 0.865115099 0.883968000 0.892486426 0.900848189 0.905289770 0.919162115 0.919918874 0.933770237 0.953124855 0.978450031 1.523950336 1.586473376</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="-3.68845722" y3="-1.58147781" z3="10.76778365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38146152" y3="-0.64713477" z3="10.26793538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43565167" y3="-1.49385522" z3="11.84048515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78801694" y3="-1.6821889" z3="10.68510482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97975952" y3="-2.77240985" z3="10.13180359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24379677" y3="-3.71087199" z3="10.65993776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88633823" y3="-2.65183431" z3="10.21585938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30934831" y3="-2.95740398" z3="8.65094609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39524363" y3="-3.13995715" z3="8.534078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75708394" y3="-3.83121721" z3="8.26311785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71491298" y3="-1.67641157" z3="7.43867177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22571135" y3="-0.28867149" z3="5.96896968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56463146" y3="-0.88919401" z3="6.45781381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10807051" y3="0.77260763" z3="6.020241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27573918" y3="-0.6843445" z3="4.47985965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70747563" y3="-0.47520815" z3="4.00592703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01406201" y3="-0.0384386" z3="3.96496196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6362647" y3="-2.1542316" z3="4.26202837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66434994" y3="-2.32275739" z3="4.63104314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00827085" y3="-2.77659174" z3="4.90850891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52267625" y3="-2.63851363" z3="2.81375351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73621114" y3="-3.7243083" z3="2.78262501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5237106" y3="-2.52318145" z3="2.46680367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45411518" y3="-1.92301044" z3="1.83548812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50508778" y3="-1.99514127" z3="2.17007979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20764825" y3="-0.85120986" z3="1.75606571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38871786" y3="-2.35802239" z3="0.8217826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87932778" y3="-2.53759926" z3="7.75984305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50214329" y3="-0.48877219" z3="6.73133492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38598858" y3="0.09293699" z3="6.44877985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03174094" y3="-1.82658842" z3="7.87246267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42829217" y3="-0.01975266" z3="11.76042433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06112124" y3="0.22638424" z3="12.77539315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.51484474" y3="-1.12161929" z3="11.68205431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43845429" y3="0.39767741" z3="11.62955503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51256792" y3="0.51399241" z3="10.68143923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60984943" y3="1.61311386" z3="10.7883297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52471309" y3="0.10034326" z3="10.84722978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07838614" y3="0.1626414" z3="9.24871699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.12958141" y3="-0.92242117" z3="9.17665861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91047639" y3="0.35807321" z3="8.54882574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13130374" y3="0.95558675" z3="8.77591995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1552301" y3="1.07930696" z3="9.43161759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92783117" y3="1.66106378" z3="7.93211251">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6885,-1.5815,10.7678;-3.3815,-.6471,10.2679;-3.4357,-1.4939,11.8405;-4.788,-1.6822,10.6851;-2.9798,-2.7724,10.1318;-3.2438,-3.7109,10.6599;-1.8863,-2.6518,10.2159;-3.3093,-2.9574,8.6509;-4.3952,-3.14,8.5341;-2.7571,-3.8312,8.2631;-1.7149,-1.6764,7.4387;-.2257,-.2887,5.969;.5646,-.8892,6.4578;.1081,.7726,6.0202;-.2757,-.6843,4.4799;.7075,-.4752,4.0059;-1.0141,-.0384,3.965;-.6363,-2.1542,4.262;-1.6643,-2.3228,4.631;.0083,-2.7766,4.9085;-.5227,-2.6385,2.8138;-.7362,-3.7243,2.7826;.5237,-2.5232,2.4668;-1.4541,-1.923,1.8355;-2.5051,-1.9951,2.1701;-1.2076,-.8512,1.7561;-1.3887,-2.358,.8218;-.8793,-2.5376,7.7598;-1.5021,-.4888,6.7313;-2.386,.0929,6.4488;-3.0317,-1.8266,7.8725;-.4283,-.0198,11.7604;-.0611,.2264,12.7754;-.5148,-1.1216,11.6821;-1.4385,.3977,11.6296;.5126,.514,10.6814;.6098,1.6131,10.7883;1.5247,.1003,10.8472;.0784,.1626,9.2487;-.1296,-.9224,9.1767;.9105,.3581,8.5488;-1.1313,.9556,8.7759;-2.1552,1.0793,9.4316;-.9278,1.6611,7.9321;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605305718696</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">0.003672388515 0.000597765922 0.024347931020 0.008711394231</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="126">-0.002622198 -0.000790369 0.000187804 0.000368505 0.000569983 0.000839936 0.001425110 0.001973119 0.002087502 0.002403456 0.003069520 0.003908703 0.004615972 0.004971000 0.005734544 0.007033831 0.007298049 0.008204272 0.009894142 0.010316564 0.011827169 0.013081973 0.015312627 0.019188762 0.021159215 0.024500470 0.027164864 0.028246344 0.031693775 0.034160797 0.036750448 0.038599136 0.040413596 0.041987714 0.045845739 0.046559908 0.047322881 0.049290632 0.051864503 0.052241545 0.054999030 0.057629404 0.058534926 0.059497548 0.061760840 0.067311999 0.069359107 0.070205547 0.072590928 0.075913374 0.077555499 0.078687110 0.079880780 0.082358062 0.083292244 0.089885146 0.092630715 0.099428012 0.100702809 0.106413754 0.109171671 0.111095900 0.113982407 0.115365304 0.119855965 0.129880067 0.135428951 0.138206894 0.143773191 0.145361447 0.149144788 0.162481522 0.169031244 0.172307535 0.176109604 0.180399848 0.184126767 0.189455742 0.197402658 0.210174220 0.223054531 0.225075122 0.249301826 0.252700787 0.260697956 0.293055625 0.310750364 0.342430799 0.408922716 0.418087009 0.431482094 0.477656393 0.519408405 0.545940269 0.591952020 0.615851145 0.661677958 0.665518100 0.737571514 0.751318255 0.755363743 0.757670148 0.771035394 0.778969370 0.787292825 0.797520785 0.799427960 0.805799575 0.814978157 0.821401012 0.823490874 0.847397133 0.850548785 0.854518053 0.865123468 0.884714659 0.892486534 0.900850252 0.905329921 0.919208333 0.920270057 0.933770333 0.953174546 0.978451684 1.523996102 1.586556958</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="-3.69493224" y3="-1.58584558" z3="10.76439991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38933364" y3="-0.6492317" z3="10.26721246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44248049" y3="-1.50125528" z3="11.83745596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79459676" y3="-1.6886865" z3="10.68093981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98318635" y3="-2.77368936" z3="10.12525521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24579705" y3="-3.71495035" z3="10.64987446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88965236" y3="-2.65098692" z3="10.21110163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31089183" y3="-2.95397033" z3="8.64336663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39674461" y3="-3.13726549" z3="8.52412853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75678355" y3="-3.8257404" z3="8.25284616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71637911" y3="-1.66746345" z3="7.43778435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22639255" y3="-0.27847713" z3="5.97211331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56346171" y3="-0.87816996" z3="6.45964534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10822636" y3="0.78108848" z3="6.02042502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27937223" y3="-0.67978052" z3="4.4851054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7034259" y3="-0.47484697" z3="4.00848046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01771434" y3="-0.03558948" z3="3.9680164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64295142" y3="-2.15000786" z3="4.27559107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67338266" y3="-2.31243706" z3="4.64015749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00463651" y3="-2.77026996" z3="4.92991436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52373643" y3="-2.64404137" z3="2.83109343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.7442548" y3="-3.72774787" z3="2.80555649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52436734" y3="-2.53773899" z3="2.48836114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44803089" y3="-1.93112945" z3="1.84275908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5001614" y3="-1.9950515" z3="2.17657826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19714102" y3="-0.85836617" z3="1.75000497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38470518" y3="-2.37868837" z3="0.83308344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88108638" y3="-2.53008998" z3="7.75449185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50157648" y3="-0.47596373" z3="6.73736993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38527731" y3="0.10537657" z3="6.45394759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03311584" y3="-1.81961125" z3="7.86941639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41831648" y3="-0.03792102" z3="11.75051503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05445823" y3="0.20565448" z3="12.76620029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.4998269" y3="-1.13381376" z3="11.66919261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42977356" y3="0.37332948" z3="11.61991451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51605682" y3="0.51518596" z3="10.67518231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.5949552" y3="1.61556547" z3="10.78632153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53815195" y3="0.11504106" z3="10.83464388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.08493008" y3="0.16815278" z3="9.24208926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.11072795" y3="-0.91883533" z3="9.16574612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91326715" y3="0.3741278" z3="8.54260186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13227036" y3="0.95452655" z3="8.77379311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15569023" y3="1.0709235" z3="9.43105387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92982716" y3="1.66807825" z3="7.93864192">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6949,-1.5858,10.7644;-3.3893,-.6492,10.2672;-3.4425,-1.5013,11.8375;-4.7946,-1.6887,10.6809;-2.9832,-2.7737,10.1253;-3.2458,-3.715,10.6499;-1.8897,-2.651,10.2111;-3.3109,-2.954,8.6434;-4.3967,-3.1373,8.5241;-2.7568,-3.8257,8.2528;-1.7164,-1.6675,7.4378;-.2264,-.2785,5.9721;.5635,-.8782,6.4596;.1082,.7811,6.0204;-.2794,-.6798,4.4851;.7034,-.4748,4.0085;-1.0177,-.0356,3.968;-.643,-2.15,4.2756;-1.6734,-2.3124,4.6402;-.0046,-2.7703,4.9299;-.5237,-2.644,2.8311;-.7443,-3.7277,2.8056;.5244,-2.5377,2.4884;-1.448,-1.9311,1.8428;-2.5002,-1.9951,2.1766;-1.1971,-.8584,1.75;-1.3847,-2.3787,.8331;-.8811,-2.5301,7.7545;-1.5016,-.476,6.7374;-2.3853,.1054,6.4539;-3.0331,-1.8196,7.8694;-.4183,-.0379,11.7505;-.0545,.2057,12.7662;-.4998,-1.1338,11.6692;-1.4298,.3733,11.6199;.5161,.5152,10.6752;.595,1.6156,10.7863;1.5382,.115,10.8346;.0849,.1682,9.2421;-.1107,-.9188,9.1657;.9133,.3741,8.5426;-1.1323,.9545,8.7738;-2.1557,1.0709,9.4311;-.9298,1.6681,7.9386;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605285714254</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">0.003520978241 0.000707475533 0.035712039730 0.008704687942</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="126">-0.002716880 -0.001401715 0.000196724 0.000368772 0.000565698 0.000837493 0.001423130 0.001977345 0.002095194 0.002403020 0.003064744 0.003908060 0.004628797 0.004971253 0.005747220 0.007053835 0.007315864 0.008213375 0.009922525 0.010335776 0.011827538 0.013091121 0.015489108 0.019223787 0.021160732 0.024512618 0.027180053 0.028291877 0.031693739 0.034161714 0.036751250 0.039197907 0.040414493 0.042175849 0.045877905 0.046570813 0.047920882 0.049373107 0.051864243 0.052240727 0.055015560 0.057631136 0.058548335 0.059496661 0.061853335 0.067314665 0.069363706 0.070284846 0.072607801 0.075978529 0.077554455 0.078719605 0.079900227 0.082363966 0.083460089 0.089933435 0.092638356 0.099434736 0.100710425 0.106414304 0.109173472 0.111115379 0.113986891 0.115365669 0.119854422 0.129884044 0.135433447 0.138261642 0.143874340 0.145369917 0.149380943 0.162500014 0.169032588 0.172310237 0.176112185 0.180400906 0.184264090 0.189457046 0.197401759 0.210193576 0.223093555 0.225136209 0.249335130 0.252704012 0.260824124 0.293198594 0.310753517 0.342503308 0.408972915 0.418091473 0.431497797 0.477778357 0.520013315 0.545994787 0.592117701 0.615902171 0.661719154 0.665801939 0.737588072 0.751426869 0.755403564 0.758159460 0.771104853 0.778971552 0.787332645 0.797522993 0.799569111 0.805843198 0.814978622 0.821414915 0.823494429 0.847399476 0.850587198 0.854580122 0.865129936 0.885726463 0.892488500 0.900858811 0.905392199 0.919218782 0.920488659 0.933769974 0.953308949 0.978456021 1.523997746 1.586642630</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="-3.69873117" y3="-1.58877769" z3="10.76265891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39268668" y3="-0.65126472" z3="10.26799764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44514506" y3="-1.50755227" z3="11.83565762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79820586" y3="-1.69019936" z3="10.68016524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98876213" y3="-2.77491585" z3="10.1194919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25254329" y3="-3.71736222" z3="10.64076068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89554938" y3="-2.6540758" z3="10.20532431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31638467" y3="-2.94964306" z3="8.63708929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40207026" y3="-3.13087536" z3="8.51690596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76377954" y3="-3.82071138" z3="8.24362375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72024565" y3="-1.6587035" z3="7.43883185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23202415" y3="-0.2673201" z3="5.97305339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56196314" y3="-0.86079094" z3="6.46525003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09717729" y3="0.79583422" z3="6.01552879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28350729" y3="-0.67664305" z3="4.48756168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70027174" y3="-0.47452774" z3="4.01194873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02012168" y3="-0.03430729" z3="3.96615254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64754424" y3="-2.14754493" z3="4.28476624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67953437" y3="-2.3074517" z3="4.64628404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01222227" y3="-2.76400564" z3="4.94551669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52358353" y3="-2.65109264" z3="2.84382996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.74452615" y3="-3.73597423" z3="2.8252523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52686876" y3="-2.54767906" z3="2.50554574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44073616" y3="-1.94147762" z3="1.84753893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49428292" y3="-1.99847625" z3="2.17659674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.183021" y3="-0.87329897" z3="1.75318813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37298244" y3="-2.39280417" z3="0.84073028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88357825" y3="-2.52020211" z3="7.75722344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50640887" y3="-0.46577605" z3="6.73960579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39088377" y3="0.11491806" z3="6.45663762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03738377" y3="-1.81323171" z3="7.86684562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.40563913" y3="-0.0508311" z3="11.74274852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0420118" y3="0.18990947" z3="12.75908411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.46411486" y3="-1.15497264" z3="11.65013769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42838554" y3="0.34496374" z3="11.61999045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52101998" y3="0.51621814" z3="10.66984981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.59785227" y3="1.6132755" z3="10.79004819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53936604" y3="0.11964389" z3="10.83066944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.08931801" y3="0.17626366" z3="9.23498884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.10227789" y3="-0.91091148" z3="9.15012155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91662208" y3="0.3931674" z3="8.53659123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13366497" y3="0.95722688" z3="8.77405006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15434799" y3="1.06475495" z3="9.43930848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94193433" y3="1.67661203" z3="7.93722067">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6987,-1.5888,10.7627;-3.3927,-.6513,10.268;-3.4451,-1.5076,11.8357;-4.7982,-1.6902,10.6802;-2.9888,-2.7749,10.1195;-3.2525,-3.7174,10.6408;-1.8955,-2.6541,10.2053;-3.3164,-2.9496,8.6371;-4.4021,-3.1309,8.5169;-2.7638,-3.8207,8.2436;-1.7202,-1.6587,7.4388;-.232,-.2673,5.9731;.562,-.8608,6.4653;.0972,.7958,6.0155;-.2835,-.6766,4.4876;.7003,-.4745,4.0119;-1.0201,-.0343,3.9662;-.6475,-2.1475,4.2848;-1.6795,-2.3075,4.6463;-.0122,-2.764,4.9455;-.5236,-2.6511,2.8438;-.7445,-3.736,2.8253;.5269,-2.5477,2.5055;-1.4407,-1.9415,1.8475;-2.4943,-1.9985,2.1766;-1.183,-.8733,1.7532;-1.373,-2.3928,.8407;-.8836,-2.5202,7.7572;-1.5064,-.4658,6.7396;-2.3909,.1149,6.4566;-3.0374,-1.8132,7.8668;-.4056,-.0508,11.7427;-.042,.1899,12.7591;-.4641,-1.155,11.6501;-1.4284,.345,11.62;.521,.5162,10.6698;.5979,1.6133,10.79;1.5394,.1196,10.8307;.0893,.1763,9.235;-.1023,-.9109,9.1501;.9166,.3932,8.5366;-1.1337,.9572,8.7741;-2.1543,1.0648,9.4393;-.9419,1.6766,7.9372;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605258743208</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">0.006208595208 0.000993088515 0.024440291816 0.008706283132</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="126">-0.003321490 -0.002040363 0.000194084 0.000368465 0.000560952 0.000846199 0.001436568 0.001983072 0.002097078 0.002410497 0.003066844 0.003927192 0.004630620 0.004974117 0.005748756 0.007055912 0.007317104 0.008221664 0.010009090 0.010438509 0.011825991 0.013096925 0.015815420 0.019259233 0.021164272 0.024515724 0.027184766 0.028304248 0.031700191 0.034171613 0.036751484 0.039599176 0.040415237 0.042475097 0.045914854 0.046579636 0.048827203 0.050583308 0.051863911 0.052243687 0.055047080 0.057652861 0.058547358 0.059501599 0.061995255 0.067316586 0.069366258 0.070534096 0.072623072 0.075972890 0.077554889 0.078721433 0.079912570 0.082373023 0.083606356 0.089973143 0.092636994 0.099437493 0.100718890 0.106419788 0.109176009 0.111219999 0.113989736 0.115366241 0.119877145 0.129886634 0.135434545 0.138280409 0.143900525 0.145430980 0.149575754 0.162526713 0.169034067 0.172314952 0.176205194 0.180409009 0.184497042 0.189476264 0.197409159 0.210207336 0.223128312 0.225237029 0.249389549 0.252717885 0.260932449 0.293259258 0.310769060 0.342524913 0.408978481 0.418091326 0.431497253 0.477884089 0.521499082 0.546025700 0.592297427 0.615944760 0.661767725 0.666509802 0.737588805 0.751523533 0.755473949 0.759140008 0.771148970 0.778972527 0.787368549 0.797523787 0.799927882 0.805885011 0.814980258 0.821430592 0.823502777 0.847400844 0.850591828 0.854678228 0.865138544 0.888195486 0.892489167 0.900860290 0.905418641 0.919218725 0.920482678 0.933770626 0.953522341 0.978456534 1.524001800 1.586985183</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="-3.70205738" y3="-1.5928879" z3="10.7596554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39181204" y3="-0.65470512" z3="10.26868004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.45237851" y3="-1.51604567" z3="11.83401315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80154128" y3="-1.69268137" z3="10.67275995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99141056" y3="-2.77795894" z3="10.11467743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25693569" y3="-3.72191113" z3="10.63224201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89817278" y3="-2.65773716" z3="10.20369114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31683618" y3="-2.94800032" z3="8.63135685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40276166" y3="-3.1262122" z3="8.50838968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76528738" y3="-3.81853071" z3="8.23513293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71796985" y3="-1.65615906" z3="7.43826988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22908318" y3="-0.25835111" z3="5.97816732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56788962" y3="-0.85069487" z3="6.46461862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10055495" y3="0.80376765" z3="6.01570626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2920483" y3="-0.67253763" z3="4.49487047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68881879" y3="-0.47221111" z3="4.01218948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03199109" y3="-0.0315214" z3="3.97593469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65782509" y3="-2.14474544" z3="4.29758209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69219485" y3="-2.30195216" z3="4.65393653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.02698166" y3="-2.75996496" z3="4.9636339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52694585" y3="-2.6534259" z3="2.85931622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.75336044" y3="-3.73597603" z3="2.84189754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5255782" y3="-2.55630543" z3="2.52680763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.435719" y3="-1.94359867" z3="1.85561782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49247207" y3="-1.9981449" z3="2.17693902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17628974" y3="-0.87479566" z3="1.75958517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.36273292" y3="-2.39771232" z3="0.85061115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88572074" y3="-2.52496464" z3="7.74065338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49745955" y3="-0.45108623" z3="6.75728348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3831804" y3="0.12695462" z3="6.47260782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03367654" y3="-1.80889166" z3="7.86560774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.40301369" y3="-0.05673419" z3="11.73399381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.04536548" y3="0.18634488" z3="12.75373574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.46309671" y3="-1.15515592" z3="11.64228819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.418127" y3="0.33669641" z3="11.60027158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52191889" y3="0.52080733" z3="10.66257732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.57786304" y3="1.62427172" z3="10.78238203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.55225579" y3="0.14089653" z3="10.82092042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.09762128" y3="0.17061159" z3="9.22704515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.08304542" y3="-0.91766254" z3="9.14992874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.92545969" y3="0.39356588" z3="8.53011442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13278504" y3="0.9384724" z3="8.75892746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15536227" y3="1.04031466" z3="9.42364593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93068168" y3="1.675946" z3="7.94410727">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7021,-1.5929,10.7597;-3.3918,-.6547,10.2687;-3.4524,-1.516,11.834;-4.8015,-1.6927,10.6728;-2.9914,-2.778,10.1147;-3.2569,-3.7219,10.6322;-1.8982,-2.6577,10.2037;-3.3168,-2.948,8.6314;-4.4028,-3.1262,8.5084;-2.7653,-3.8185,8.2351;-1.718,-1.6562,7.4383;-.2291,-.2584,5.9782;.5679,-.8507,6.4646;.1006,.8038,6.0157;-.292,-.6725,4.4949;.6888,-.4722,4.0122;-1.032,-.0315,3.9759;-.6578,-2.1447,4.2976;-1.6922,-2.302,4.6539;-.027,-2.76,4.9636;-.5269,-2.6534,2.8593;-.7534,-3.736,2.8419;.5256,-2.5563,2.5268;-1.4357,-1.9436,1.8556;-2.4925,-1.9981,2.1769;-1.1763,-.8748,1.7596;-1.3627,-2.3977,.8506;-.8857,-2.525,7.7407;-1.4975,-.4511,6.7573;-2.3832,.127,6.4726;-3.0337,-1.8089,7.8656;-.403,-.0567,11.734;-.0454,.1863,12.7537;-.4631,-1.1552,11.6423;-1.4181,.3367,11.6003;.5219,.5208,10.6626;.5779,1.6243,10.7824;1.5523,.1409,10.8209;.0976,.1706,9.227;-.083,-.9177,9.1499;.9255,.3936,8.5301;-1.1328,.9385,8.7589;-2.1554,1.0403,9.4236;-.9307,1.6759,7.9441;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605251635137</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">0.005580117083 0.000917743872 0.030473665995 0.008698092643</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="126">-0.005606403 -0.000847731 0.000219536 0.000374056 0.000576968 0.000848813 0.001446268 0.001983056 0.002096713 0.002426962 0.003071819 0.003976211 0.004633540 0.005007656 0.005786929 0.007061863 0.007332164 0.008220756 0.010025370 0.010695062 0.011830350 0.013126088 0.016292571 0.019276110 0.021170813 0.024517716 0.027191014 0.028316625 0.031724268 0.034173612 0.036751509 0.039654277 0.040416368 0.042516473 0.045930030 0.046581604 0.048931047 0.051855612 0.052206215 0.052595650 0.055173703 0.057723533 0.058551593 0.059515701 0.062338991 0.067316812 0.069365982 0.070669068 0.072647321 0.076077750 0.077568048 0.078766270 0.079910327 0.082372162 0.083584429 0.089990498 0.092638832 0.099437661 0.100724141 0.106423342 0.109177366 0.111302159 0.113991517 0.115367215 0.119937016 0.129888554 0.135434119 0.138278720 0.143896391 0.145538532 0.149588099 0.162543286 0.169036204 0.172364312 0.176472732 0.180544318 0.184575919 0.189534145 0.197408032 0.210217171 0.223127369 0.225229695 0.249380726 0.252718238 0.260905269 0.293257512 0.310805116 0.342528749 0.409042911 0.418101177 0.431500939 0.477917593 0.522796602 0.546026623 0.592356061 0.615972549 0.661776802 0.668916846 0.737588506 0.751568802 0.755508820 0.760131633 0.771154354 0.778972754 0.787388624 0.797524295 0.800266954 0.805891834 0.814980560 0.821443909 0.823589835 0.847404822 0.850602855 0.854681541 0.865141942 0.888543310 0.892491115 0.900863007 0.905430795 0.919240545 0.921550464 0.933777759 0.953744415 0.978464679 1.524022785 1.587160403</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="-3.7018192" y3="-1.59338867" z3="10.76352535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3912504" y3="-0.65393894" z3="10.27470767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.4474085" y3="-1.52149666" z3="11.83694557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80178769" y3="-1.69034147" z3="10.68069561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99647849" y3="-2.7775361" z3="10.11139522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26243901" y3="-3.72341467" z3="10.62583607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90264854" y3="-2.66016504" z3="10.19731457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32705061" y3="-2.94027453" z3="8.62852558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4137309" y3="-3.11563837" z3="8.50818085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77835393" y3="-3.81032878" z3="8.22705998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72890323" y3="-1.64728838" z3="7.43701878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23866487" y3="-0.24990716" z3="5.97892309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55827353" y3="-0.84057115" z3="6.46635048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.08989871" y3="0.81190186" z3="6.01512728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29901021" y3="-0.66729639" z3="4.49684266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68144336" y3="-0.46499502" z3="4.01472821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04042785" y3="-0.03057089" z3="3.97528054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65847059" y3="-2.14098231" z3="4.30388526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69381985" y3="-2.30086529" z3="4.65530295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.02896059" y3="-2.75059683" z3="4.97627467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51742829" y3="-2.65608622" z3="2.86877637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73788008" y3="-3.74035441" z3="2.85571296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53654532" y3="-2.55542953" z3="2.54242265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42313317" y3="-1.95588727" z3="1.8549681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48072297" y3="-2.01316079" z3="2.16999324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.16800503" y3="-0.88632887" z3="1.75426858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34158472" y3="-2.41590699" z3="0.85242027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89724981" y3="-2.51800736" z3="7.73750824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50713992" y3="-0.44207562" z3="6.75773737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39136398" y3="0.13940284" z3="6.47607602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04385452" y3="-1.79852157" z3="7.86626995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.38714215" y3="-0.06967153" z3="11.72752619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.02803879" y3="0.17697201" z3="12.74336398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.43262305" y3="-1.16812473" z3="11.63901634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.41609899" y3="0.31056864" z3="11.60503379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52807309" y3="0.51737295" z3="10.65478604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.58397428" y3="1.61551939" z3="10.77566843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.55724592" y3="0.13898378" z3="10.80913116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.09745985" y3="0.17379205" z3="9.22100077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.07737907" y3="-0.91748991" z3="9.13843298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91919832" y3="0.4005539" z3="8.52112023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13800586" y3="0.94110763" z3="8.76343773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15802621" y3="1.03542459" z3="9.43399317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94357308" y3="1.68442914" z3="7.94978791">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7018,-1.5934,10.7635;-3.3913,-.6539,10.2747;-3.4474,-1.5215,11.8369;-4.8018,-1.6903,10.6807;-2.9965,-2.7775,10.1114;-3.2624,-3.7234,10.6258;-1.9026,-2.6602,10.1973;-3.3271,-2.9403,8.6285;-4.4137,-3.1156,8.5082;-2.7784,-3.8103,8.2271;-1.7289,-1.6473,7.437;-.2387,-.2499,5.9789;.5583,-.8406,6.4664;.0899,.8119,6.0151;-.299,-.6673,4.4968;.6814,-.465,4.0147;-1.0404,-.0306,3.9753;-.6585,-2.141,4.3039;-1.6938,-2.3009,4.6553;-.029,-2.7506,4.9763;-.5174,-2.6561,2.8688;-.7379,-3.7404,2.8557;.5365,-2.5554,2.5424;-1.4231,-1.9559,1.855;-2.4807,-2.0132,2.17;-1.168,-.8863,1.7543;-1.3416,-2.4159,.8524;-.8972,-2.518,7.7375;-1.5071,-.4421,6.7577;-2.3914,.1394,6.4761;-3.0439,-1.7985,7.8663;-.3871,-.0697,11.7275;-.028,.177,12.7434;-.4326,-1.1681,11.639;-1.4161,.3106,11.605;.5281,.5174,10.6548;.584,1.6155,10.7757;1.5572,.139,10.8091;.0975,.1738,9.221;-.0774,-.9175,9.1384;.9192,.4006,8.5211;-1.138,.9411,8.7634;-2.158,1.0354,9.434;-.9436,1.6844,7.9498;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605251776228</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">0.005784621590 0.000778361220 0.027204582514 0.008705558639</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="126">-0.005875049 -0.001152974 0.000195224 0.000362186 0.000539233 0.000849900 0.001443805 0.001990190 0.002097480 0.002423283 0.003074656 0.003975570 0.004630514 0.005002829 0.005815440 0.007064760 0.007329460 0.008231229 0.010025929 0.010774076 0.011836969 0.013131565 0.016578743 0.019270990 0.021171107 0.024517033 0.027236441 0.028438624 0.031763932 0.034173899 0.036751635 0.039649616 0.040415907 0.042521417 0.045927840 0.046581552 0.048926463 0.051853446 0.052213740 0.052743582 0.055207104 0.057778179 0.058559135 0.059516931 0.062461680 0.067316763 0.069368535 0.070653531 0.072648425 0.076316217 0.077572073 0.078967769 0.079967052 0.082380405 0.083889573 0.089995141 0.092641607 0.099440048 0.100724726 0.106425314 0.109177147 0.111302364 0.113993238 0.115368140 0.119940450 0.129888340 0.135439264 0.138290847 0.144104624 0.145575412 0.149673734 0.162543579 0.169037229 0.172400035 0.176622702 0.180712655 0.184599812 0.189539287 0.197409121 0.210228477 0.223180819 0.225335980 0.249397423 0.252720554 0.261005967 0.293281894 0.310819358 0.342549958 0.409148049 0.418127476 0.431501224 0.477916701 0.522935422 0.546031177 0.592354751 0.615972893 0.661785028 0.669971019 0.737616513 0.751569793 0.755508605 0.760219013 0.771155425 0.778973350 0.787390266 0.797525474 0.800263535 0.805891887 0.814981154 0.821443783 0.823632865 0.847405738 0.850647101 0.854934527 0.865142075 0.888777360 0.892495037 0.900895708 0.905457497 0.919248190 0.923636169 0.933778745 0.953774807 0.978468915 1.524023109 1.587170602</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="-3.70030142" y3="-1.59446828" z3="10.77128132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39067315" y3="-0.6533865" z3="10.28458586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43905299" y3="-1.52768002" z3="11.84347503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80113108" y3="-1.68988587" z3="10.69504954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99989194" y3="-2.77677773" z3="10.10974711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26419708" y3="-3.7249678" z3="10.62106552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90522026" y3="-2.66141628" z3="10.19022891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33884005" y3="-2.93235505" z3="8.62795859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42696228" y3="-3.09965414" z3="8.51229013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.79855387" y3="-3.80432387" z3="8.2202441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73878642" y3="-1.64345555" z3="7.43485584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.24793915" y3="-0.24090619" z3="5.98063587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55308719" y3="-0.82839258" z3="6.46781351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07761513" y3="0.82293079" z3="6.01322671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.31064343" y3="-0.66165355" z3="4.49923193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66775255" y3="-0.45322781" z3="4.01526612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.05704895" y3="-0.03017214" z3="3.97835109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65988807" y3="-2.13823062" z3="4.30769405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6968421" y3="-2.30410546" z3="4.65197937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.03151211" y3="-2.74185031" z3="4.9864886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50512412" y3="-2.65614404" z3="2.87460231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71750522" y3="-3.74197969" z3="2.86293693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.55058088" y3="-2.54847048" z3="2.55566961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.40838034" y3="-1.96500065" z3="1.85300383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46859516" y3="-2.03196557" z3="2.15916538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.16134286" y3="-0.89403674" z3="1.754493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.31438014" y3="-2.42415708" z3="0.85165677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.91053848" y3="-2.52081649" z3="7.72283279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51308642" y3="-0.4308726" z3="6.76622327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39723967" y3="0.15237683" z3="6.48736997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05182165" y3="-1.78976324" z3="7.86834641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.37650367" y3="-0.07068912" z3="11.72503473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.01336746" y3="0.17567748" z3="12.74172642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.41711106" y3="-1.17469841" z3="11.63118897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.3991598" y3="0.3090224" z3="11.59938149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53242812" y3="0.5139962" z3="10.64607053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.58275216" y3="1.61613146" z3="10.76652801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.56406525" y3="0.14061222" z3="10.79717139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.09557155" y3="0.16206495" z3="9.21605312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.08500199" y3="-0.92445181" z3="9.14302817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91650847" y3="0.38680342" z3="8.51265968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14063613" y3="0.92737436" z3="8.75788321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15929333" y3="1.0199272" z3="9.43268651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94215121" y3="1.68242567" z3="7.95519116">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7003,-1.5945,10.7713;-3.3907,-.6534,10.2846;-3.4391,-1.5277,11.8435;-4.8011,-1.6899,10.695;-2.9999,-2.7768,10.1097;-3.2642,-3.725,10.6211;-1.9052,-2.6614,10.1902;-3.3388,-2.9324,8.628;-4.427,-3.0997,8.5123;-2.7986,-3.8043,8.2202;-1.7388,-1.6435,7.4349;-.2479,-.2409,5.9806;.5531,-.8284,6.4678;.0776,.8229,6.0132;-.3106,-.6617,4.4992;.6678,-.4532,4.0153;-1.057,-.0302,3.9784;-.6599,-2.1382,4.3077;-1.6968,-2.3041,4.652;-.0315,-2.7419,4.9865;-.5051,-2.6561,2.8746;-.7175,-3.742,2.8629;.5506,-2.5485,2.5557;-1.4084,-1.965,1.853;-2.4686,-2.032,2.1592;-1.1613,-.894,1.7545;-1.3144,-2.4242,.8517;-.9105,-2.5208,7.7228;-1.5131,-.4309,6.7662;-2.3972,.1524,6.4874;-3.0518,-1.7898,7.8683;-.3765,-.0707,11.725;-.0134,.1757,12.7417;-.4171,-1.1747,11.6312;-1.3992,.309,11.5994;.5324,.514,10.6461;.5828,1.6161,10.7665;1.5641,.1406,10.7972;.0956,.1621,9.2161;-.085,-.9245,9.143;.9165,.3868,8.5127;-1.1406,.9274,8.7579;-2.1593,1.0199,9.4327;-.9422,1.6824,7.9552;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605236872440</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">0.006043705472 0.000980026727 0.029922321573 0.008700678360</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="126">-0.005957188 -0.001948476 0.000120379 0.000354559 0.000513457 0.000847842 0.001468556 0.001992244 0.002130151 0.002448735 0.003088021 0.003979227 0.004632734 0.005004715 0.005806738 0.007066928 0.007330366 0.008228205 0.010083421 0.010781272 0.011838358 0.013131956 0.016828642 0.019272571 0.021170980 0.024523274 0.027297443 0.028695448 0.031820556 0.034174635 0.036753218 0.039665189 0.040416630 0.042606254 0.045928409 0.046582234 0.048931878 0.051860614 0.052215116 0.052739705 0.055211271 0.057800125 0.058558042 0.059518644 0.062620334 0.067317279 0.069369963 0.070698139 0.072647921 0.076442223 0.077577157 0.079176327 0.080068668 0.082394535 0.084744583 0.090022408 0.092641424 0.099443508 0.100726010 0.106427267 0.109177037 0.111317428 0.113993383 0.115368281 0.119947347 0.129888303 0.135441936 0.138302606 0.144230348 0.145571948 0.149926733 0.162542645 0.169038126 0.172401226 0.176703656 0.180734869 0.184926276 0.189539055 0.197410761 0.210238297 0.223267489 0.225515847 0.249418300 0.252724497 0.261134967 0.293287240 0.310840368 0.342572008 0.409296449 0.418200442 0.431503011 0.477922389 0.522938720 0.546045859 0.592357170 0.615972777 0.661808754 0.671771874 0.737628095 0.751570413 0.755511054 0.760226833 0.771159428 0.778974627 0.787389662 0.797525418 0.800271202 0.805892475 0.814981145 0.821444041 0.823808047 0.847406317 0.850654669 0.855600362 0.865159501 0.889995068 0.892495501 0.900895153 0.905496546 0.919267613 0.925807881 0.933779180 0.953779030 0.978472259 1.524025516 1.587170653</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="-3.69369847" y3="-1.593416" z3="10.78255269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38354755" y3="-0.65255471" z3="10.29664632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42420905" y3="-1.53176006" z3="11.85310734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79515969" y3="-1.68339345" z3="10.71431935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.00405105" y3="-2.77598937" z3="10.11149897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27102087" y3="-3.72412907" z3="10.62007664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90887623" y3="-2.66741159" z3="10.18671818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3520525" y3="-2.92396418" z3="8.63093652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44216599" y3="-3.08429746" z3="8.52072318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81888986" y3="-3.79805101" z3="8.21720847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75096228" y3="-1.64124486" z3="7.43208446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.25828098" y3="-0.236657" z3="5.97876582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54448561" y3="-0.82298272" z3="6.46300678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.06547639" y3="0.82715354" z3="6.01142482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.32211129" y3="-0.65760084" z3="4.49803397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.65354755" y3="-0.44106698" z3="4.01172988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.07517183" y3="-0.03228586" z3="3.97860281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65885969" y3="-2.13779318" z3="4.30664214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69687914" y3="-2.31269792" z3="4.64386482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.03003804" y3="-2.73591995" z3="4.9895639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.48959302" y3="-2.65437685" z3="2.8751129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.68983947" y3="-3.74242734" z3="2.86111694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56713759" y3="-2.53467852" z3="2.56338271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.3936902" y3="-1.97289221" z3="1.84820316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.4555663" y3="-2.05559391" z3="2.14453172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.16109716" y3="-0.89784298" z3="1.75544937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.28445782" y3="-2.42735862" z3="0.84642566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92685303" y3="-2.52479415" z3="7.71167046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52141134" y3="-0.42716071" z3="6.76750246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.40428251" y3="0.16085285" z3="6.49463255">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06217693" y3="-1.78047217" z3="7.87339976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.36841189" y3="-0.0762467" z3="11.72372459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00413613" y3="0.17697286" z3="12.73690444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.41476429" y3="-1.17207934" z3="11.64220103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39816274" y3="0.30166023" z3="11.60618048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53689908" y3="0.5106179" z3="10.64124701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.58914654" y3="1.6101586" z3="10.75722386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5695041" y3="0.13761416" z3="10.78793907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.09601609" y3="0.15778712" z3="9.21149583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.07882891" y3="-0.93637066" z3="9.13553191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91472281" y3="0.38184371" z3="8.50569952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14285667" y3="0.92335785" z3="8.75878017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15995079" y3="1.01485539" z3="9.43532463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94324384" y3="1.68202347" z3="7.96118554">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6937,-1.5934,10.7826;-3.3835,-.6526,10.2966;-3.4242,-1.5318,11.8531;-4.7952,-1.6834,10.7143;-3.0041,-2.776,10.1115;-3.271,-3.7241,10.6201;-1.9089,-2.6674,10.1867;-3.3521,-2.924,8.6309;-4.4422,-3.0843,8.5207;-2.8189,-3.7981,8.2172;-1.751,-1.6412,7.4321;-.2583,-.2367,5.9788;.5445,-.823,6.463;.0655,.8272,6.0114;-.3221,-.6576,4.498;.6535,-.4411,4.0117;-1.0752,-.0323,3.9786;-.6589,-2.1378,4.3066;-1.6969,-2.3127,4.6439;-.03,-2.7359,4.9896;-.4896,-2.6544,2.8751;-.6898,-3.7424,2.8611;.5671,-2.5347,2.5634;-1.3937,-1.9729,1.8482;-2.4556,-2.0556,2.1445;-1.1611,-.8978,1.7554;-1.2845,-2.4274,.8464;-.9269,-2.5248,7.7117;-1.5214,-.4272,6.7675;-2.4043,.1609,6.4946;-3.0622,-1.7805,7.8734;-.3684,-.0762,11.7237;-.0041,.177,12.7369;-.4148,-1.1721,11.6422;-1.3982,.3017,11.6062;.5369,.5106,10.6412;.5891,1.6102,10.7572;1.5695,.1376,10.7879;.096,.1578,9.2115;-.0788,-.9364,9.1355;.9147,.3818,8.5057;-1.1429,.9234,8.7588;-2.16,1.0149,9.4353;-.9432,1.682,7.9612;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605208847754</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">0.007294163831 0.001226130658 0.028618967179 0.008705671712</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="126">-0.005930357 -0.002743223 0.000131795 0.000350835 0.000507324 0.000852263 0.001468211 0.001998803 0.002124186 0.002463615 0.003093277 0.003996506 0.004642614 0.005014372 0.005876463 0.007067642 0.007372171 0.008227824 0.010175850 0.010830453 0.011839438 0.013132478 0.016989843 0.019271823 0.021176534 0.024536907 0.027323652 0.028939855 0.031898493 0.034177245 0.036760198 0.039677207 0.040421291 0.042783895 0.045945392 0.046583763 0.048951791 0.051877999 0.052216358 0.052973542 0.055215693 0.057800826 0.058558492 0.059522362 0.062729969 0.067318104 0.069366751 0.070712663 0.072649862 0.076463662 0.077576023 0.079270332 0.080173325 0.082409867 0.085847423 0.090148758 0.092669559 0.099448619 0.100731215 0.106428465 0.109178417 0.111452510 0.113994918 0.115369018 0.119996988 0.129888753 0.135446252 0.138301456 0.144423457 0.145602111 0.150260900 0.162543468 0.169042347 0.172400614 0.176728343 0.180738102 0.185867817 0.189540032 0.197419558 0.210268788 0.223485806 0.225841675 0.249444361 0.252736480 0.261381261 0.293285152 0.310863640 0.342582785 0.409461482 0.418308440 0.431505032 0.477923018 0.523042077 0.546051498 0.592357291 0.615980240 0.661833276 0.673467925 0.737625829 0.751573502 0.755513142 0.760246222 0.771159333 0.778976610 0.787390644 0.797525496 0.800413523 0.805892539 0.814980871 0.821446144 0.824209094 0.847418197 0.850655394 0.857034470 0.865156230 0.892424463 0.892944160 0.900895483 0.905495967 0.919281978 0.928777902 0.933782051 0.953787600 0.978474251 1.524031603 1.587264807</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="-3.68730608" y3="-1.59213376" z3="10.79474674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37799889" y3="-0.65043279" z3="10.30933228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.40921695" y3="-1.53426391" z3="11.86332725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78984663" y3="-1.67885815" z3="10.73479305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.00558216" y3="-2.77500476" z3="10.11488634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27166995" y3="-3.72487882" z3="10.62214246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90888164" y3="-2.66960685" z3="10.18277281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36385141" y3="-2.91694596" z3="8.63609876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.45549294" y3="-3.0704925" z3="8.53251599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.8389075" y3="-3.79313398" z3="8.21687767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76220592" y3="-1.63903801" z3="7.43277894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26847041" y3="-0.237456" z3="5.9776995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5318336" y3="-0.82754735" z3="6.4598295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.05888056" y3="0.82424894" z3="6.01361248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.33090856" y3="-0.65386479" z3="4.49593383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.64268047" y3="-0.42937289" z3="4.00923544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.08823896" y3="-0.0323289" z3="3.97935778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6558513" y3="-2.13577478" z3="4.3012338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69358783" y3="-2.31970767" z3="4.63389449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.02514313" y3="-2.7292564" z3="4.98652666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.47407604" y3="-2.65018754" z3="2.87022407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.6612205" y3="-3.74119031" z3="2.85536379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.58275497" y3="-2.51819284" z3="2.56380618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.38066634" y3="-1.9789546" z3="1.83785855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.44332824" y3="-2.07685989" z3="2.12715373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.162371" y3="-0.89983239" z3="1.74825359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.25780536" y3="-2.43107504" z3="0.83570144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93960916" y3="-2.52498649" z3="7.71005403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53169452" y3="-0.42577537" z3="6.76648798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41293611" y3="0.16519354" z3="6.49592926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07217296" y3="-1.77356381" z3="7.87920807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.36412616" y3="-0.07043544" z3="11.72625419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00716057" y3="0.18387926" z3="12.73734119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.40552103" y3="-1.1771943" z3="11.64020703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38870236" y3="0.30715574" z3="11.60500493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53968505" y3="0.5041127" z3="10.63733688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.59543893" y3="1.60614473" z3="10.75087402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.57133649" y3="0.12863692" z3="10.78240006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.09075757" y3="0.14727268" z3="9.21140957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.09922978" y3="-0.93637742" z3="9.14707909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90667432" y3="0.36147176" z3="8.5002709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14410913" y3="0.92072394" z3="8.76103253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15926542" y3="1.01423789" z3="9.44219044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94556995" y3="1.68103291" z3="7.96333553">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6873,-1.5921,10.7947;-3.378,-.6504,10.3093;-3.4092,-1.5343,11.8633;-4.7898,-1.6789,10.7348;-3.0056,-2.775,10.1149;-3.2717,-3.7249,10.6221;-1.9089,-2.6696,10.1828;-3.3639,-2.9169,8.6361;-4.4555,-3.0705,8.5325;-2.8389,-3.7931,8.2169;-1.7622,-1.639,7.4328;-.2685,-.2375,5.9777;.5318,-.8275,6.4598;.0589,.8242,6.0136;-.3309,-.6539,4.4959;.6427,-.4294,4.0092;-1.0882,-.0323,3.9794;-.6559,-2.1358,4.3012;-1.6936,-2.3197,4.6339;-.0251,-2.7293,4.9865;-.4741,-2.6502,2.8702;-.6612,-3.7412,2.8554;.5828,-2.5182,2.5638;-1.3807,-1.979,1.8379;-2.4433,-2.0769,2.1272;-1.1624,-.8998,1.7483;-1.2578,-2.4311,.8357;-.9396,-2.525,7.7101;-1.5317,-.4258,6.7665;-2.4129,.1652,6.4959;-3.0722,-1.7736,7.8792;-.3641,-.0704,11.7263;.0072,.1839,12.7373;-.4055,-1.1772,11.6402;-1.3887,.3072,11.605;.5397,.5041,10.6373;.5954,1.6061,10.7509;1.5713,.1286,10.7824;.0908,.1473,9.2114;-.0992,-.9364,9.1471;.9067,.3615,8.5003;-1.1441,.9207,8.761;-2.1593,1.0142,9.4422;-.9456,1.681,7.9633;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605187565644</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">0.007940423508 0.001333475400 0.024095521101 0.008705478692</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="126">-0.006217567 -0.002639725 0.000181354 0.000351520 0.000494504 0.000852113 0.001479413 0.001998583 0.002133936 0.002462632 0.003094285 0.003998117 0.004645215 0.005032830 0.005914577 0.007067706 0.007442324 0.008234292 0.010159811 0.010966075 0.011855669 0.013135814 0.017085025 0.019299211 0.021222255 0.024559752 0.027330614 0.029066180 0.031987029 0.034177158 0.036778188 0.039681699 0.040428484 0.042927293 0.045993839 0.046585331 0.048982527 0.051884594 0.052217794 0.053256911 0.055242914 0.057804231 0.058558112 0.059526660 0.062802112 0.067318760 0.069367070 0.070721467 0.072666206 0.076463655 0.077579561 0.079328120 0.080236243 0.082425371 0.086440409 0.090307947 0.092690342 0.099449819 0.100734643 0.106428519 0.109188428 0.111690352 0.113995233 0.115369348 0.120056019 0.129892571 0.135448472 0.138301275 0.144545802 0.145689014 0.150533409 0.162588192 0.169042344 0.172400525 0.176739307 0.180776266 0.187192202 0.189562838 0.197464326 0.210345373 0.223665550 0.226416082 0.249459984 0.252740570 0.261883716 0.293389207 0.310915386 0.342619367 0.409588332 0.418386555 0.431507254 0.477925904 0.523086171 0.546056285 0.592388570 0.615986849 0.661833926 0.675441472 0.737648072 0.751573255 0.755516876 0.760288905 0.771174936 0.778977788 0.787406759 0.797525448 0.800767673 0.805892607 0.814983348 0.821456909 0.825153987 0.847420914 0.850658409 0.858831560 0.865154487 0.892466374 0.896185202 0.900895828 0.905495955 0.919290856 0.932454014 0.933786890 0.953819489 0.978480629 1.524052397 1.587491375</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="-3.67965489" y3="-1.59257847" z3="10.8054878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37209526" y3="-0.65008558" z3="10.32008047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39451825" y3="-1.53798628" z3="11.87238117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78280642" y3="-1.67742185" z3="10.75287856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.00484783" y3="-2.77521542" z3="10.11847627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27071805" y3="-3.72546619" z3="10.62473006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90775226" y3="-2.67371454" z3="10.18051864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.37243758" y3="-2.91273575" z3="8.64149872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.46561253" y3="-3.05908138" z3="8.54423545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85580334" y3="-3.79186924" z3="8.21806244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76974273" y3="-1.64189604" z3="7.43209386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.27403365" y3="-0.23855651" z3="5.97861716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52950588" y3="-0.82768969" z3="6.46119569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.05130777" y3="0.82581785" z3="6.01440429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.33819023" y3="-0.65275918" z3="4.49559021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.63310029" y3="-0.4199909" z3="4.00797626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.10082694" y3="-0.03427651" z3="3.98229129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65383931" y3="-2.1361331" z3="4.29548421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.69173181" y3="-2.32763812" z3="4.62380296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.02210341" y3="-2.7278934" z3="4.9809675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4628744" y3="-2.64466238" z3="2.86335062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.6406071" y3="-3.73669682" z3="2.84434375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5940485" y3="-2.50215613" z3="2.56143624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.37056324" y3="-1.97811307" z3="1.82971553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.43377962" y3="-2.08924509" z3="2.11244962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.16259698" y3="-0.89732076" z3="1.74748098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.23756338" y3="-2.42254493" z3="0.82622051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95067378" y3="-2.53272309" z3="7.70324416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53600204" y3="-0.42701671" z3="6.76959536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41631511" y3="0.16738418" z3="6.50243495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07823108" y3="-1.77030492" z3="7.8840659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.36086447" y3="-0.05971969" z3="11.72855939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01381895" y3="0.20127306" z3="12.73627764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.41963238" y3="-1.15716876" z3="11.66051395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.385917" y3="0.32999408" z3="11.61355589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5409462" y3="0.50058212" z3="10.63152645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60697242" y3="1.6003598" z3="10.73198161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.56791194" y3="0.11645036" z3="10.77784835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.08325376" y3="0.13444441" z3="9.2121424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.1080899" y3="-0.95741029" z3="9.15207172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90005243" y3="0.33737624" z3="8.49765043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14689988" y3="0.91103887" z3="8.75798759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16348752" y3="1.01086818" z3="9.43392062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93846757" y3="1.67186894" z3="7.96322616">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6797,-1.5926,10.8055;-3.3721,-.6501,10.3201;-3.3945,-1.538,11.8724;-4.7828,-1.6774,10.7529;-3.0048,-2.7752,10.1185;-3.2707,-3.7255,10.6247;-1.9078,-2.6737,10.1805;-3.3724,-2.9127,8.6415;-4.4656,-3.0591,8.5442;-2.8558,-3.7919,8.2181;-1.7697,-1.6419,7.4321;-.274,-.2386,5.9786;.5295,-.8277,6.4612;.0513,.8258,6.0144;-.3382,-.6528,4.4956;.6331,-.42,4.008;-1.1008,-.0343,3.9823;-.6538,-2.1361,4.2955;-1.6917,-2.3276,4.6238;-.0221,-2.7279,4.981;-.4629,-2.6447,2.8634;-.6406,-3.7367,2.8443;.594,-2.5022,2.5614;-1.3706,-1.9781,1.8297;-2.4338,-2.0892,2.1124;-1.1626,-.8973,1.7475;-1.2376,-2.4225,.8262;-.9507,-2.5327,7.7032;-1.536,-.427,6.7696;-2.4163,.1674,6.5024;-3.0782,-1.7703,7.8841;-.3609,-.0597,11.7286;.0138,.2013,12.7363;-.4196,-1.1572,11.6605;-1.3859,.33,11.6136;.5409,.5006,10.6315;.607,1.6004,10.732;1.5679,.1165,10.7778;.0833,.1344,9.2121;-.1081,-.9574,9.1521;.9001,.3374,8.4977;-1.1469,.911,8.758;-2.1635,1.0109,9.4339;-.9385,1.6719,7.9632;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605191815154</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">0.006382051132 0.001104988919 0.026488597404 0.008700578252</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="126">-0.006669821 -0.001724654 0.000206031 0.000352486 0.000489992 0.000864773 0.001476402 0.002010785 0.002171703 0.002464882 0.003093394 0.003998111 0.004645129 0.005057899 0.005916135 0.007067827 0.007488164 0.008243469 0.010251552 0.011020563 0.011882384 0.013137578 0.017130775 0.019352872 0.021291260 0.024579965 0.027332152 0.029114752 0.032045104 0.034177618 0.036803627 0.039681297 0.040434289 0.042986595 0.046055926 0.046586094 0.049000737 0.051883930 0.052218333 0.053279305 0.055247637 0.057809710 0.058559854 0.059527665 0.062810139 0.067319697 0.069373327 0.070936555 0.072706484 0.076472610 0.077589814 0.079369839 0.080260321 0.082428477 0.086593860 0.090352583 0.092691691 0.099450126 0.100735811 0.106428768 0.109211926 0.111809032 0.113995569 0.115370686 0.120089283 0.129900214 0.135448514 0.138308048 0.144582259 0.145763633 0.150596592 0.162657946 0.169044861 0.172402811 0.176760204 0.180781976 0.188004047 0.189710823 0.197487994 0.210363637 0.223882824 0.227006336 0.249473408 0.252740194 0.262963443 0.293421101 0.310955166 0.342656049 0.409729181 0.418388363 0.431514514 0.477928122 0.523112411 0.546068446 0.592459255 0.615991436 0.661873124 0.677213025 0.737709524 0.751574363 0.755521726 0.760287466 0.771188051 0.778978030 0.787408085 0.797525618 0.800975109 0.805892772 0.814984376 0.821470228 0.826040275 0.847421222 0.850662237 0.860380427 0.865151290 0.892466397 0.898137256 0.900897083 0.905504732 0.919301711 0.933781197 0.935461963 0.953868477 0.978481846 1.524209911 1.587854418</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="-3.66824049" y3="-1.59077001" z3="10.81218969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.35921366" y3="-0.6504699" z3="10.32454342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37801949" y3="-1.53593237" z3="11.87768214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77149304" y3="-1.67005419" z3="10.76463844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.00279828" y3="-2.77713908" z3="10.12374182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.27184762" y3="-3.72478107" z3="10.63240717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.90522792" y3="-2.68135034" z3="10.18125339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.37653441" y3="-2.9149834" z3="8.64822748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.47044433" y3="-3.0594813" z3="8.55587317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.86342881" y3="-3.79602816" z3="8.22433327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77527861" y3="-1.6491811" z3="7.43012252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.27753237" y3="-0.24912076" z3="5.97503844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.51976525" y3="-0.84456926" z3="6.45531738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.05231545" y3="0.81165168" z3="6.01946412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.33521175" y3="-0.65515229" z3="4.49027418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.63689503" y3="-0.41906212" z3="4.00640662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.09756763" y3="-0.0362157" z3="3.97734748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6466506" y3="-2.13884854" z3="4.28395586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6831284" y3="-2.33481537" z3="4.61366886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01147057" y3="-2.73189956" z3="4.96583223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.45651212" y3="-2.63943735" z3="2.84932095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.63009387" y3="-3.73175386" z3="2.82486438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59877679" y3="-2.49174023" z3="2.54593078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.36870238" y3="-1.97108107" z3="1.82124374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.43073012" y3="-2.08969126" z3="2.1042278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.1676381" y3="-0.88805781" z3="1.74511997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.23402106" y3="-2.40856531" z3="0.81488985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.95665881" y3="-2.53930727" z3="7.70413896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54317232" y3="-0.44029952" z3="6.75868923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.42213933" y3="0.15703714" z3="6.49410419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.08321667" y3="-1.77443289" z3="7.88810368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.36848829" y3="-0.04292375" z3="11.74016573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.01476846" y3="0.21928384" z3="12.74503907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.43764532" y3="-1.14563836" z3="11.67424109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.38615256" y3="0.35648268" z3="11.6215525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53983693" y3="0.4979838" z3="10.63650024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61731486" y3="1.60095302" z3="10.73308401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5671534" y3="0.10444329" z3="10.77874484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0760245" y3="0.12930088" z3="9.21754929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13123544" y3="-0.95472817" z3="9.16651127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89135772" y3="0.31866656" z3="8.49865398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14815471" y3="0.91813544" z3="8.76503301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16454022" y3="1.02566948" z3="9.44087118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93938088" y3="1.66729088" z3="7.96147542">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6682,-1.5908,10.8122;-3.3592,-.6505,10.3245;-3.378,-1.5359,11.8777;-4.7715,-1.6701,10.7646;-3.0028,-2.7771,10.1237;-3.2718,-3.7248,10.6324;-1.9052,-2.6814,10.1813;-3.3765,-2.915,8.6482;-4.4704,-3.0595,8.5559;-2.8634,-3.796,8.2243;-1.7753,-1.6492,7.4301;-.2775,-.2491,5.975;.5198,-.8446,6.4553;.0523,.8117,6.0195;-.3352,-.6552,4.4903;.6369,-.4191,4.0064;-1.0976,-.0362,3.9773;-.6467,-2.1388,4.284;-1.6831,-2.3348,4.6137;-.0115,-2.7319,4.9658;-.4565,-2.6394,2.8493;-.6301,-3.7318,2.8249;.5988,-2.4917,2.5459;-1.3687,-1.9711,1.8212;-2.4307,-2.0897,2.1042;-1.1676,-.8881,1.7451;-1.234,-2.4086,.8149;-.9567,-2.5393,7.7041;-1.5432,-.4403,6.7587;-2.4221,.157,6.4941;-3.0832,-1.7744,7.8881;-.3685,-.0429,11.7402;.0148,.2193,12.745;-.4376,-1.1456,11.6742;-1.3862,.3565,11.6216;.5398,.498,10.6365;.6173,1.601,10.7331;1.5672,.1044,10.7787;.076,.1293,9.2175;-.1312,-.9547,9.1665;.8914,.3187,8.4987;-1.1482,.9181,8.765;-2.1645,1.0257,9.4409;-.9394,1.6673,7.9615;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605207675717</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">0.003472165189 0.000747909135 0.029785673248 0.008705622095</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="126">-0.006761254 -0.001297482 0.000177235 0.000470798 0.000520156 0.000871746 0.001476247 0.002017138 0.002185302 0.002473083 0.003096823 0.004003995 0.004653741 0.005138432 0.005917323 0.007068563 0.007508188 0.008250384 0.010344572 0.011021955 0.011887151 0.013144178 0.017181114 0.019384467 0.021326752 0.024588010 0.027333153 0.029127270 0.032059692 0.034180110 0.036811871 0.039688391 0.040434939 0.042990146 0.046084403 0.046586675 0.049001758 0.051885430 0.052218403 0.053343169 0.055259787 0.057810352 0.058566029 0.059541497 0.062821553 0.067320937 0.069388594 0.071149448 0.072773665 0.076495180 0.077603050 0.079407708 0.080272645 0.082430007 0.086667729 0.090350527 0.092692497 0.099450197 0.100736061 0.106431548 0.109228103 0.111821061 0.113995719 0.115375762 0.120090311 0.129905283 0.135449914 0.138311597 0.144588364 0.145801306 0.150598362 0.162706732 0.169054306 0.172407696 0.176789680 0.180786355 0.188185018 0.189936547 0.197508498 0.210367116 0.223955303 0.227158757 0.249490634 0.252745259 0.263967181 0.293422016 0.310981876 0.342697688 0.409833694 0.418391560 0.431530909 0.477928178 0.523285619 0.546095279 0.592561789 0.615998802 0.661957566 0.678462157 0.737777728 0.751587469 0.755532137 0.760500481 0.771216308 0.778985006 0.787408623 0.797525575 0.800982727 0.805894899 0.814987046 0.821480757 0.826827378 0.847431782 0.850664274 0.861178350 0.865158916 0.892467128 0.898559342 0.900897003 0.905505132 0.919303320 0.933784721 0.936308614 0.953907629 0.978536257 1.524525302 1.588033129</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="-3.66254139" y3="-1.59197649" z3="10.80975755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3534454" y3="-0.65191453" z3="10.32078633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37457211" y3="-1.53452461" z3="11.87563437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76599678" y3="-1.6719369" z3="10.76024662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99516632" y3="-2.78030987" z3="10.12537401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26362642" y3="-3.72731338" z3="10.63690128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89730759" y3="-2.68324975" z3="10.1833923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.36781437" y3="-2.9225407" z3="8.64993118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.46120182" y3="-3.07067428" z3="8.55774991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.85221723" y3="-3.80324996" z3="8.22868801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76886107" y3="-1.65492499" z3="7.43041379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.27262043" y3="-0.25718837" z3="5.97341499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.52481438" y3="-0.85223429" z3="6.4582892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.05665158" y3="0.80559929" z3="6.01809027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.3265326" y3="-0.66107489" z3="4.48727983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.64847433" y3="-0.42875707" z3="4.00706209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.08344317" y3="-0.03694847" z3="3.97324418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6464028" y3="-2.14122052" z3="4.27682274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.682571" y3="-2.33216087" z3="4.61026126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01200029" y3="-2.74030822" z3="4.95385576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.46489551" y3="-2.63779572" z3="2.83924728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.64358589" y3="-3.72973584" z3="2.81212877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.59033351" y3="-2.49416058" z3="2.53189048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.37824923" y3="-1.96106095" z3="1.81649189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.43927289" y3="-2.07092584" z3="2.10567015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.16868204" y3="-0.88027541" z3="1.73987444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.25272884" y3="-2.39906285" z3="0.80880856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.94742123" y3="-2.54163531" z3="7.71106023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.54072482" y3="-0.44985752" z3="6.75234128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.419563" y3="0.14700283" z3="6.48689942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07769058" y3="-1.783208" z3="7.88716236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.38045879" y3="-0.02614085" z3="11.74671604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="0.00310894" y3="0.23614633" z3="12.75027534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.46555318" y3="-1.12551326" z3="11.68716859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.39467961" y3="0.38626836" z3="11.62787616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.53580511" y3="0.49818663" z3="10.6439764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63168562" y3="1.59658592" z3="10.73357593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.55122903" y3="0.08920133" z3="10.79486039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06933659" y3="0.12909102" z3="9.22783335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14472639" y3="-0.95604283" z3="9.17729245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88794692" y3="0.31018027" z3="8.50967368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14548355" y3="0.9243991" z3="8.7698933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16388616" y3="1.04079789" z3="9.43784538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93382529" y3="1.66385147" z3="7.95661533">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6625,-1.592,10.8098;-3.3534,-.6519,10.3208;-3.3746,-1.5345,11.8756;-4.766,-1.6719,10.7602;-2.9952,-2.7803,10.1254;-3.2636,-3.7273,10.6369;-1.8973,-2.6832,10.1834;-3.3678,-2.9225,8.6499;-4.4612,-3.0707,8.5577;-2.8522,-3.8032,8.2287;-1.7689,-1.6549,7.4304;-.2726,-.2572,5.9734;.5248,-.8522,6.4583;.0567,.8056,6.0181;-.3265,-.6611,4.4873;.6485,-.4288,4.0071;-1.0834,-.0369,3.9732;-.6464,-2.1412,4.2768;-1.6826,-2.3322,4.6103;-.012,-2.7403,4.9539;-.4649,-2.6378,2.8392;-.6436,-3.7297,2.8121;.5903,-2.4942,2.5319;-1.3782,-1.9611,1.8165;-2.4393,-2.0709,2.1057;-1.1687,-.8803,1.7399;-1.2527,-2.3991,.8088;-.9474,-2.5416,7.7111;-1.5407,-.4499,6.7523;-2.4196,.147,6.4869;-3.0777,-1.7832,7.8872;-.3805,-.0261,11.7467;.0031,.2361,12.7503;-.4656,-1.1255,11.6872;-1.3947,.3863,11.6279;.5358,.4982,10.644;.6317,1.5966,10.7336;1.5512,.0892,10.7949;.0693,.1291,9.2278;-.1447,-.956,9.1773;.8879,.3102,8.5097;-1.1455,.9244,8.7699;-2.1639,1.0408,9.4378;-.9338,1.6639,7.9566;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605241697365</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">0.002473764577 0.000553718129 0.027659438414 0.008703006384</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="126">-0.006762434 -0.000699156 0.000127174 0.000429064 0.000499504 0.000885549 0.001475282 0.002029836 0.002202771 0.002473097 0.003096173 0.004005906 0.004659064 0.005269752 0.005918856 0.007070249 0.007515976 0.008258090 0.010381562 0.011024753 0.011887700 0.013165957 0.017220363 0.019384061 0.021344772 0.024590971 0.027334380 0.029127289 0.032058971 0.034184772 0.036812650 0.039707855 0.040436321 0.042991237 0.046101017 0.046586664 0.049002714 0.051889078 0.052220253 0.053535977 0.055283644 0.057829945 0.058571623 0.059545567 0.062846239 0.067321053 0.069399166 0.071376999 0.072804395 0.076548504 0.077613333 0.079428429 0.080273863 0.082436530 0.086706567 0.090372672 0.092696477 0.099451474 0.100740415 0.106435727 0.109247252 0.111820952 0.113998894 0.115377493 0.120093797 0.129906093 0.135454987 0.138319340 0.144617137 0.145888058 0.150639124 0.162742160 0.169055379 0.172412807 0.176791355 0.180790190 0.188202422 0.189987722 0.197508107 0.210369991 0.223986533 0.227227641 0.249507795 0.252747359 0.264763983 0.293430135 0.311000067 0.342701329 0.409951709 0.418392219 0.431533908 0.477928226 0.523520242 0.546176854 0.592687724 0.616010381 0.662044993 0.679211656 0.737804887 0.751601081 0.755536224 0.760768531 0.771229159 0.778985403 0.787412639 0.797526563 0.801152255 0.805905511 0.815005045 0.821489078 0.827254095 0.847436106 0.850682371 0.861598971 0.865180902 0.892469290 0.898653854 0.900902185 0.905519869 0.919307801 0.933785269 0.936509585 0.954021951 0.978542296 1.524557593 1.588200391</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="-3.66037227" y3="-1.59058731" z3="10.80079683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.34932137" y3="-0.65294459" z3="10.30901561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.37769187" y3="-1.52774711" z3="11.8678197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76335724" y3="-1.67030861" z3="10.74598298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9903552" y3="-2.78209732" z3="10.1255614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.26173168" y3="-3.72567172" z3="10.64048932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89320677" y3="-2.68543939" z3="10.18802469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.35663232" y3="-2.93163723" z3="8.64923702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.44905765" y3="-3.08501721" z3="8.55349917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.83532055" y3="-3.81172443" z3="8.23341511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75834775" y3="-1.66190031" z3="7.43097993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.26234749" y3="-0.26600726" z3="5.97345211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53075143" y3="-0.86508058" z3="6.45684728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07068882" y3="0.79406342" z3="6.02218297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.31511238" y3="-0.66597256" z3="4.4865643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.66235015" y3="-0.43941715" z3="4.00871948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.06785057" y3="-0.03632467" z3="3.97202435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6448226" y3="-2.14439831" z3="4.27280483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68030083" y3="-2.33010376" z3="4.61191292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00906679" y3="-2.74970135" z3="4.94317338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.4773418" y3="-2.63755491" z3="2.83268589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.66843043" y3="-3.72664231" z3="2.80305441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.57647282" y3="-2.50406494" z3="2.51832758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.39120337" y3="-1.94895624" z3="1.8193091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.45114324" y3="-2.04863217" z3="2.11729021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17101704" y3="-0.86990053" z3="1.74268433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.28038827" y3="-2.3858899" z3="0.8101828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.93452965" y3="-2.54458526" z3="7.71888472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.53301465" y3="-0.46017301" z3="6.74774196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.41245931" y3="0.13494014" z3="6.47997525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.06892867" y3="-1.79395352" z3="7.88355298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.39264457" y3="-0.01527749" z3="11.75449338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.00762035" y3="0.24290858" z3="12.76005464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.48363859" y3="-1.11562377" z3="11.69433743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.40422046" y3="0.40400696" z3="11.63485739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5289283" y3="0.50208553" z3="10.65128173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62649519" y3="1.60385959" z3="10.74068972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.54808079" y3="0.09014547" z3="10.80076206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06684749" y3="0.13244541" z3="9.23289787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14938925" y3="-0.95186382" z3="9.18275664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8869582" y3="0.30967132" z3="8.51689301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14563795" y3="0.93031771" z3="8.77079173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16675884" y3="1.04836553" z3="9.43489306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93267319" y3="1.66177643" z3="7.95147157">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6604,-1.5906,10.8008;-3.3493,-.6529,10.309;-3.3777,-1.5277,11.8678;-4.7634,-1.6703,10.746;-2.9904,-2.7821,10.1256;-3.2617,-3.7257,10.6405;-1.8932,-2.6854,10.188;-3.3566,-2.9316,8.6492;-4.4491,-3.085,8.5535;-2.8353,-3.8117,8.2334;-1.7583,-1.6619,7.431;-.2623,-.266,5.9735;.5308,-.8651,6.4568;.0707,.7941,6.0222;-.3151,-.666,4.4866;.6624,-.4394,4.0087;-1.0679,-.0363,3.972;-.6448,-2.1444,4.2728;-1.6803,-2.3301,4.6119;-.0091,-2.7497,4.9432;-.4773,-2.6376,2.8327;-.6684,-3.7266,2.8031;.5765,-2.5041,2.5183;-1.3912,-1.949,1.8193;-2.4511,-2.0486,2.1173;-1.171,-.8699,1.7427;-1.2804,-2.3859,.8102;-.9345,-2.5446,7.7189;-1.533,-.4602,6.7477;-2.4125,.1349,6.48;-3.0689,-1.794,7.8836;-.3926,-.0153,11.7545;-.0076,.2429,12.7601;-.4836,-1.1156,11.6943;-1.4042,.404,11.6349;.5289,.5021,10.6513;.6265,1.6039,10.7407;1.5481,.0901,10.8008;.0668,.1324,9.2329;-.1494,-.9519,9.1828;.887,.3097,8.5169;-1.1456,.9303,8.7708;-2.1668,1.0484,9.4349;-.9327,1.6618,7.9515;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605271761471</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">0.002507086409 0.000508953018 0.027007047778 0.008706855798</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="126">-0.006766206 -0.000519194 0.000116651 0.000418912 0.000504024 0.000891253 0.001478985 0.002045922 0.002226456 0.002474656 0.003096478 0.004006555 0.004662824 0.005442385 0.005926830 0.007079762 0.007540428 0.008261387 0.010390924 0.011046825 0.011889707 0.013210411 0.017242454 0.019385473 0.021363691 0.024590991 0.027339890 0.029127594 0.032061161 0.034184860 0.036813287 0.039740102 0.040437094 0.042994003 0.046118257 0.046586782 0.049006674 0.051891612 0.052223225 0.053649059 0.055322128 0.057862224 0.058574054 0.059546554 0.062912984 0.067321367 0.069408306 0.071486647 0.072825309 0.076592642 0.077620997 0.079442062 0.080278801 0.082448517 0.086777383 0.090455346 0.092700132 0.099455716 0.100753313 0.106445207 0.109262804 0.111822567 0.114005190 0.115378156 0.120097684 0.129907047 0.135463847 0.138327539 0.144732637 0.146127236 0.150682961 0.162764427 0.169062330 0.172414754 0.176802157 0.180796436 0.188202750 0.189998998 0.197515222 0.210408834 0.224004199 0.227229372 0.249519156 0.252754872 0.265232861 0.293434676 0.311005025 0.342706097 0.410101735 0.418393284 0.431535919 0.477934383 0.523521263 0.546262099 0.592766080 0.616026882 0.662112312 0.679631132 0.737837762 0.751615631 0.755535948 0.760852470 0.771229743 0.778986006 0.787470305 0.797527315 0.801733337 0.805913106 0.815016092 0.821493086 0.827473185 0.847444126 0.850696194 0.861705132 0.865185337 0.892469564 0.898715193 0.900906496 0.905520574 0.919312253 0.933792016 0.936518196 0.954286598 0.978542539 1.524561607 1.588391775</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="-3.66489254" y3="-1.59131137" z3="10.79360199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.35305694" y3="-0.65423241" z3="10.30114709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39050889" y3="-1.52391311" z3="11.86252112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76746692" y3="-1.67479691" z3="10.73073067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98552634" y3="-2.7831023" z3="10.12696414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2544696" y3="-3.72644312" z3="10.64499735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88844292" y3="-2.68010538" z3="10.19407436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.34389446" y3="-2.94041692" z3="8.64948388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.43493251" y3="-3.10158147" z3="8.54911774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.81452756" y3="-3.81836266" z3="8.23929342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74771943" y3="-1.66661943" z3="7.43281506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2531028" y3="-0.27246449" z3="5.97281337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54064975" y3="-0.87025654" z3="6.4600055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.07817526" y3="0.78953381" z3="6.02123417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.3037161" y3="-0.67207689" z3="4.48511558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.67661381" y3="-0.45267658" z3="4.00959472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.04953099" y3="-0.03567789" z3="3.96966234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64556073" y3="-2.14672529" z3="4.26994418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67978618" y3="-2.3246043" z3="4.61612246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00992581" y3="-2.75832923" z3="4.93471383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.49177596" y3="-2.63819127" z3="2.82771037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69161155" y3="-3.72681339" z3="2.79733176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.56182097" y3="-2.5123822" z3="2.5068011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.40651171" y3="-1.93925019" z3="1.82152829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.46529107" y3="-2.02523079" z3="2.12814362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17319598" y3="-0.8630744" z3="1.743299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.30739532" y3="-2.37873676" z3="0.81124014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.92090388" y3="-2.54420405" z3="7.72792119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.52543229" y3="-0.46803437" z3="6.74377335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.4057625" y3="0.12389763" z3="6.47246335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.05966878" y3="-1.80343817" z3="7.88150585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.40524117" y3="-0.00924275" z3="11.75547563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0240075" y3="0.24824814" z3="12.76033385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.50477338" y3="-1.10756551" z3="11.69334707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.41127597" y3="0.41505935" z3="11.62842356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.52616555" y3="0.50507943" z3="10.65929638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.63270833" y3="1.60270366" z3="10.74820548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53657066" y3="0.08642845" z3="10.81823882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06902713" y3="0.13861784" z3="9.23812422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14636776" y3="-0.94491777" z3="9.18577929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89200431" y3="0.31939496" z3="8.52427267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14191509" y3="0.93608559" z3="8.77287054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16407647" y3="1.05718538" z3="9.43296478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92983048" y3="1.661931" z3="7.94936958">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6649,-1.5913,10.7936;-3.3531,-.6542,10.3011;-3.3905,-1.5239,11.8625;-4.7675,-1.6748,10.7307;-2.9855,-2.7831,10.127;-3.2545,-3.7264,10.645;-1.8884,-2.6801,10.1941;-3.3439,-2.9404,8.6495;-4.4349,-3.1016,8.5491;-2.8145,-3.8184,8.2393;-1.7477,-1.6666,7.4328;-.2531,-.2725,5.9728;.5406,-.8703,6.46;.0782,.7895,6.0212;-.3037,-.6721,4.4851;.6766,-.4527,4.0096;-1.0495,-.0357,3.9697;-.6456,-2.1467,4.2699;-1.6798,-2.3246,4.6161;-.0099,-2.7583,4.9347;-.4918,-2.6382,2.8277;-.6916,-3.7268,2.7973;.5618,-2.5124,2.5068;-1.4065,-1.9393,1.8215;-2.4653,-2.0252,2.1281;-1.1732,-.8631,1.7433;-1.3074,-2.3787,.8112;-.9209,-2.5442,7.7279;-1.5254,-.468,6.7438;-2.4058,.1239,6.4725;-3.0597,-1.8034,7.8815;-.4052,-.0092,11.7555;-.024,.2482,12.7603;-.5048,-1.1076,11.6933;-1.4113,.4151,11.6284;.5262,.5051,10.6593;.6327,1.6027,10.7482;1.5366,.0864,10.8182;.069,.1386,9.2381;-.1464,-.9449,9.1858;.892,.3194,8.5243;-1.1419,.9361,8.7729;-2.1641,1.0572,9.433;-.9298,1.6619,7.9494;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605288694292</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">0.003382140125 0.000541125489 0.029372986047 0.008706254973</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="126">-0.006771095 -0.000723004 0.000117888 0.000421153 0.000508848 0.000892882 0.001479522 0.002045324 0.002240097 0.002476104 0.003098536 0.004008681 0.004662581 0.005626606 0.005954230 0.007091184 0.007642490 0.008263843 0.010395394 0.011104349 0.011902967 0.013281223 0.017253137 0.019387967 0.021388711 0.024591839 0.027350491 0.029127915 0.032063541 0.034184996 0.036814976 0.039783739 0.040437310 0.043003826 0.046153531 0.046587003 0.049013778 0.051892558 0.052226635 0.053671674 0.055359419 0.057893800 0.058615483 0.059545363 0.063097529 0.067321060 0.069428063 0.071542345 0.072847421 0.076644771 0.077620706 0.079458663 0.080280721 0.082457577 0.086899508 0.090623828 0.092715370 0.099459628 0.100758546 0.106457135 0.109268369 0.111825103 0.114010721 0.115378250 0.120103642 0.129907673 0.135472084 0.138334376 0.144810607 0.146670595 0.150711842 0.162778618 0.169069004 0.172415761 0.176828105 0.180815579 0.188254121 0.190001448 0.197548106 0.210488207 0.224022160 0.227242820 0.249519122 0.252754692 0.265523401 0.293440224 0.311005350 0.342704743 0.410408356 0.418410513 0.431538186 0.477944400 0.523637017 0.546336150 0.592799175 0.616035485 0.662171811 0.679753645 0.737866380 0.751618820 0.755534989 0.760860176 0.771231086 0.778987455 0.787584711 0.797527556 0.802793778 0.805947567 0.815016617 0.821496796 0.827532245 0.847446809 0.850700674 0.861703276 0.865208191 0.892469685 0.898722585 0.900909427 0.905521870 0.919314589 0.933795189 0.936593176 0.954694491 0.978542218 1.524560502 1.588434699</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="-3.66685893" y3="-1.58885244" z3="10.78546192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.35548165" y3="-0.65318935" z3="10.2898871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.39866374" y3="-1.51488775" z3="11.85559239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76882084" y3="-1.67562574" z3="10.71672378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98116408" y3="-2.78240595" z3="10.12916045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25123851" y3="-3.72283031" z3="10.65070062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8852681" y3="-2.67750291" z3="10.20205054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.33084196" y3="-2.9486867" z3="8.65043617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.42048705" y3="-3.11574834" z3="8.54517287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.79505462" y3="-3.826082" z3="8.2474454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73501957" y3="-1.67346038" z3="7.43391851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2417802" y3="-0.28126475" z3="5.97260828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54792432" y3="-0.88349602" z3="6.45792748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09390824" y3="0.77813981" z3="6.02466034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.29266795" y3="-0.67626225" z3="4.48400019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.68995556" y3="-0.46285661" z3="4.01035848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.03401358" y3="-0.03381202" z3="3.96849358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64539278" y3="-2.14833519" z3="4.26560802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67965909" y3="-2.31940009" z3="4.61614976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01108339" y3="-2.76630134" z3="4.92629884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50370154" y3="-2.63724937" z3="2.82101126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71432106" y3="-3.72288658" z3="2.78896799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54811419" y3="-2.52058417" z3="2.49293407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42019178" y3="-1.92885454" z3="1.82266583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47663024" y3="-2.00524574" z3="2.13932416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17808359" y3="-0.85431945" z3="1.74157276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33676831" y3="-2.36827806" z3="0.81185728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90554481" y3="-2.54674867" z3="7.73595745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51579213" y3="-0.47770651" z3="6.74043342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39715097" y3="0.11144211" z3="6.46575062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04839846" y3="-1.81412181" z3="7.87864559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41618312" y3="-0.00232795" z3="11.76040888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.03629746" y3="0.24822816" z3="12.77105217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.5161819" y3="-1.101585" z3="11.69706579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42557411" y3="0.42589833" z3="11.63864273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51824054" y3="0.50951304" z3="10.66559297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62337978" y3="1.61099272" z3="10.75693484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53233538" y3="0.09015481" z3="10.82452579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06736587" y3="0.14308851" z3="9.24382616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14916204" y3="-0.94213444" z3="9.18717886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89382421" y3="0.32139678" z3="8.53525236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13936925" y3="0.94050068" z3="8.77200398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16367988" y3="1.06413803" z3="9.42763888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92688319" y3="1.65893679" z3="7.94047427">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6669,-1.5889,10.7855;-3.3555,-.6532,10.2899;-3.3987,-1.5149,11.8556;-4.7688,-1.6756,10.7167;-2.9812,-2.7824,10.1292;-3.2512,-3.7228,10.6507;-1.8853,-2.6775,10.2021;-3.3308,-2.9487,8.6504;-4.4205,-3.1157,8.5452;-2.7951,-3.8261,8.2474;-1.735,-1.6735,7.4339;-.2418,-.2813,5.9726;.5479,-.8835,6.4579;.0939,.7781,6.0247;-.2927,-.6763,4.484;.69,-.4629,4.0104;-1.034,-.0338,3.9685;-.6454,-2.1483,4.2656;-1.6797,-2.3194,4.6161;-.0111,-2.7663,4.9263;-.5037,-2.6372,2.821;-.7143,-3.7229,2.789;.5481,-2.5206,2.4929;-1.4202,-1.9289,1.8227;-2.4766,-2.0052,2.1393;-1.1781,-.8543,1.7416;-1.3368,-2.3683,.8119;-.9055,-2.5467,7.736;-1.5158,-.4777,6.7404;-2.3972,.1114,6.4658;-3.0484,-1.8141,7.8786;-.4162,-.0023,11.7604;-.0363,.2482,12.7711;-.5162,-1.1016,11.6971;-1.4256,.4259,11.6386;.5182,.5095,10.6656;.6234,1.611,10.7569;1.5323,.0902,10.8245;.0674,.1431,9.2438;-.1492,-.9421,9.1872;.8938,.3214,8.5353;-1.1394,.9405,8.772;-2.1637,1.0641,9.4276;-.9269,1.6589,7.9405;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605294455372</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">0.003977429952 0.000681508320 0.026312951209 0.008701772284</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="126">-0.006785016 -0.001138567 0.000117088 0.000423848 0.000511629 0.000895389 0.001485566 0.002043927 0.002248535 0.002476427 0.003099889 0.004022420 0.004663604 0.005678985 0.005977903 0.007088762 0.007767854 0.008269052 0.010395298 0.011224452 0.011935090 0.013343845 0.017265901 0.019391506 0.021404260 0.024592481 0.027358788 0.029129077 0.032063554 0.034185077 0.036817846 0.039831057 0.040437680 0.043030884 0.046185502 0.046587043 0.049022384 0.051893508 0.052237467 0.053671354 0.055381229 0.057908017 0.058692716 0.059561325 0.063483943 0.067322343 0.069439363 0.071565138 0.072852992 0.076695628 0.077621385 0.079497591 0.080284379 0.082463975 0.087008113 0.090867506 0.092770262 0.099463854 0.100762912 0.106466846 0.109269565 0.111832157 0.114011980 0.115378134 0.120113204 0.129908197 0.135483189 0.138339344 0.144857232 0.147552403 0.150732000 0.162794731 0.169078321 0.172416609 0.176853597 0.180835102 0.188524478 0.190069710 0.197594888 0.210520346 0.224041742 0.227250650 0.249523735 0.252756148 0.265654204 0.293454978 0.311012576 0.342707345 0.410875117 0.418531794 0.431537197 0.477960085 0.524189150 0.546435226 0.592835263 0.616047604 0.662218172 0.679809051 0.737882491 0.751624825 0.755539146 0.760868655 0.771231285 0.778987945 0.787652097 0.797527781 0.804193284 0.806094214 0.815017489 0.821506732 0.827541723 0.847447930 0.850700978 0.861839465 0.865263658 0.892472172 0.898725262 0.900914743 0.905528966 0.919315098 0.933796866 0.936684981 0.955111413 0.978541208 1.524567138 1.588436210</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="-3.6719041" y3="-1.58666177" z3="10.77668104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3610561" y3="-0.65247356" z3="10.27837184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.41061852" y3="-1.50575652" z3="11.84801138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77305193" y3="-1.6780636" z3="10.7014332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97692042" y3="-2.78089634" z3="10.13099229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24467428" y3="-3.72004148" z3="10.65696384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88139179" y3="-2.66901269" z3="10.20873347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31822807" y3="-2.95734242" z3="8.65150031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40628788" y3="-3.1328324" z3="8.54166111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77386842" y3="-3.83297074" z3="8.25590406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72483821" y3="-1.67902611" z3="7.43548795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2327267" y3="-0.28940359" z3="5.97152309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.5564483" y3="-0.89195083" z3="6.45982371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10272548" y3="0.77107219" z3="6.02476192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28153203" y3="-0.68316883" z3="4.48188099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70305256" y3="-0.47515404" z3="4.01022503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0175044" y3="-0.03512492" z3="3.96634303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64403214" y3="-2.15215489" z3="4.26127006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67639101" y3="-2.31773684" z3="4.61907302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00885864" y3="-2.77616043" z3="4.91476034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51665038" y3="-2.63679703" z3="2.81431316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73410957" y3="-3.7217476" z3="2.78047962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5338714" y3="-2.5253956" z3="2.47871658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43502087" y3="-1.91763908" z3="1.82641775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48950389" y3="-1.98437181" z3="2.15206007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.18233995" y3="-0.84639915" z3="1.74691778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.36308126" y3="-2.35540038" z3="0.81363508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89178318" y3="-2.54609982" z3="7.74718742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50928281" y3="-0.48754512" z3="6.7344072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39135469" y3="0.09837309" z3="6.45587356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03966382" y3="-1.82470365" z3="7.87546731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42717221" y3="0.00200726" z3="11.76501661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.048464" y3="0.25466925" z3="12.77078724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.53609256" y3="-1.09526645" z3="11.69996136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42753669" y3="0.43531459" z3="11.63254173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51491797" y3="0.5110122" z3="10.67480944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62704678" y3="1.60769466" z3="10.76398118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52258562" y3="0.08597944" z3="10.83980185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06847591" y3="0.14851658" z3="9.24816582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14563122" y3="-0.93466732" z3="9.19226203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89642517" y3="0.33000584" z3="8.54045045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13923277" y3="0.94691872" z3="8.77535332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16510883" y3="1.0714078" z3="9.42823907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92799764" y3="1.65838072" z3="7.94012555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6719,-1.5867,10.7767;-3.3611,-.6525,10.2784;-3.4106,-1.5058,11.848;-4.7731,-1.6781,10.7014;-2.9769,-2.7809,10.131;-3.2447,-3.72,10.657;-1.8814,-2.669,10.2087;-3.3182,-2.9573,8.6515;-4.4063,-3.1328,8.5417;-2.7739,-3.833,8.2559;-1.7248,-1.679,7.4355;-.2327,-.2894,5.9715;.5564,-.892,6.4598;.1027,.7711,6.0248;-.2815,-.6832,4.4819;.7031,-.4752,4.0102;-1.0175,-.0351,3.9663;-.644,-2.1522,4.2613;-1.6764,-2.3177,4.6191;-.0089,-2.7762,4.9148;-.5167,-2.6368,2.8143;-.7341,-3.7217,2.7805;.5339,-2.5254,2.4787;-1.435,-1.9176,1.8264;-2.4895,-1.9844,2.1521;-1.1823,-.8464,1.7469;-1.3631,-2.3554,.8136;-.8918,-2.5461,7.7472;-1.5093,-.4875,6.7344;-2.3914,.0984,6.4559;-3.0397,-1.8247,7.8755;-.4272,.002,11.765;-.0485,.2547,12.7708;-.5361,-1.0953,11.7;-1.4275,.4353,11.6325;.5149,.511,10.6748;.627,1.6077,10.764;1.5226,.086,10.8398;.0685,.1485,9.2482;-.1456,-.9347,9.1923;.8964,.33,8.5405;-1.1392,.9469,8.7754;-2.1651,1.0714,9.4282;-.928,1.6584,7.9401;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605296863739</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">0.004016979647 0.000755050861 0.026159874428 0.008700029151</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="126">-0.006830310 -0.001345889 0.000118346 0.000430079 0.000530127 0.000898530 0.001497230 0.002049840 0.002252452 0.002484644 0.003106028 0.004027102 0.004669223 0.005693344 0.005979507 0.007106267 0.007902056 0.008272900 0.010395900 0.011326496 0.011967901 0.013364436 0.017280574 0.019393177 0.021414273 0.024594642 0.027361130 0.029137456 0.032063104 0.034185440 0.036822396 0.039881153 0.040438530 0.043052261 0.046216393 0.046587240 0.049028326 0.051893948 0.052238188 0.053684396 0.055382576 0.057909271 0.058755981 0.059574389 0.063909806 0.067322862 0.069453874 0.071567900 0.072855360 0.076744186 0.077623027 0.079565461 0.080309549 0.082461761 0.087145376 0.091173073 0.092906072 0.099463429 0.100762287 0.106471643 0.109269525 0.111841931 0.114012310 0.115377960 0.120143528 0.129908480 0.135491146 0.138344908 0.144861127 0.148552064 0.150739471 0.162806491 0.169087846 0.172417438 0.176860677 0.180847996 0.188888879 0.190224235 0.197633779 0.210564819 0.224053862 0.227277774 0.249525076 0.252759321 0.265701387 0.293455536 0.311024641 0.342715910 0.411454201 0.418778104 0.431535607 0.477968211 0.525452256 0.546501970 0.592860983 0.616054485 0.662238629 0.679808243 0.737892117 0.751625301 0.755541140 0.760910899 0.771231468 0.778990167 0.787709774 0.797527939 0.805333180 0.806906273 0.815024211 0.821521768 0.827540027 0.847448046 0.850711289 0.862200347 0.865301454 0.892474491 0.898802858 0.900922684 0.905543686 0.919317192 0.933797632 0.936722450 0.955458592 0.978559868 1.524566066 1.588515041</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="-3.67753836" y3="-1.58356613" z3="10.77052272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36691921" y3="-0.65066515" z3="10.26985241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42447893" y3="-1.49595966" z3="11.84323033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77772974" y3="-1.67982808" z3="10.6878161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97360544" y3="-2.77836744" z3="10.13577651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23970683" y3="-3.71519157" z3="10.66620596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87934756" y3="-2.66144803" z3="10.21830259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30646691" y3="-2.96531791" z3="8.65571508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39290407" y3="-3.14744885" z3="8.5416423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75542373" y3="-3.84002821" z3="8.26782321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71372752" y3="-1.68746939" z3="7.43812505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22238053" y3="-0.29986488" z3="5.97170548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56406978" y3="-0.90635054" z3="6.45789624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11619873" y3="0.75901098" z3="6.02859747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27168732" y3="-0.68787463" z3="4.48081763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71432689" y3="-0.48386215" z3="4.010483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00408324" y3="-0.03465454" z3="3.96638605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64191745" y3="-2.15394184" z3="4.25536378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67241574" y3="-2.31655644" z3="4.62014862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00398207" y3="-2.7837341" z3="4.90118475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52696891" y3="-2.63268375" z3="2.80538433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.75022603" y3="-3.71587301" z3="2.76857453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52111143" y3="-2.52541459" z3="2.46244879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44999465" y3="-1.90639421" z3="1.82581049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50177325" y3="-1.96832655" z3="2.15973654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19387008" y3="-0.83511833" z3="1.7449709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38924113" y3="-2.34314437" z3="0.81164243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8798714" y3="-2.55147242" z3="7.75486922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49953305" y3="-0.49870966" z3="6.73317987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38272664" y3="0.08447518" z3="6.45131985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0298545" y3="-1.83555252" z3="7.87516704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43833895" y3="0.01031614" z3="11.76576445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06434734" y3="0.25724279" z3="12.78015745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.54707064" y3="-1.08831905" z3="11.70034095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44399692" y3="0.44546843" z3="11.63717146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50947018" y3="0.51554162" z3="10.67968285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62172795" y3="1.61628003" z3="10.77220388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51773914" y3="0.08992417" z3="10.84934878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06920626" y3="0.15077186" z3="9.2547677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14685244" y3="-0.93464599" z3="9.19426842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90084229" y3="0.33000491" z3="8.55162092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13326536" y3="0.94783769" z3="8.77377435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16021411" y3="1.0781305" z3="9.42195876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92059434" y3="1.65216704" z3="7.93061361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6775,-1.5836,10.7705;-3.3669,-.6507,10.2699;-3.4245,-1.496,11.8432;-4.7777,-1.6798,10.6878;-2.9736,-2.7784,10.1358;-3.2397,-3.7152,10.6662;-1.8793,-2.6614,10.2183;-3.3065,-2.9653,8.6557;-4.3929,-3.1474,8.5416;-2.7554,-3.84,8.2678;-1.7137,-1.6875,7.4381;-.2224,-.2999,5.9717;.5641,-.9064,6.4579;.1162,.759,6.0286;-.2717,-.6879,4.4808;.7143,-.4839,4.0105;-1.0041,-.0347,3.9664;-.6419,-2.1539,4.2554;-1.6724,-2.3166,4.6201;-.004,-2.7837,4.9012;-.527,-2.6327,2.8054;-.7502,-3.7159,2.7686;.5211,-2.5254,2.4624;-1.45,-1.9064,1.8258;-2.5018,-1.9683,2.1597;-1.1939,-.8351,1.745;-1.3892,-2.3431,.8116;-.8799,-2.5515,7.7549;-1.4995,-.4987,6.7332;-2.3827,.0845,6.4513;-3.0299,-1.8356,7.8752;-.4383,.0103,11.7658;-.0643,.2572,12.7802;-.5471,-1.0883,11.7003;-1.444,.4455,11.6372;.5095,.5155,10.6797;.6217,1.6163,10.7722;1.5177,.0899,10.8493;.0692,.1508,9.2548;-.1469,-.9346,9.1943;.9008,.33,8.5516;-1.1333,.9478,8.7738;-2.1602,1.0781,9.422;-.9206,1.6522,7.9306;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605298859713</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">0.004236991128 0.000756110363 0.027192172335 0.008700463972</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="126">-0.006213467 -0.001691214 0.000043761 0.000193370 0.000490139 0.000872295 0.001488550 0.002011789 0.002246510 0.002488345 0.003080693 0.004030612 0.004664721 0.005621105 0.006000674 0.007119750 0.007557500 0.008257538 0.010407951 0.011310819 0.011936627 0.013356344 0.017276732 0.019413294 0.021405649 0.024614396 0.027361682 0.029151535 0.032059752 0.034184422 0.036821692 0.039918436 0.040440055 0.043063447 0.046239612 0.046586506 0.049031106 0.051894770 0.052241944 0.053753606 0.055393424 0.057909882 0.058780723 0.059572509 0.064356271 0.067323167 0.069451063 0.071571728 0.072834789 0.076700622 0.077623521 0.079619550 0.080366463 0.082435445 0.087273779 0.091492336 0.093140930 0.099464392 0.100762576 0.106473210 0.109270593 0.111843519 0.114018745 0.115378835 0.120236227 0.129912856 0.135494445 0.138352724 0.144858219 0.149453918 0.150785206 0.162815242 0.169090725 0.172419899 0.176859581 0.180847327 0.189173251 0.190427038 0.197623119 0.210568096 0.224047648 0.227293393 0.249541461 0.252738440 0.265761425 0.293453715 0.311047456 0.342722250 0.411972050 0.419174657 0.431543223 0.477972365 0.527560576 0.546552055 0.592873379 0.616052475 0.662246269 0.679829731 0.737894615 0.751617983 0.755534992 0.761037202 0.771221620 0.778988563 0.787717585 0.797528078 0.805567817 0.808545393 0.815023845 0.821533051 0.827539283 0.847447940 0.850744532 0.862845586 0.865332188 0.892479895 0.898835204 0.900926447 0.905555546 0.919324610 0.933796748 0.936771612 0.955793958 0.978591081 1.524562706 1.588626711</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="-3.67359202" y3="-1.58537133" z3="10.76709613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36319596" y3="-0.65329504" z3="10.26436055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42385082" y3="-1.49407601" z3="11.8402812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77346148" y3="-1.68288383" z3="10.68128297">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96682646" y3="-2.78173526" z3="10.13855383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23382714" y3="-3.7168186" z3="10.67164496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87279936" y3="-2.66351421" z3="10.22370035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.29571678" y3="-2.97427854" z3="8.65823437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.38128318" y3="-3.1600556" z3="8.5425493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.74145044" y3="-3.84891389" z3="8.27479499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70421159" y3="-1.6937753" z3="7.44091823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21480766" y3="-0.30978868" z3="5.97058739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56922631" y3="-0.91916336" z3="6.45761456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12672392" y3="0.74822482" z3="6.03004727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26307272" y3="-0.69447992" z3="4.47862091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.726145" y3="-0.49824528" z3="4.01126105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.98808714" y3="-0.03334761" z3="3.9640133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64750146" y3="-2.15664491" z3="4.25005605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67923868" y3="-2.30885795" z3="4.61594563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01546759" y3="-2.79416247" z3="4.89443425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53995417" y3="-2.63364859" z3="2.79848626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.77666213" y3="-3.71416609" z3="2.75962847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50921082" y3="-2.5382329" z3="2.45413273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45510271" y3="-1.89256184" z3="1.8231136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50723688" y3="-1.94118" z3="2.15982214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.18382526" y3="-0.82549378" z3="1.74476852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40312981" y3="-2.32633506" z3="0.80796109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86585867" y3="-2.55116775" z3="7.76857228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49465098" y3="-0.50953198" z3="6.72723688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37852726" y3="0.0703804" z3="6.44177283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02149775" y3="-1.84659243" z3="7.87402204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.45172109" y3="0.01989479" z3="11.77291354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0748915" y3="0.26662113" z3="12.78072002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.57426281" y3="-1.07529899" z3="11.70704126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44635094" y3="0.46705354" z3="11.63731104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50343611" y3="0.51871108" z3="10.68804493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62490861" y3="1.61506198" z3="10.77563457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50747499" y3="0.08450458" z3="10.85994795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06685906" y3="0.15695268" z3="9.25788186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14994144" y3="-0.92581973" z3="9.19957586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90031258" y3="0.33500251" z3="8.55658038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13465812" y3="0.95637509" z3="8.77490498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16354213" y3="1.08819759" z3="9.41981445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92245504" y3="1.65184406" z3="7.92648789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6736,-1.5854,10.7671;-3.3632,-.6533,10.2644;-3.4239,-1.4941,11.8403;-4.7735,-1.6829,10.6813;-2.9668,-2.7817,10.1386;-3.2338,-3.7168,10.6716;-1.8728,-2.6635,10.2237;-3.2957,-2.9743,8.6582;-4.3813,-3.1601,8.5425;-2.7415,-3.8489,8.2748;-1.7042,-1.6938,7.4409;-.2148,-.3098,5.9706;.5692,-.9192,6.4576;.1267,.7482,6.03;-.2631,-.6945,4.4786;.7261,-.4982,4.0113;-.9881,-.0333,3.964;-.6475,-2.1566,4.2501;-1.6792,-2.3089,4.6159;-.0155,-2.7942,4.8944;-.54,-2.6336,2.7985;-.7767,-3.7142,2.7596;.5092,-2.5382,2.4541;-1.4551,-1.8926,1.8231;-2.5072,-1.9412,2.1598;-1.1838,-.8255,1.7448;-1.4031,-2.3263,.808;-.8659,-2.5512,7.7686;-1.4947,-.5095,6.7272;-2.3785,.0704,6.4418;-3.0215,-1.8466,7.874;-.4517,.0199,11.7729;-.0749,.2666,12.7807;-.5743,-1.0753,11.707;-1.4464,.4671,11.6373;.5034,.5187,10.688;.6249,1.6151,10.7756;1.5075,.0845,10.8599;.0669,.157,9.2579;-.1499,-.9258,9.1996;.9003,.335,8.5566;-1.1347,.9564,8.7749;-2.1635,1.0882,9.4198;-.9225,1.6518,7.9265;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605290025118</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">0.004385784900 0.000747475635 0.020382984296 0.008709248175</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="126">-0.006274005 -0.000815677 0.000082884 0.000203760 0.000493693 0.000874349 0.001488592 0.002011393 0.002250248 0.002490456 0.003081483 0.004029968 0.004666876 0.005619902 0.006028448 0.007119005 0.007577061 0.008267954 0.010412088 0.011335328 0.011943176 0.013360215 0.017287836 0.019426745 0.021413124 0.024632585 0.027362254 0.029159612 0.032059502 0.034184831 0.036821625 0.039934344 0.040440407 0.043063025 0.046249529 0.046586500 0.049032245 0.051895689 0.052250365 0.053805340 0.055413946 0.057911790 0.058779831 0.059569461 0.064509975 0.067323313 0.069454808 0.071595378 0.072842023 0.076701987 0.077624125 0.079634562 0.080406220 0.082436366 0.087384048 0.091642752 0.093397687 0.099466342 0.100763577 0.106473226 0.109277472 0.111844384 0.114023505 0.115379628 0.120369047 0.129930610 0.135494399 0.138354585 0.144861309 0.150093674 0.150856439 0.162818100 0.169091112 0.172432532 0.176859833 0.180847467 0.189289490 0.190573991 0.197626203 0.210580136 0.224061463 0.227377102 0.249546074 0.252734191 0.265775885 0.293460541 0.311060006 0.342726192 0.412284955 0.419451042 0.431548552 0.477979017 0.529610666 0.546561911 0.592873160 0.616053182 0.662249910 0.679944351 0.737897794 0.751618180 0.755541207 0.761079916 0.771221904 0.778988495 0.787719238 0.797529612 0.805619524 0.810085548 0.815040785 0.821538720 0.827540352 0.847448343 0.850792912 0.863449981 0.865340151 0.892489158 0.898855656 0.900927305 0.905577742 0.919326365 0.933797438 0.936939939 0.956050594 0.978763480 1.524691546 1.588722904</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="-3.6752168" y3="-1.58203807" z3="10.76610085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36559578" y3="-0.65175511" z3="10.26018294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42958674" y3="-1.48435944" z3="11.83957795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77432637" y3="-1.68307645" z3="10.67691025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96270541" y3="-2.77942748" z3="10.14613401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.22717288" y3="-3.71248971" z3="10.68433356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.86924547" y3="-2.65639429" z3="10.23302991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.28694138" y3="-2.98196944" z3="8.66614971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.37140651" y3="-3.1752109" z3="8.54858966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.72582976" y3="-3.85536521" z3="8.28916219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.69863877" y3="-1.70346416" z3="7.44332923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20888867" y3="-0.32364908" z3="5.97005901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57284168" y3="-0.93674115" z3="6.45668148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.135067" y3="0.73383145" z3="6.03367136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25559752" y3="-0.70204129" z3="4.47594338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73453972" y3="-0.50720865" z3="4.0106538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.97757703" y3="-0.03617513" z3="3.96297807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64489571" y3="-2.16111029" z3="4.23928114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67500359" y3="-2.31300596" z3="4.60933487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01132598" y3="-2.80526973" z3="4.87479612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.54634339" y3="-2.62779487" z3="2.78437051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.78696027" y3="-3.70697001" z3="2.73924548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50099716" y3="-2.53394131" z3="2.43516805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46376215" y3="-1.87764609" z3="1.81825771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51352896" y3="-1.92293043" z3="2.16091035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.18834531" y3="-0.81133901" z3="1.74313432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.41892679" y3="-2.30820059" z3="0.8006047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8605827" y3="-2.55838527" z3="7.77440285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49005218" y3="-0.52404747" z3="6.72397382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37410855" y3="0.05465637" z3="6.43610868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01629692" y3="-1.85674428" z3="7.87728594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46252888" y3="0.03502621" z3="11.77517873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08829227" y3="0.27766887" z3="12.78979442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.59129823" y3="-1.06180331" z3="11.71065638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45820582" y3="0.48697141" z3="11.63949707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49956256" y3="0.52076727" z3="10.69300717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62788168" y3="1.61954943" z3="10.78096618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49912323" y3="0.0808234" z3="10.871777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06491762" y3="0.15677902" z3="9.26568662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15486317" y3="-0.92798054" z3="9.20593067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90106994" y3="0.33077962" z3="8.56549599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13139096" y3="0.95844183" z3="8.77660892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16084686" y3="1.09808401" z3="9.4178353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91807458" y3="1.64454317" z3="7.91957649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6752,-1.582,10.7661;-3.3656,-.6518,10.2602;-3.4296,-1.4844,11.8396;-4.7743,-1.6831,10.6769;-2.9627,-2.7794,10.1461;-3.2272,-3.7125,10.6843;-1.8692,-2.6564,10.233;-3.2869,-2.982,8.6661;-4.3714,-3.1752,8.5486;-2.7258,-3.8554,8.2892;-1.6986,-1.7035,7.4433;-.2089,-.3236,5.9701;.5728,-.9367,6.4567;.1351,.7338,6.0337;-.2556,-.702,4.4759;.7345,-.5072,4.0107;-.9776,-.0362,3.963;-.6449,-2.1611,4.2393;-1.675,-2.313,4.6093;-.0113,-2.8053,4.8748;-.5463,-2.6278,2.7844;-.787,-3.707,2.7392;.501,-2.5339,2.4352;-1.4638,-1.8776,1.8183;-2.5135,-1.9229,2.1609;-1.1883,-.8113,1.7431;-1.4189,-2.3082,.8006;-.8606,-2.5584,7.7744;-1.4901,-.524,6.724;-2.3741,.0547,6.4361;-3.0163,-1.8567,7.8773;-.4625,.035,11.7752;-.0883,.2777,12.7898;-.5913,-1.0618,11.7107;-1.4582,.487,11.6395;.4996,.5208,10.693;.6279,1.6195,10.781;1.4991,.0808,10.8718;.0649,.1568,9.2657;-.1549,-.928,9.2059;.9011,.3308,8.5655;-1.1314,.9584,8.7766;-2.1608,1.0981,9.4178;-.9181,1.6445,7.9196;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605289774431</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">0.003047114145 0.000584207632 0.023830684594 0.008704238360</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="126">-0.006333630 -0.000761262 0.000141503 0.000215228 0.000495076 0.000878567 0.001491365 0.002010131 0.002255770 0.002489510 0.003081291 0.004029784 0.004667087 0.005630687 0.006073811 0.007128713 0.007569445 0.008295307 0.010439859 0.011350362 0.011947581 0.013371392 0.017298215 0.019434745 0.021442436 0.024642759 0.027361956 0.029160157 0.032058877 0.034184944 0.036821790 0.039943201 0.040440373 0.043075011 0.046249766 0.046586473 0.049033333 0.051896754 0.052259618 0.053839680 0.055429939 0.057916829 0.058781185 0.059569321 0.064585391 0.067324298 0.069457695 0.071618163 0.072854312 0.076704689 0.077624597 0.079636837 0.080422964 0.082436467 0.087420595 0.091701874 0.093528406 0.099468356 0.100764112 0.106473128 0.109282000 0.111844801 0.114025167 0.115379829 0.120486831 0.129947369 0.135495209 0.138357123 0.144863181 0.150330059 0.150954146 0.162818358 0.169092357 0.172449211 0.176860666 0.180855652 0.189346009 0.190686079 0.197626694 0.210579191 0.224068760 0.227412329 0.249618266 0.252729068 0.265824787 0.293464126 0.311065140 0.342724816 0.412428209 0.419571193 0.431561108 0.478003443 0.530703563 0.546561684 0.592880702 0.616053328 0.662250090 0.680001084 0.737898825 0.751618467 0.755556238 0.761085559 0.771223109 0.778990993 0.787719596 0.797532804 0.805635811 0.810882581 0.815086945 0.821543279 0.827541512 0.847449519 0.850819450 0.863938443 0.865341566 0.892496781 0.898858051 0.900930069 0.905580181 0.919326983 0.933798114 0.937343594 0.956276906 0.978894446 1.524776345 1.588732062</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="-3.6806225" y3="-1.57248572" z3="10.76880678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37429292" y3="-0.64375423" z3="10.25811248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43700791" y3="-1.46762861" z3="11.84214917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77923018" y3="-1.6781664" z3="10.67866289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.96345444" y3="-2.77087253" z3="10.15640162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2261322" y3="-3.70105958" z3="10.69981323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87087672" y3="-2.64444669" z3="10.24370063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.28549832" y3="-2.98284451" z3="8.67722731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.36917167" y3="-3.1770412" z3="8.5603674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.72468912" y3="-3.85840607" z3="8.30685243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.6964735" y3="-1.71059162" z3="7.44689756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.20890108" y3="-0.3339508" z3="5.96637194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57096687" y3="-0.95034114" z3="6.45152339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.13689931" y3="0.72253701" z3="6.03583077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25333297" y3="-0.70365107" z3="4.47039322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73549406" y3="-0.50025637" z3="4.00583633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.97941041" y3="-0.03927829" z3="3.96204316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63341521" y3="-2.16374415" z3="4.22596553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65997208" y3="-2.32594125" z3="4.60151636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00973371" y3="-2.80689455" z3="4.85397614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.53914821" y3="-2.6201958" z3="2.76682645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.76727215" y3="-3.70165336" z3="2.71618694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.50461508" y3="-2.51165758" z3="2.41133737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47162356" y3="-1.87446059" z3="1.81178395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51848509" y3="-1.93543146" z3="2.16031685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21045542" y3="-0.80472975" z3="1.74326143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42820239" y3="-2.29507177" z3="0.7907709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.855374" y3="-2.56037572" z3="7.78970158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49218095" y3="-0.53787993" z3="6.71521152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37630887" y3="0.04115667" z3="6.42860752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.01515309" y3="-1.86343268" z3="7.88079324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.46639266" y3="0.03042021" z3="11.78248407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09475568" y3="0.28195888" z3="12.79204901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.59305359" y3="-1.06508573" z3="11.72427454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.46004814" y3="0.48107062" z3="11.64024024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.49753515" y3="0.51739472" z3="10.69994335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62787149" y3="1.61368803" z3="10.78598043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.49707551" y3="0.07555295" z3="10.87736456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06333445" y3="0.15550007" z3="9.26951503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.16413329" y3="-0.92578529" z3="9.21016686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90074586" y3="0.32376621" z3="8.57065384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12749145" y3="0.96396931" z3="8.77984915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15607774" y3="1.111891" z3="9.41886515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91399575" y3="1.63759611" z3="7.91374051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6806,-1.5725,10.7688;-3.3743,-.6438,10.2581;-3.437,-1.4676,11.8421;-4.7792,-1.6782,10.6787;-2.9635,-2.7709,10.1564;-3.2261,-3.7011,10.6998;-1.8709,-2.6444,10.2437;-3.2855,-2.9828,8.6772;-4.3692,-3.177,8.5604;-2.7247,-3.8584,8.3069;-1.6965,-1.7106,7.4469;-.2089,-.334,5.9664;.571,-.9503,6.4515;.1369,.7225,6.0358;-.2533,-.7037,4.4704;.7355,-.5003,4.0058;-.9794,-.0393,3.962;-.6334,-2.1637,4.226;-1.66,-2.3259,4.6015;.0097,-2.8069,4.854;-.5391,-2.6202,2.7668;-.7673,-3.7017,2.7162;.5046,-2.5117,2.4113;-1.4716,-1.8745,1.8118;-2.5185,-1.9354,2.1603;-1.2105,-.8047,1.7433;-1.4282,-2.2951,.7908;-.8554,-2.5604,7.7897;-1.4922,-.5379,6.7152;-2.3763,.0412,6.4286;-3.0152,-1.8634,7.8808;-.4664,.0304,11.7825;-.0948,.282,12.792;-.5931,-1.0651,11.7243;-1.46,.4811,11.6402;.4975,.5174,10.6999;.6279,1.6137,10.786;1.4971,.0756,10.8774;.0633,.1555,9.2695;-.1641,-.9258,9.2102;.9007,.3238,8.5707;-1.1275,.964,8.7798;-2.1561,1.1119,9.4189;-.914,1.6376,7.9137;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605296114467</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">0.002685440765 0.000531432073 0.032863370910 0.008706648699</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="126">-0.006399789 -0.000527221 0.000114421 0.000206021 0.000480402 0.000881707 0.001495960 0.002012006 0.002260125 0.002491743 0.003088340 0.004030540 0.004667096 0.005636652 0.006098198 0.007143967 0.007565250 0.008314348 0.010489178 0.011356735 0.011948645 0.013390835 0.017303316 0.019439101 0.021477989 0.024648791 0.027362041 0.029160446 0.032058999 0.034184607 0.036822230 0.039949819 0.040440463 0.043105151 0.046250499 0.046586493 0.049032868 0.051897283 0.052263899 0.053858693 0.055437683 0.057932439 0.058781988 0.059572028 0.064596256 0.067324790 0.069457483 0.071639621 0.072859629 0.076713894 0.077624635 0.079637689 0.080433767 0.082436428 0.087504408 0.091735188 0.093642457 0.099471822 0.100766225 0.106473035 0.109285098 0.111845131 0.114025522 0.115380045 0.120601511 0.129960840 0.135496888 0.138359192 0.144883566 0.150460563 0.151046845 0.162818711 0.169102403 0.172454465 0.176864421 0.180860560 0.189361104 0.190682881 0.197630855 0.210606778 0.224059424 0.227446407 0.249627457 0.252728058 0.265832997 0.293476960 0.311076687 0.342731554 0.412481654 0.419610167 0.431575369 0.478076112 0.531246842 0.546562880 0.592880587 0.616059080 0.662271333 0.680086923 0.737899356 0.751633097 0.755575380 0.761098520 0.771225233 0.778991862 0.787728429 0.797537749 0.805640171 0.811500723 0.815172909 0.821555586 0.827560247 0.847455883 0.850825238 0.864041594 0.865340779 0.892505538 0.898859868 0.900932790 0.905606598 0.919351934 0.933799765 0.937542165 0.956358066 0.979147252 1.525021719 1.588735890</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="-3.69219114" y3="-1.56215771" z3="10.77049757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38918538" y3="-0.63424904" z3="10.25644055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.4476048" y3="-1.4527403" z3="11.84307284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79043367" y3="-1.67220319" z3="10.68184181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97032892" y3="-2.7596913" z3="10.16185902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.22894196" y3="-3.68957778" z3="10.70826783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87790719" y3="-2.62803686" z3="10.24963528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.29010818" y3="-2.97814644" z3="8.68296146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.37387685" y3="-3.17655897" z3="8.56455733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.72456518" y3="-3.85364411" z3="8.3168671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70253004" y3="-1.7115852" z3="7.4452734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21247973" y3="-0.33475633" z3="5.96664883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56816189" y3="-0.95117907" z3="6.45063157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.13200427" y3="0.72204249" z3="6.0383478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25541533" y3="-0.7012035" z3="4.46965193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.73011977" y3="-0.48496101" z3="4.00358189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.99046456" y3="-0.04362982" z3="3.96468495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61861295" y3="-2.16488007" z3="4.22095693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64141175" y3="-2.3416091" z3="4.60076335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03507911" y3="-2.80315133" z3="4.84213812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52549798" y3="-2.61319841" z3="2.75963681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73440878" y3="-3.69883961" z3="2.70587846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51434505" y3="-2.48414596" z3="2.39801893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4773185" y3="-1.88035902" z3="1.81351811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52160877" y3="-1.96335753" z3="2.1674219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23656066" y3="-0.80495759" z3="1.74852093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.43045129" y3="-2.29656439" z3="0.79009459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86472947" y3="-2.56428939" z3="7.78239869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49560038" y3="-0.53988394" z3="6.7154124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.378615" y3="0.04139456" z3="6.42998851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02040648" y3="-1.86023961" z3="7.88387485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4581165" y3="0.02227099" z3="11.78020019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.09054363" y3="0.27783219" z3="12.79335458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.57349365" y3="-1.07643085" z3="11.72367639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45682132" y3="0.46233561" z3="11.63582085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50082438" y3="0.51129058" z3="10.69773163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62568184" y3="1.60923324" z3="10.78675522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.50163521" y3="0.07424993" z3="10.87490579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0651335" y3="0.14937569" z3="9.26938347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.16116845" y3="-0.93393304" z3="9.20844522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90192881" y3="0.31814122" z3="8.56885604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12601604" y3="0.95926938" z3="8.78104664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15305017" y3="1.10913157" z3="9.42325659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91281089" y3="1.63298032" z3="7.91549649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6922,-1.5622,10.7705;-3.3892,-.6342,10.2564;-3.4476,-1.4527,11.8431;-4.7904,-1.6722,10.6818;-2.9703,-2.7597,10.1619;-3.2289,-3.6896,10.7083;-1.8779,-2.628,10.2496;-3.2901,-2.9781,8.683;-4.3739,-3.1766,8.5646;-2.7246,-3.8536,8.3169;-1.7025,-1.7116,7.4453;-.2125,-.3348,5.9666;.5682,-.9512,6.4506;.132,.722,6.0383;-.2554,-.7012,4.4697;.7301,-.485,4.0036;-.9905,-.0436,3.9647;-.6186,-2.1649,4.221;-1.6414,-2.3416,4.6008;.0351,-2.8032,4.8421;-.5255,-2.6132,2.7596;-.7344,-3.6988,2.7059;.5143,-2.4841,2.398;-1.4773,-1.8804,1.8135;-2.5216,-1.9634,2.1674;-1.2366,-.805,1.7485;-1.4305,-2.2966,.7901;-.8647,-2.5643,7.7824;-1.4956,-.5399,6.7154;-2.3786,.0414,6.43;-3.0204,-1.8602,7.8839;-.4581,.0223,11.7802;-.0905,.2778,12.7934;-.5735,-1.0764,11.7237;-1.4568,.4623,11.6358;.5008,.5113,10.6977;.6257,1.6092,10.7868;1.5016,.0742,10.8749;.0651,.1494,9.2694;-.1612,-.9339,9.2084;.9019,.3181,8.5689;-1.126,.9593,8.781;-2.1531,1.1091,9.4233;-.9128,1.633,7.9155;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605305207913</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">0.002305408139 0.000525700142 0.031732731313 0.008707747556</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="126">-0.006392647 -0.000358475 0.000072672 0.000212128 0.000477858 0.000892506 0.001503123 0.002010167 0.002283867 0.002500066 0.003091458 0.004031133 0.004667034 0.005658478 0.006117102 0.007171738 0.007564980 0.008338074 0.010595323 0.011375131 0.011949840 0.013434197 0.017303023 0.019441656 0.021519386 0.024653235 0.027361381 0.029162902 0.032059463 0.034184956 0.036822144 0.039951127 0.040441024 0.043167247 0.046250364 0.046586519 0.049031616 0.051897198 0.052270770 0.053867795 0.055436979 0.057936573 0.058782999 0.059578314 0.064595004 0.067326897 0.069455445 0.071685282 0.072859894 0.076737035 0.077628671 0.079635923 0.080442172 0.082436227 0.087588475 0.091756838 0.093711988 0.099478527 0.100772297 0.106472975 0.109288732 0.111845313 0.114026387 0.115380610 0.120706912 0.129971962 0.135501311 0.138364516 0.144907555 0.150497620 0.151113837 0.162824380 0.169116090 0.172454047 0.176869684 0.180866493 0.189369380 0.190690882 0.197648787 0.210671509 0.224041415 0.227468627 0.249669184 0.252731363 0.265838138 0.293484265 0.311084866 0.342734811 0.412507555 0.419610607 0.431583293 0.478163232 0.531524355 0.546566876 0.592898488 0.616064447 0.662280209 0.680250119 0.737898515 0.751642571 0.755586320 0.761105568 0.771225839 0.778993506 0.787735993 0.797542630 0.805652457 0.811809814 0.815262388 0.821573116 0.827571774 0.847462426 0.850825013 0.864078112 0.865334518 0.892514377 0.898884412 0.900933034 0.905606516 0.919392817 0.933800412 0.937943645 0.956514455 0.979486321 1.525386515 1.588779975</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="-3.698399" y3="-1.55682809" z3="10.77163023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39466335" y3="-0.62946316" z3="10.25740577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.45262657" y3="-1.44809339" z3="11.84402433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79680639" y3="-1.66567674" z3="10.68451971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97908332" y3="-2.75473393" z3="10.16150728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23943527" y3="-3.68400176" z3="10.70720098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88703726" y3="-2.62566064" z3="10.24817162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30073184" y3="-2.97096072" z3="8.68317107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.38483473" y3="-3.16129037" z3="8.5665439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.74321942" y3="-3.8494335" z3="8.31590596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70682126" y3="-1.7088978" z3="7.44849328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21661745" y3="-0.3298355" z3="5.96869581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56506823" y3="-0.94526571" z3="6.45212257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12642571" y3="0.7273622" z3="6.04052979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.25979902" y3="-0.69550373" z3="4.47213592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.72258076" y3="-0.46937755" z3="4.0042194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00225826" y3="-0.04454349" z3="3.96967113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60785641" y3="-2.16300634" z3="4.22302048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62762223" y3="-2.35254982" z3="4.60499507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05608038" y3="-2.79387467" z3="4.8418734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51226154" y3="-2.60900396" z3="2.76099745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70342494" y3="-3.69784617" z3="2.70614578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52427661" y3="-2.46237859" z3="2.39701844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47933707" y3="-1.89143817" z3="1.81830265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52120632" y3="-1.99509026" z3="2.17304596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2594316" y3="-0.81111095" z3="1.75674029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42677781" y3="-2.30272532" z3="0.79377703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.86830041" y3="-2.56154759" z3="7.79065527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49915853" y3="-0.53526376" z3="6.71805203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38231317" y3="0.04651108" z3="6.43360613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02568368" y3="-1.85552228" z3="7.88283636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44749754" y3="0.00598355" z3="11.77589642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.08228968" y3="0.2695835" z3="12.78556083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.54945573" y3="-1.09268015" z3="11.72212305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.45122912" y3="0.43520504" z3="11.63131069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50552915" y3="0.50963981" z3="10.69141933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61942153" y3="1.60764887" z3="10.78066136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51190372" y3="0.08209684" z3="10.86447561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06906986" y3="0.14579779" z3="9.26321437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15590395" y3="-0.93604318" z3="9.20412518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90429395" y3="0.31618884" z3="8.56234865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12540037" y3="0.9521829" z3="8.77740487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15077777" y3="1.09929466" z3="9.42242132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91475068" y3="1.63153954" z3="7.91439607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6984,-1.5568,10.7716;-3.3947,-.6295,10.2574;-3.4526,-1.4481,11.844;-4.7968,-1.6657,10.6845;-2.9791,-2.7547,10.1615;-3.2394,-3.684,10.7072;-1.887,-2.6257,10.2482;-3.3007,-2.971,8.6832;-4.3848,-3.1613,8.5665;-2.7432,-3.8494,8.3159;-1.7068,-1.7089,7.4485;-.2166,-.3298,5.9687;.5651,-.9453,6.4521;.1264,.7274,6.0405;-.2598,-.6955,4.4721;.7226,-.4694,4.0042;-1.0023,-.0445,3.9697;-.6079,-2.163,4.223;-1.6276,-2.3525,4.605;.0561,-2.7939,4.8419;-.5123,-2.609,2.761;-.7034,-3.6978,2.7061;.5243,-2.4624,2.397;-1.4793,-1.8914,1.8183;-2.5212,-1.9951,2.173;-1.2594,-.8111,1.7567;-1.4268,-2.3027,.7938;-.8683,-2.5615,7.7907;-1.4992,-.5353,6.7181;-2.3823,.0465,6.4336;-3.0257,-1.8555,7.8828;-.4475,.006,11.7759;-.0823,.2696,12.7856;-.5495,-1.0927,11.7221;-1.4512,.4352,11.6313;.5055,.5096,10.6914;.6194,1.6076,10.7807;1.5119,.0821,10.8645;.0691,.1458,9.2632;-.1559,-.936,9.2041;.9043,.3162,8.5623;-1.1254,.9522,8.7774;-2.1508,1.0993,9.4224;-.9148,1.6315,7.9144;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605308849321</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">0.002619613269 0.000523419545 0.025335695296 0.008695057492</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="126">-0.006400854 -0.000373144 0.000074522 0.000269477 0.000480051 0.000887753 0.001513714 0.002008125 0.002294261 0.002510337 0.003111280 0.004032019 0.004670225 0.005696791 0.006121987 0.007180794 0.007567145 0.008365740 0.010739992 0.011436097 0.011950461 0.013488627 0.017302390 0.019441066 0.021572848 0.024658585 0.027364718 0.029171604 0.032060484 0.034185829 0.036822181 0.039951790 0.040442348 0.043225855 0.046251582 0.046587451 0.049031035 0.051898319 0.052271980 0.053866609 0.055437985 0.057940828 0.058789616 0.059585144 0.064589485 0.067331112 0.069456316 0.071734919 0.072861913 0.076732734 0.077636561 0.079640052 0.080461319 0.082439498 0.087655958 0.091773095 0.093773585 0.099488424 0.100776327 0.106473440 0.109295068 0.111845187 0.114026460 0.115381316 0.120809641 0.129986786 0.135509830 0.138369328 0.144910765 0.150524601 0.151161944 0.162828220 0.169144350 0.172458776 0.176880592 0.180873509 0.189376902 0.190712338 0.197650487 0.210744456 0.224047920 0.227545629 0.249696748 0.252761440 0.265825339 0.293487657 0.311101807 0.342736296 0.412547683 0.419615037 0.431583448 0.478271239 0.531528160 0.546587353 0.592917533 0.616071204 0.662302843 0.680348602 0.737898515 0.751657601 0.755602397 0.761145450 0.771229728 0.779005091 0.787733358 0.797549387 0.805665058 0.812039946 0.815376868 0.821595109 0.827603956 0.847481972 0.850825445 0.864094625 0.865387779 0.892563289 0.898881872 0.900939264 0.905613431 0.919426184 0.933800950 0.938152400 0.956628695 0.979989697 1.525807875 1.588778768</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="-3.70722725" y3="-1.55621368" z3="10.76941072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40286209" y3="-0.62749349" z3="10.25750466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.46086734" y3="-1.45070751" z3="11.84204383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80590952" y3="-1.66507887" z3="10.68206747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98713917" y3="-2.75245203" z3="10.15583504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24692828" y3="-3.68433013" z3="10.69822783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89448556" y3="-2.62256645" z3="10.24410724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30750867" y3="-2.96427332" z3="8.67620363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39245358" y3="-3.15562237" z3="8.55623123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.74686214" y3="-3.84167437" z3="8.30690881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71292365" y3="-1.70138756" z3="7.44394724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21764017" y3="-0.31927585" z3="5.97273225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56592918" y3="-0.93205149" z3="6.45598565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1236416" y3="0.7382214" z3="6.04138908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26280222" y3="-0.68963407" z3="4.4773087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71664881" y3="-0.45825138" z3="4.00590689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01110077" y3="-0.04501717" z3="3.97533571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60175501" y3="-2.16003618" z3="4.23347536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.61933585" y3="-2.35506374" z3="4.61782945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06661246" y3="-2.78452283" z3="4.85299166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50625345" y3="-2.61019529" z3="2.772738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.68821742" y3="-3.70074449" z3="2.72237093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52791091" y3="-2.45583466" z3="2.40559756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.48121035" y3="-1.90402332" z3="1.83035464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52173122" y3="-2.01902348" z3="2.18580121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.27210484" y3="-0.82225614" z3="1.76885818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42404915" y3="-2.31550719" z3="0.80583007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88023451" y3="-2.56141194" z3="7.77177264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49857648" y3="-0.52228537" z3="6.72609283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38039779" y3="0.06152209" z3="6.441781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03070584" y3="-1.84483931" z3="7.88130091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43476062" y3="-0.0053774" z3="11.76769278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.07132403" y3="0.25900716" z3="12.779217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52412004" y3="-1.10606289" z3="11.71097269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44305213" y3="0.41220008" z3="11.62382188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50981527" y3="0.50733095" z3="10.68365199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61328302" y3="1.60666454" z3="10.77661976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5203563" y3="0.08921515" z3="10.8541645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07351243" y3="0.14376406" z3="9.25497512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.1438724" y3="-0.94071351" z3="9.19411209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90663852" y3="0.32159737" z3="8.55296148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12690913" y3="0.94470069" z3="8.77283824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15185402" y3="1.08368914" z3="9.42252885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9155356" y3="1.63540219" z3="7.92087605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7072,-1.5562,10.7694;-3.4029,-.6275,10.2575;-3.4609,-1.4507,11.842;-4.8059,-1.6651,10.6821;-2.9871,-2.7525,10.1558;-3.2469,-3.6843,10.6982;-1.8945,-2.6226,10.2441;-3.3075,-2.9643,8.6762;-4.3925,-3.1556,8.5562;-2.7469,-3.8417,8.3069;-1.7129,-1.7014,7.4439;-.2176,-.3193,5.9727;.5659,-.9321,6.456;.1236,.7382,6.0414;-.2628,-.6896,4.4773;.7166,-.4583,4.0059;-1.0111,-.045,3.9753;-.6018,-2.16,4.2335;-1.6193,-2.3551,4.6178;.0666,-2.7845,4.853;-.5063,-2.6102,2.7727;-.6882,-3.7007,2.7224;.5279,-2.4558,2.4056;-1.4812,-1.904,1.8304;-2.5217,-2.019,2.1858;-1.2721,-.8223,1.7689;-1.424,-2.3155,.8058;-.8802,-2.5614,7.7718;-1.4986,-.5223,6.7261;-2.3804,.0615,6.4418;-3.0307,-1.8448,7.8813;-.4348,-.0054,11.7677;-.0713,.259,12.7792;-.5241,-1.1061,11.711;-1.4431,.4122,11.6238;.5098,.5073,10.6837;.6133,1.6067,10.7766;1.5204,.0892,10.8542;.0735,.1438,9.255;-.1439,-.9407,9.1941;.9066,.3216,8.553;-1.1269,.9447,8.7728;-2.1519,1.0837,9.4225;-.9155,1.6354,7.9209;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605309863346</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">0.002665289058 0.000480218488 0.022975724031 0.008705065011</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="126">-0.006371081 -0.000462094 0.000112828 0.000302650 0.000489109 0.000889802 0.001511831 0.002008233 0.002303088 0.002517232 0.003117417 0.004038068 0.004677773 0.005736985 0.006121836 0.007180681 0.007566524 0.008377547 0.010823754 0.011501136 0.011952319 0.013518464 0.017304572 0.019440982 0.021624683 0.024665092 0.027368758 0.029190829 0.032062139 0.034194419 0.036822139 0.039954327 0.040444094 0.043272889 0.046257444 0.046589195 0.049030308 0.051899703 0.052271704 0.053865866 0.055438031 0.057941648 0.058808951 0.059598949 0.064588806 0.067334759 0.069453279 0.071764912 0.072868170 0.076731146 0.077637080 0.079642700 0.080472608 0.082447510 0.087719410 0.091775477 0.093821068 0.099499625 0.100781030 0.106474237 0.109299023 0.111845156 0.114026498 0.115381843 0.120861226 0.129998027 0.135515709 0.138381762 0.144912057 0.150539140 0.151176906 0.162828747 0.169160783 0.172461112 0.176893659 0.180875052 0.189379382 0.190791593 0.197657362 0.210826844 0.224062032 0.227563173 0.249689616 0.252788565 0.265806806 0.293498143 0.311138995 0.342739026 0.412586438 0.419631068 0.431588245 0.478335662 0.531533400 0.546612671 0.592938007 0.616072216 0.662336078 0.680517403 0.737901590 0.751665867 0.755609627 0.761151105 0.771229678 0.779021149 0.787733003 0.797550131 0.805680171 0.812111910 0.815427726 0.821623672 0.827668649 0.847492684 0.850831214 0.864094338 0.865411769 0.892597499 0.898904994 0.900940032 0.905615815 0.919461140 0.933801882 0.938245890 0.956717951 0.980531034 1.526301963 1.588779420</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="-3.70673227" y3="-1.56261779" z3="10.76450392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39795797" y3="-0.63258399" z3="10.25773423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.46012713" y3="-1.46456467" z3="11.83781713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80565473" y3="-1.66594756" z3="10.67677449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99221065" y3="-2.75826001" z3="10.1441322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25671091" y3="-3.6917921" z3="10.68070136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89957324" y3="-2.63433026" z3="10.23316922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31378304" y3="-2.95964935" z3="8.66359734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39884876" y3="-3.14277528" z3="8.54355899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76044324" y3="-3.83748798" z3="8.28803656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71352359" y3="-1.69299196" z3="7.44298447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21806207" y3="-0.30602547" z3="5.97596772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56788858" y3="-0.91498431" z3="6.4609542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.1208619" y3="0.75292292" z3="6.03846063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26563506" y3="-0.6853374" z3="4.48283169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71369431" y3="-0.45814699" z3="4.00959012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01344288" y3="-0.04322092" z3="3.97696625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.60574332" y3="-2.15691968" z3="4.2476471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.62446687" y3="-2.3489076" z3="4.63036413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06049032" y3="-2.77804399" z3="4.87290344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50719088" y3="-2.61583287" z3="2.78996227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.69071968" y3="-3.70592864" z3="2.74534665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52773865" y3="-2.46546361" z3="2.42455998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47912419" y3="-1.91465345" z3="1.84085421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51963557" y3="-2.02491508" z3="2.19550733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.26909398" y3="-0.83309052" z3="1.7705107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42246557" y3="-2.33371324" z3="0.81943351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8797926" y3="-2.55490362" z3="7.76981497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49720228" y3="-0.506366" z3="6.73335054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37907557" y3="0.07773941" z3="6.44976216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03185925" y3="-1.83771485" z3="7.87381762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42561558" y3="-0.01456531" z3="11.76086493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0629281" y3="0.24839915" z3="12.77248018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.50796535" y3="-1.11456233" z3="11.7000538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43704713" y3="0.39710455" z3="11.62123729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51447585" y3="0.51199644" z3="10.67634897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60753649" y3="1.61202184" z3="10.77061589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52939989" y3="0.10292103" z3="10.84460827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07880624" y3="0.14552755" z3="9.24955056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13104135" y3="-0.93958929" z3="9.18998332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90989505" y3="0.33042059" z3="8.54707787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12926131" y3="0.93773194" z3="8.77001841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1547586" y3="1.06570426" z3="9.42199064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92145636" y3="1.64278372" z3="7.92592759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7067,-1.5626,10.7645;-3.398,-.6326,10.2577;-3.4601,-1.4646,11.8378;-4.8057,-1.6659,10.6768;-2.9922,-2.7583,10.1441;-3.2567,-3.6918,10.6807;-1.8996,-2.6343,10.2332;-3.3138,-2.9596,8.6636;-4.3988,-3.1428,8.5436;-2.7604,-3.8375,8.288;-1.7135,-1.693,7.443;-.2181,-.306,5.976;.5679,-.915,6.461;.1209,.7529,6.0385;-.2656,-.6853,4.4828;.7137,-.4581,4.0096;-1.0134,-.0432,3.977;-.6057,-2.1569,4.2476;-1.6245,-2.3489,4.6304;.0605,-2.778,4.8729;-.5072,-2.6158,2.79;-.6907,-3.7059,2.7453;.5277,-2.4655,2.4246;-1.4791,-1.9147,1.8409;-2.5196,-2.0249,2.1955;-1.2691,-.8331,1.7705;-1.4225,-2.3337,.8194;-.8798,-2.5549,7.7698;-1.4972,-.5064,6.7334;-2.3791,.0777,6.4498;-3.0319,-1.8377,7.8738;-.4256,-.0146,11.7609;-.0629,.2484,12.7725;-.508,-1.1146,11.7001;-1.437,.3971,11.6212;.5145,.512,10.6763;.6075,1.612,10.7706;1.5294,.1029,10.8446;.0788,.1455,9.2496;-.131,-.9396,9.19;.9099,.3304,8.5471;-1.1293,.9377,8.77;-2.1548,1.0657,9.422;-.9215,1.6428,7.9259;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605312023209</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">0.002187784791 0.000438424178 0.026880767490 0.008705596054</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="126">-0.006366029 -0.000389184 0.000123715 0.000277861 0.000489659 0.000901112 0.001512340 0.002016636 0.002303046 0.002523073 0.003119578 0.004041361 0.004683315 0.005792224 0.006136518 0.007180954 0.007584668 0.008374891 0.010870040 0.011597409 0.011951811 0.013554332 0.017317779 0.019441401 0.021651514 0.024674219 0.027372115 0.029217141 0.032067744 0.034213698 0.036823473 0.039961538 0.040445301 0.043323792 0.046263202 0.046591818 0.049030019 0.051900360 0.052271742 0.053864953 0.055437225 0.057944941 0.058821977 0.059612257 0.064588027 0.067335740 0.069452291 0.071787586 0.072868192 0.076731107 0.077637923 0.079650666 0.080496344 0.082452347 0.087756088 0.091777026 0.093855524 0.099511630 0.100789251 0.106475187 0.109299644 0.111845209 0.114026369 0.115381991 0.120893887 0.130006338 0.135518498 0.138389798 0.144914253 0.150560551 0.151182742 0.162828726 0.169171197 0.172461029 0.176895599 0.180874124 0.189382347 0.190881570 0.197673978 0.210971462 0.224060420 0.227568367 0.249683641 0.252807474 0.265782728 0.293547150 0.311205932 0.342750725 0.412619754 0.419643020 0.431600056 0.478387150 0.531631410 0.546647178 0.592948779 0.616073959 0.662359524 0.680719496 0.737902999 0.751673822 0.755615668 0.761155226 0.771233081 0.779035830 0.787744704 0.797550980 0.805703309 0.812137532 0.815442649 0.821651857 0.827774763 0.847514651 0.850850975 0.864094382 0.865421316 0.892627265 0.898915508 0.900940168 0.905615840 0.919531084 0.933802115 0.938279138 0.956793783 0.980959003 1.526661364 1.588797005</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="-3.70217859" y3="-1.57305078" z3="10.76033651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39016234" y3="-0.64074559" z3="10.25931625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.45511837" y3="-1.48279202" z3="11.83426868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80171119" y3="-1.67252492" z3="10.67156973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.99147339" y3="-2.76732413" z3="10.13207657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25888247" y3="-3.70422612" z3="10.66201549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89793286" y3="-2.64723283" z3="10.22214072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31382789" y3="-2.95690343" z3="8.65009278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39969833" y3="-3.13940583" z3="8.52808326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.7593117" y3="-3.83216625" z3="8.26736605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71371919" y3="-1.6832666" z3="7.43707994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21635367" y3="-0.29409244" z3="5.97629963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57083923" y3="-0.90059129" z3="6.46119528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12220436" y3="0.76451731" z3="6.03348149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26795251" y3="-0.68143766" z3="4.48560099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71193426" y3="-0.46156661" z3="4.00941107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0133762" y3="-0.03901586" z3="3.97715258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.61584014" y3="-2.15315028" z3="4.26116822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.63755545" y3="-2.33546834" z3="4.64068126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04275642" y3="-2.7729987" z3="4.89570155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51414179" y3="-2.6254858" z3="2.80780781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.70600155" y3="-3.71497442" z3="2.77222742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52386111" y3="-2.48623137" z3="2.44563265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47614752" y3="-1.92386147" z3="1.84897477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51942783" y3="-2.02298564" z3="2.20040904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25584892" y3="-0.84550841" z3="1.77198825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.41788434" y3="-2.35140022" z3="0.83117015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88431085" y3="-2.55149794" z3="7.74995881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49336291" y3="-0.49104556" z3="6.73877989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37513593" y3="0.09318418" z3="6.45524086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03089807" y3="-1.82779097" z3="7.87053078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42217775" y3="-0.01514837" z3="11.75912448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05728981" y3="0.24431114" z3="12.77076786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.50292023" y3="-1.11550967" z3="11.69434869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43472587" y3="0.3946768" z3="11.62219783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51480381" y3="0.51315635" z3="10.67565219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60731852" y3="1.61310467" z3="10.77287365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53019985" y3="0.10481145" z3="10.84197878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0787111" y3="0.15009477" z3="9.24614749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.12900726" y3="-0.93548112" z3="9.1845932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90877243" y3="0.33868574" z3="8.54379584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13052185" y3="0.94073077" z3="8.76825693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15677255" y3="1.06376071" z3="9.42041406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91809354" y3="1.65323406" z3="7.9344634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7022,-1.5731,10.7603;-3.3902,-.6407,10.2593;-3.4551,-1.4828,11.8343;-4.8017,-1.6725,10.6716;-2.9915,-2.7673,10.1321;-3.2589,-3.7042,10.662;-1.8979,-2.6472,10.2221;-3.3138,-2.9569,8.6501;-4.3997,-3.1394,8.5281;-2.7593,-3.8322,8.2674;-1.7137,-1.6833,7.4371;-.2164,-.2941,5.9763;.5708,-.9006,6.4612;.1222,.7645,6.0335;-.268,-.6814,4.4856;.7119,-.4616,4.0094;-1.0134,-.039,3.9772;-.6158,-2.1532,4.2612;-1.6376,-2.3355,4.6407;.0428,-2.773,4.8957;-.5141,-2.6255,2.8078;-.706,-3.715,2.7722;.5239,-2.4862,2.4456;-1.4761,-1.9239,1.849;-2.5194,-2.023,2.2004;-1.2558,-.8455,1.772;-1.4179,-2.3514,.8312;-.8843,-2.5515,7.75;-1.4934,-.491,6.7388;-2.3751,.0932,6.4552;-3.0309,-1.8278,7.8705;-.4222,-.0151,11.7591;-.0573,.2443,12.7708;-.5029,-1.1155,11.6943;-1.4347,.3947,11.6222;.5148,.5132,10.6757;.6073,1.6131,10.7729;1.5302,.1048,10.842;.0787,.1501,9.2461;-.129,-.9355,9.1846;.9088,.3387,8.5438;-1.1305,.9407,8.7683;-2.1568,1.0638,9.4204;-.9181,1.6532,7.9345;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605313187575</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">0.001529974231 0.000388686772 0.022681065482 0.008688106594</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="126">-0.006371836 -0.000260423 0.000127820 0.000264824 0.000490996 0.000914031 0.001524483 0.002017461 0.002302873 0.002526026 0.003123794 0.004042341 0.004691128 0.005853409 0.006187724 0.007181386 0.007600305 0.008384346 0.010897054 0.011747431 0.011952977 0.013583813 0.017343706 0.019442440 0.021661304 0.024685404 0.027374145 0.029240634 0.032076340 0.034231851 0.036826215 0.039970356 0.040447641 0.043352817 0.046271385 0.046594469 0.049031526 0.051901452 0.052272506 0.053865052 0.055436873 0.057965102 0.058838146 0.059618696 0.064590669 0.067335657 0.069453133 0.071809312 0.072869407 0.076749923 0.077638902 0.079664721 0.080534434 0.082460629 0.087767117 0.091776773 0.093876222 0.099518677 0.100793705 0.106475994 0.109301406 0.111846501 0.114026276 0.115382159 0.120917936 0.130011897 0.135520318 0.138391453 0.144913599 0.150582154 0.151186542 0.162830832 0.169172544 0.172461733 0.176897260 0.180872841 0.189384365 0.190959012 0.197682165 0.211033273 0.224080305 0.227576808 0.249689038 0.252845926 0.265787405 0.293562261 0.311292512 0.342758218 0.412702142 0.419652961 0.431637132 0.478391888 0.531893360 0.546687899 0.592961866 0.616075094 0.662378695 0.680899434 0.737908686 0.751673874 0.755615995 0.761161508 0.771234387 0.779055447 0.787752437 0.797551199 0.805730147 0.812137035 0.815444636 0.821664237 0.827939436 0.847522184 0.850854382 0.864092935 0.865473968 0.892662176 0.898936666 0.900942110 0.905615636 0.919546911 0.933802172 0.938287471 0.956879807 0.981183611 1.526861545 1.588942002</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="-3.69019284" y3="-1.58378849" z3="10.76281103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37540786" y3="-0.64901633" z3="10.26765464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43793958" y3="-1.50382758" z3="11.8362169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79049547" y3="-1.67648051" z3="10.67851427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9885479" y3="-2.77663484" z3="10.12203575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25859346" y3="-3.71655845" z3="10.64545113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89406858" y3="-2.66296804" z3="10.20815957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31860118" y3="-2.95330628" z3="8.64021144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40543584" y3="-3.12866535" z3="8.52195963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77146314" y3="-3.82850615" z3="8.24842006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7173391" y3="-1.67493793" z3="7.43520249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2195322" y3="-0.28473934" z3="5.97710761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56948909" y3="-0.88763978" z3="6.46531631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11724333" y3="0.77544067" z3="6.0281174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27102327" y3="-0.68121123" z3="4.4879501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71154309" y3="-0.47057289" z3="4.01330159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01114066" y3="-0.03700843" z3="3.97309057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62777625" y3="-2.15169972" z3="4.26963759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65398908" y3="-2.32433689" z3="4.64185797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02077949" y3="-2.77335328" z3="4.91201453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51808482" y3="-2.6332817" z3="2.82025458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72053355" y3="-3.72071092" z3="2.78975771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52424742" y3="-2.50690474" z3="2.46610426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46485581" y3="-1.92885127" z3="1.84798142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.51201338" y3="-2.01345187" z3="2.19148923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23316786" y3="-0.85246273" z3="1.76277387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.4034204" y3="-2.36579364" z3="0.83418831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8867194" y3="-2.54431239" z3="7.74700772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4955702" y3="-0.47850915" z3="6.74252011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3765827" y3="0.1072189" z3="6.45986663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03419535" y3="-1.82043168" z3="7.86613446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42074599" y3="-0.01141967" z3="11.7574837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05175906" y3="0.24157482" z3="12.76985679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.5088921" y3="-1.11075346" z3="11.68852578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43046423" y3="0.4054661" z3="11.62616427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51663758" y3="0.51727686" z3="10.67172552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60963708" y3="1.61760713" z3="10.76691325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53225707" y3="0.10857912" z3="10.83728157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07885822" y3="0.15072673" z3="9.24620854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.12518274" y3="-0.93611542" z3="9.1873882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90789236" y3="0.3407709" z3="8.54193699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13505881" y3="0.93812761" z3="8.77032391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16249159" y3="1.05350866" z3="9.42412333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92566213" y3="1.66133996" z3="7.94133214">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6902,-1.5838,10.7628;-3.3754,-.649,10.2677;-3.4379,-1.5038,11.8362;-4.7905,-1.6765,10.6785;-2.9885,-2.7766,10.122;-3.2586,-3.7166,10.6455;-1.8941,-2.663,10.2082;-3.3186,-2.9533,8.6402;-4.4054,-3.1287,8.522;-2.7715,-3.8285,8.2484;-1.7173,-1.6749,7.4352;-.2195,-.2847,5.9771;.5695,-.8876,6.4653;.1172,.7754,6.0281;-.271,-.6812,4.488;.7115,-.4706,4.0133;-1.0111,-.037,3.9731;-.6278,-2.1517,4.2696;-1.654,-2.3243,4.6419;.0208,-2.7734,4.912;-.5181,-2.6333,2.8203;-.7205,-3.7207,2.7898;.5242,-2.5069,2.4661;-1.4649,-1.9289,1.848;-2.512,-2.0135,2.1915;-1.2332,-.8525,1.7628;-1.4034,-2.3658,.8342;-.8867,-2.5443,7.747;-1.4956,-.4785,6.7425;-2.3766,.1072,6.4599;-3.0342,-1.8204,7.8661;-.4207,-.0114,11.7575;-.0518,.2416,12.7699;-.5089,-1.1108,11.6885;-1.4305,.4055,11.6262;.5166,.5173,10.6717;.6096,1.6176,10.7669;1.5323,.1086,10.8373;.0789,.1507,9.2462;-.1252,-.9361,9.1874;.9079,.3408,8.5419;-1.1351,.9381,8.7703;-2.1625,1.0535,9.4241;-.9257,1.6613,7.9413;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605309822369</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">0.001954991061 0.000431480401 0.029333707710 0.008714688737</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="126">-0.006387732 -0.000424795 0.000135386 0.000271175 0.000496063 0.000938814 0.001521631 0.002020577 0.002302074 0.002525937 0.003121830 0.004043170 0.004700798 0.005884845 0.006306092 0.007197540 0.007668094 0.008435312 0.010896317 0.011829763 0.011953933 0.013582813 0.017386628 0.019443876 0.021659899 0.024694975 0.027373917 0.029253941 0.032088014 0.034263541 0.036828626 0.039985002 0.040449846 0.043363772 0.046275934 0.046594951 0.049032054 0.051901221 0.052282870 0.053867541 0.055436904 0.057998803 0.058859020 0.059625119 0.064604655 0.067336097 0.069457783 0.071826121 0.072870496 0.076784174 0.077640055 0.079672471 0.080553892 0.082469647 0.087779859 0.091780368 0.093884555 0.099522152 0.100797983 0.106476242 0.109303413 0.111851875 0.114025762 0.115383531 0.120928433 0.130013446 0.135519739 0.138393014 0.144913505 0.150595225 0.151190336 0.162850437 0.169175036 0.172462846 0.176896762 0.180872781 0.189385432 0.191069781 0.197696241 0.211056440 0.224100437 0.227585353 0.249782339 0.252860133 0.265806060 0.293570192 0.311382763 0.342775243 0.412797297 0.419653984 0.431688973 0.478393471 0.532134539 0.546699496 0.592961557 0.616075788 0.662409636 0.681111998 0.737920889 0.751675555 0.755618348 0.761202491 0.771236239 0.779058934 0.787758402 0.797553046 0.805740062 0.812144910 0.815448504 0.821669203 0.828169241 0.847522788 0.850861695 0.864093549 0.865490573 0.892683115 0.898977986 0.900942212 0.905615328 0.919552223 0.933802219 0.938304312 0.956901700 0.981273814 1.526979245 1.589192650</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="-3.67485151" y3="-1.59231728" z3="10.77004418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36037201" y3="-0.65640197" z3="10.27722424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.4159768" y3="-1.51785802" z3="11.84242076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77606236" y3="-1.68072394" z3="10.69154266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98168088" y3="-2.78498437" z3="10.11957875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25369688" y3="-3.72603403" z3="10.63935266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88629062" y3="-2.67724223" z3="10.20067418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32031462" y3="-2.9517982" z3="8.63849608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40856079" y3="-3.1233609" z3="8.52531049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77770544" y3="-3.82641834" z3="8.23830906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72159291" y3="-1.6706023" z3="7.43290094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22597618" y3="-0.27976623" z3="5.97378757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56296436" y3="-0.88220824" z3="6.46062267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11087565" y3="0.77950804" z3="6.02394204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27884796" y3="-0.6779973" z3="4.48603035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70461952" y3="-0.47158825" z3="4.01119247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0162703" y3="-0.03248685" z3="3.96979661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64066879" y3="-2.14844719" z3="4.27280437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6713108" y3="-2.31381617" z3="4.63580786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00143717" y3="-2.76868809" z3="4.92726389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51900271" y3="-2.63976481" z3="2.82727488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73092866" y3="-3.72569222" z3="2.80057375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52867517" y3="-2.52483076" z3="2.48451284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44788455" y3="-1.93097776" z3="1.84101272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49974652" y3="-2.00379831" z3="2.17364452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20383415" y3="-0.85810077" z3="1.75428862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37923741" y3="-2.37300293" z3="0.83008221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89260401" y3="-2.54268605" z3="7.7370235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50081334" y3="-0.47358629" z3="6.74117422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38268098" y3="0.11195562" z3="6.46075352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03676558" y3="-1.81501089" z3="7.87025085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42310133" y3="-0.00478358" z3="11.76030492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.04727105" y3="0.24556212" z3="12.77018975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52210762" y3="-1.10330007" z3="11.69224251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43105938" y3="0.42050209" z3="11.63264193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51523993" y3="0.51309083" z3="10.67231592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61884967" y3="1.61266187" z3="10.76650267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5272522" y3="0.09520724" z3="10.83585948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07138021" y3="0.15072944" z3="9.244801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14167137" y3="-0.93341252" z3="9.18654267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89989298" y3="0.33464093" z3="8.53946012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13582813" y3="0.94527113" z3="8.76964618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16221966" y3="1.0669787" z3="9.42138161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91973901" y3="1.66496621" z3="7.94279065">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6749,-1.5923,10.77;-3.3604,-.6564,10.2772;-3.416,-1.5179,11.8424;-4.7761,-1.6807,10.6915;-2.9817,-2.785,10.1196;-3.2537,-3.726,10.6394;-1.8863,-2.6772,10.2007;-3.3203,-2.9518,8.6385;-4.4086,-3.1234,8.5253;-2.7777,-3.8264,8.2383;-1.7216,-1.6706,7.4329;-.226,-.2798,5.9738;.563,-.8822,6.4606;.1109,.7795,6.0239;-.2788,-.678,4.486;.7046,-.4716,4.0112;-1.0163,-.0325,3.9698;-.6407,-2.1484,4.2728;-1.6713,-2.3138,4.6358;-.0014,-2.7687,4.9273;-.519,-2.6398,2.8273;-.7309,-3.7257,2.8006;.5287,-2.5248,2.4845;-1.4479,-1.931,1.841;-2.4997,-2.0038,2.1736;-1.2038,-.8581,1.7543;-1.3792,-2.373,.8301;-.8926,-2.5427,7.737;-1.5008,-.4736,6.7412;-2.3827,.112,6.4608;-3.0368,-1.815,7.8703;-.4231,-.0048,11.7603;-.0473,.2456,12.7702;-.5221,-1.1033,11.6922;-1.4311,.4205,11.6326;.5152,.5131,10.6723;.6188,1.6127,10.7665;1.5273,.0952,10.8359;.0714,.1507,9.2448;-.1417,-.9334,9.1865;.8999,.3346,8.5395;-1.1358,.9453,8.7696;-2.1622,1.067,9.4214;-.9197,1.665,7.9428;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605306294300</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">0.002964615692 0.000448023291 0.028212212459 0.008787873366</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="126">-0.006390843 -0.000417348 -0.000033331 0.000296814 0.000437831 0.000938593 0.001522041 0.002014559 0.002306934 0.002530177 0.003120669 0.004039538 0.004709095 0.005880563 0.006428245 0.007218611 0.007819522 0.008577225 0.010902582 0.011884783 0.011960555 0.013585550 0.017436870 0.019451891 0.021675679 0.024704646 0.027374567 0.029260501 0.032111132 0.034310966 0.036827452 0.039988677 0.040449875 0.043373799 0.046279543 0.046595376 0.049034184 0.051901137 0.052302146 0.053869855 0.055437524 0.058061806 0.058871731 0.059628200 0.064596711 0.067337333 0.069454212 0.071832951 0.072872777 0.076847504 0.077642301 0.079702256 0.080621415 0.082473194 0.087789626 0.091787695 0.093947357 0.099528043 0.100805179 0.106476726 0.109310418 0.111861360 0.114025225 0.115385118 0.120950881 0.130013045 0.135522908 0.138395832 0.144909699 0.150647417 0.151265849 0.162888991 0.169185652 0.172466453 0.176904163 0.180877132 0.189403866 0.191084873 0.197700425 0.211083971 0.224114018 0.227606564 0.249917603 0.252878313 0.265875738 0.293578457 0.311542881 0.342802791 0.413050148 0.419690058 0.431732071 0.478414659 0.532439771 0.546715304 0.592971214 0.616076014 0.662424220 0.681261337 0.737933238 0.751685040 0.755625918 0.761346671 0.771244458 0.779060245 0.787762987 0.797556405 0.805753821 0.812197378 0.815475196 0.821681431 0.828475944 0.847523891 0.850871529 0.864128239 0.865501751 0.892712181 0.898994741 0.900948491 0.905624280 0.919554632 0.933803849 0.938334670 0.956929258 0.981285260 1.526984742 1.589997404</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="-3.65807685" y3="-1.59645843" z3="10.78047467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.34421557" y3="-0.65928999" z3="10.28908287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.38892438" y3="-1.52850731" z3="11.85076303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.76038714" y3="-1.67950674" z3="10.71197521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97610234" y3="-2.78900447" z3="10.1179253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24798243" y3="-3.73191669" z3="10.63510437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.87933136" y3="-2.6868139" z3="10.19032122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.327724" y3="-2.94705457" z3="8.63866259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41779259" y3="-3.11225677" z3="8.53343949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.79323397" y3="-3.82309712" z3="8.23062569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73117984" y3="-1.6669422" z3="7.42940113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23570665" y3="-0.27538632" z3="5.97125123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55525439" y3="-0.87499405" z3="6.46026286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.0986674" y3="0.78556798" z3="6.018802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28653931" y3="-0.67751827" z3="4.48370198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69775644" y3="-0.4719977" z3="4.01022189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02338611" y3="-0.03296996" z3="3.96433523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64850303" y3="-2.14786313" z3="4.27150583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6827856" y3="-2.31090908" z3="4.62532572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01739238" y3="-2.76797737" z3="4.93207326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51388725" y3="-2.64274417" z3="2.82877942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.729262" y3="-3.72792359" z3="2.80255883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53764079" y3="-2.53222484" z3="2.49695705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42960872" y3="-1.93402616" z3="1.83011067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48539961" y3="-2.00245514" z3="2.1502436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.18130558" y3="-0.86177171" z3="1.74290081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3510252" y3="-2.37922485" z3="0.8211026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90183097" y3="-2.54083394" z3="7.73090499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51024599" y3="-0.46972006" z3="6.73905628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39063898" y3="0.12028552" z3="6.46341333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04477826" y3="-1.80881492" z3="7.87205233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42471295" y3="0.00330679" z3="11.76323443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.04236109" y3="0.24965027" z3="12.77251077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.53683516" y3="-1.09445806" z3="11.69572182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42649891" y3="0.44102463" z3="11.63907314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51592921" y3="0.51045534" z3="10.67057391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62847722" y3="1.60938807" z3="10.76011946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52530183" y3="0.08540208" z3="10.83340809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06706972" y3="0.1443562" z3="9.24817554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14905672" y3="-0.94055897" z3="9.19370593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89469394" y3="0.32214807" z3="8.53943205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1399372" y3="0.94339146" z3="8.77565075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16686771" y3="1.06360628" z3="9.4294583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92563689" y3="1.66602512" z3="7.94797319">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6581,-1.5965,10.7805;-3.3442,-.6593,10.2891;-3.3889,-1.5285,11.8508;-4.7604,-1.6795,10.712;-2.9761,-2.789,10.1179;-3.248,-3.7319,10.6351;-1.8793,-2.6868,10.1903;-3.3277,-2.9471,8.6387;-4.4178,-3.1123,8.5334;-2.7932,-3.8231,8.2306;-1.7312,-1.6669,7.4294;-.2357,-.2754,5.9713;.5553,-.875,6.4603;.0987,.7856,6.0188;-.2865,-.6775,4.4837;.6978,-.472,4.0102;-1.0234,-.033,3.9643;-.6485,-2.1479,4.2715;-1.6828,-2.3109,4.6253;-.0174,-2.768,4.9321;-.5139,-2.6427,2.8288;-.7293,-3.7279,2.8026;.5376,-2.5322,2.497;-1.4296,-1.934,1.8301;-2.4854,-2.0025,2.1502;-1.1813,-.8618,1.7429;-1.351,-2.3792,.8211;-.9018,-2.5408,7.7309;-1.5102,-.4697,6.7391;-2.3906,.1203,6.4634;-3.0448,-1.8088,7.8721;-.4247,.0033,11.7632;-.0424,.2497,12.7725;-.5368,-1.0945,11.6957;-1.4265,.441,11.6391;.5159,.5105,10.6706;.6285,1.6094,10.7601;1.5253,.0854,10.8334;.0671,.1444,9.2482;-.1491,-.9406,9.1937;.8947,.3221,8.5394;-1.1399,.9434,8.7757;-2.1669,1.0636,9.4295;-.9256,1.666,7.948;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605303345152</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">0.002665311798 0.000401573459 0.024732991901 0.008677120582</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="126">-0.006244061 -0.000435109 0.000038824 0.000117953 0.000352342 0.000935751 0.001531010 0.002016416 0.002307545 0.002510884 0.003103860 0.004038291 0.004709936 0.005843263 0.006468354 0.007220602 0.007837524 0.008690189 0.010909341 0.011905312 0.011976883 0.013596772 0.017486140 0.019465870 0.021707150 0.024710903 0.027373995 0.029259365 0.032128604 0.034358759 0.036831279 0.039993929 0.040450011 0.043379560 0.046278844 0.046595186 0.049035231 0.051900467 0.052330414 0.053883634 0.055438669 0.058097723 0.058884153 0.059632652 0.064655423 0.067342594 0.069456487 0.071845949 0.072872070 0.076880931 0.077650874 0.079713088 0.080655080 0.082475120 0.087760021 0.091798608 0.093940633 0.099531172 0.100808765 0.106477258 0.109315760 0.111871778 0.114024583 0.115385360 0.120953421 0.130013050 0.135529627 0.138400512 0.144935688 0.150766437 0.151351252 0.162945603 0.169204355 0.172470766 0.176925945 0.180876439 0.189489500 0.191205349 0.197719379 0.211097386 0.224110439 0.227612741 0.250039917 0.252878131 0.265973577 0.293583630 0.311634530 0.342826041 0.413269369 0.419768729 0.431770687 0.478434108 0.532658075 0.546729575 0.593003402 0.616081476 0.662432064 0.681340681 0.737940920 0.751691062 0.755643626 0.761445598 0.771260248 0.779061128 0.787773680 0.797561577 0.805765653 0.812389684 0.815507839 0.821687088 0.828678402 0.847526039 0.850877199 0.864372521 0.865505582 0.892722238 0.899015440 0.900968435 0.905623530 0.919556163 0.933805034 0.938386689 0.957014601 0.981287113 1.526998003 1.590713620</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="-3.67552612" y3="-1.58598078" z3="10.77965348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36327978" y3="-0.65081812" z3="10.28395938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.41304658" y3="-1.50936009" z3="11.85093476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77683641" y3="-1.67526724" z3="10.70536725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98355377" y3="-2.7791757" z3="10.12915137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25250515" y3="-3.71953622" z3="10.65214096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88796372" y3="-2.66986021" z3="10.20606965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32681681" y3="-2.9501102" z3="8.64956313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.41549029" y3="-3.12116489" z3="8.54021876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.78621004" y3="-3.82650837" z3="8.25088265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7303086" y3="-1.67450639" z3="7.43484707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23550075" y3="-0.28422555" z3="5.97315652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55449016" y3="-0.88607917" z3="6.46063117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.09966655" y3="0.7762256" z3="6.02503584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28524676" y3="-0.67946663" z3="4.48404352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69763934" y3="-0.46692652" z3="4.01076802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02542369" y3="-0.03585507" z3="3.9687347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63981307" y3="-2.15046708" z3="4.26488784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67125606" y3="-2.32188267" z3="4.62270377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00130787" y3="-2.77041944" z3="4.91870598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.50872358" y3="-2.63582506" z3="2.8186066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71653783" y3="-3.72236014" z3="2.78659319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54033208" y3="-2.51572253" z3="2.48251702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.43396566" y3="-1.92751056" z3="1.82896489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48771551" y3="-2.00588167" z3="2.15341247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19386017" y3="-0.85310432" z3="1.74789987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.35645411" y3="-2.36559363" z3="0.81686242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.90030308" y3="-2.54567342" z3="7.74147382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51080404" y3="-0.48050765" z3="6.73882535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.39190056" y3="0.10773347" z3="6.46167109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04466216" y3="-1.81636069" z3="7.87633686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41776001" y3="-0.0077504" z3="11.75964216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.04166398" y3="0.24468654" z3="12.76923144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.51455415" y3="-1.10652973" z3="11.69307365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.42466996" y3="0.41629164" z3="11.63151491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51825241" y3="0.5115739" z3="10.66915613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62031461" y3="1.61090628" z3="10.76235858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5312472" y3="0.09547283" z3="10.83082307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07202883" y3="0.14739784" z3="9.24459713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13961357" y3="-0.93776289" z3="9.18643032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89900493" y3="0.33142443" z3="8.53703915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13786676" y3="0.94233312" z3="8.77325848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16233962" y3="1.06396959" z3="9.42947723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92785766" y3="1.65956512" z3="7.94115118">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6755,-1.586,10.7797;-3.3633,-.6508,10.284;-3.413,-1.5094,11.8509;-4.7768,-1.6753,10.7054;-2.9836,-2.7792,10.1292;-3.2525,-3.7195,10.6521;-1.888,-2.6699,10.2061;-3.3268,-2.9501,8.6496;-4.4155,-3.1212,8.5402;-2.7862,-3.8265,8.2509;-1.7303,-1.6745,7.4348;-.2355,-.2842,5.9732;.5545,-.8861,6.4606;.0997,.7762,6.025;-.2852,-.6795,4.484;.6976,-.4669,4.0108;-1.0254,-.0359,3.9687;-.6398,-2.1505,4.2649;-1.6713,-2.3219,4.6227;-.0013,-2.7704,4.9187;-.5087,-2.6358,2.8186;-.7165,-3.7224,2.7866;.5403,-2.5157,2.4825;-1.434,-1.9275,1.829;-2.4877,-2.0059,2.1534;-1.1939,-.8531,1.7479;-1.3565,-2.3656,.8169;-.9003,-2.5457,7.7415;-1.5108,-.4805,6.7388;-2.3919,.1077,6.4617;-3.0447,-1.8164,7.8763;-.4178,-.0078,11.7596;-.0417,.2447,12.7692;-.5146,-1.1065,11.6931;-1.4247,.4163,11.6315;.5183,.5116,10.6692;.6203,1.6109,10.7624;1.5312,.0955,10.8308;.072,.1474,9.2446;-.1396,-.9378,9.1864;.899,.3314,8.537;-1.1379,.9423,8.7733;-2.1623,1.064,9.4295;-.9279,1.6596,7.9412;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605316000508</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">0.000930517640 0.000188193393 0.021508417815 0.008718407480</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="126">-0.006366197 -0.000216897 0.000042667 0.000239423 0.000316661 0.000931652 0.001498602 0.002008383 0.002309130 0.002501223 0.003076357 0.004040053 0.004707773 0.005798997 0.006519210 0.007221119 0.007831163 0.008752674 0.010912626 0.011871394 0.011966805 0.013612193 0.017523527 0.019474339 0.021751323 0.024711241 0.027376071 0.029254583 0.032135108 0.034385590 0.036835040 0.039999904 0.040450421 0.043379015 0.046275481 0.046594491 0.049032762 0.051901641 0.052359384 0.053875863 0.055439316 0.058144349 0.058890846 0.059637829 0.064722897 0.067345686 0.069459778 0.071844200 0.072873109 0.076901612 0.077655067 0.079729291 0.080684225 0.082475063 0.087721555 0.091806002 0.093948874 0.099531306 0.100808582 0.106481803 0.109334424 0.111916889 0.114027365 0.115385220 0.120953470 0.130018768 0.135539918 0.138410127 0.144945594 0.150812838 0.151553710 0.163007711 0.169214166 0.172479655 0.176935597 0.180872979 0.189564448 0.191320601 0.197733584 0.211090846 0.224114132 0.227606412 0.250057786 0.252875712 0.265988379 0.293585016 0.311694458 0.342844234 0.413492271 0.419855377 0.431790460 0.478490946 0.532715685 0.546763274 0.593046011 0.616090715 0.662449818 0.681410818 0.737971244 0.751704653 0.755668866 0.761768241 0.771281838 0.779063146 0.787779955 0.797564873 0.805778273 0.812585284 0.815531724 0.821699722 0.828839022 0.847526240 0.850882642 0.864610232 0.865544416 0.892731808 0.899143606 0.901006192 0.905624511 0.919560376 0.933804875 0.938549571 0.957108305 0.981302498 1.527016453 1.591091016</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="-3.68143897" y3="-1.57931912" z3="10.77424488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37077875" y3="-0.646359" z3="10.27345352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42513995" y3="-1.49329089" z3="11.84634855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78192943" y3="-1.67425651" z3="10.69453667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98048017" y3="-2.77422209" z3="10.13651905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24748476" y3="-3.71163798" z3="10.66561709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88590407" y3="-2.65910871" z3="10.21803789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3155523" y3="-2.9583704" z3="8.65654086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40276583" y3="-3.13586491" z3="8.54330846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76856898" y3="-3.83506277" z3="8.26730505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71966245" y3="-1.68420571" z3="7.43894398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2266014" y3="-0.29618521" z3="5.97314444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56099133" y3="-0.90213801" z3="6.45854978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11162417" y3="0.76289914" z3="6.02947833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27725976" y3="-0.68437472" z3="4.48236253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70595396" y3="-0.47270231" z3="4.00943181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01574921" y3="-0.03623818" z3="3.97035407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63678006" y3="-2.15319512" z3="4.25695365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66628606" y3="-2.3238833" z3="4.62071279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00496166" y3="-2.77839481" z3="4.90299067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51654223" y3="-2.63081096" z3="2.80699967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72788892" y3="-3.71657133" z3="2.77011559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53050421" y3="-2.51192546" z3="2.46453076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44652506" y3="-1.91413237" z3="1.82755098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49801892" y3="-1.99053298" z3="2.15913074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20346715" y3="-0.83999013" z3="1.75044438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37796253" y3="-2.34688776" z3="0.8125318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88718638" y3="-2.55020387" z3="7.75441195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50307181" y3="-0.49385441" z3="6.73628856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38539591" y3="0.09066531" z3="6.45504767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03549191" y3="-1.82912642" z3="7.87618332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42813901" y3="-0.00141138" z3="11.76225387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05576086" y3="0.25279575" z3="12.77323621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52571996" y3="-1.10083455" z3="11.69805154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43545671" y3="0.42333235" z3="11.63023474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51312268" y3="0.51324833" z3="10.67456636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61755846" y3="1.6127695" z3="10.76701277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5244751" y3="0.09492686" z3="10.84098492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07184459" y3="0.14785356" z3="9.24912306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14033057" y3="-0.93730939" z3="9.19046454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90131706" y3="0.33025284" z3="8.54432495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13530845" y3="0.94231115" z3="8.77182751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16121899" y3="1.06799985" z3="9.42446889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92484752" y3="1.65273344" z3="7.93375404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6814,-1.5793,10.7742;-3.3708,-.6464,10.2735;-3.4251,-1.4933,11.8463;-4.7819,-1.6743,10.6945;-2.9805,-2.7742,10.1365;-3.2475,-3.7116,10.6656;-1.8859,-2.6591,10.218;-3.3156,-2.9584,8.6565;-4.4028,-3.1359,8.5433;-2.7686,-3.8351,8.2673;-1.7197,-1.6842,7.4389;-.2266,-.2962,5.9731;.561,-.9021,6.4585;.1116,.7629,6.0295;-.2773,-.6844,4.4824;.706,-.4727,4.0094;-1.0157,-.0362,3.9704;-.6368,-2.1532,4.257;-1.6663,-2.3239,4.6207;.005,-2.7784,4.903;-.5165,-2.6308,2.807;-.7279,-3.7166,2.7701;.5305,-2.5119,2.4645;-1.4465,-1.9141,1.8276;-2.498,-1.9905,2.1591;-1.2035,-.84,1.7504;-1.378,-2.3469,.8125;-.8872,-2.5502,7.7544;-1.5031,-.4939,6.7363;-2.3854,.0907,6.455;-3.0355,-1.8291,7.8762;-.4281,-.0014,11.7623;-.0558,.2528,12.7732;-.5257,-1.1008,11.6981;-1.4355,.4233,11.6302;.5131,.5132,10.6746;.6176,1.6128,10.767;1.5245,.0949,10.841;.0718,.1479,9.2491;-.1403,-.9373,9.1905;.9013,.3303,8.5443;-1.1353,.9423,8.7718;-2.1612,1.068,9.4245;-.9248,1.6527,7.9338;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605321258510</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">0.001282422000 0.000198278359 0.026076701464 0.008631893025</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="126">-0.003995042 -0.000028632 0.000110374 0.000225764 0.000354046 0.000743686 0.001529046 0.001993257 0.002209010 0.002483669 0.003070513 0.004030635 0.004681290 0.005595814 0.006506580 0.007186633 0.007787351 0.008744075 0.010912938 0.011780346 0.011965802 0.013615112 0.017492682 0.019486511 0.021757180 0.024708971 0.027373253 0.029239256 0.032134886 0.034371584 0.036832353 0.040020624 0.040449018 0.043367324 0.046274333 0.046594716 0.049037419 0.051901998 0.052362097 0.053846263 0.055446295 0.058133440 0.058892407 0.059592639 0.064787459 0.067346577 0.069459184 0.071837118 0.072880676 0.076863188 0.077656375 0.079671069 0.080664578 0.082468404 0.087720492 0.091774490 0.093947222 0.099532556 0.100810170 0.106482173 0.109335251 0.111898482 0.114028732 0.115386165 0.120934716 0.130021004 0.135539861 0.138425844 0.144946908 0.150853890 0.151668037 0.163008915 0.169215377 0.172485424 0.176945207 0.180911184 0.189587638 0.191341423 0.197702518 0.211134425 0.224137710 0.227581835 0.250067091 0.252863720 0.266119949 0.293600968 0.311694479 0.342850729 0.413556017 0.419926367 0.431798858 0.478519215 0.533450881 0.546783587 0.593054283 0.616098266 0.662458760 0.681491993 0.737984650 0.751709177 0.755670868 0.761842567 0.771293804 0.779063783 0.787788915 0.797566403 0.805789664 0.812806740 0.815556681 0.821704003 0.828848374 0.847529844 0.850905603 0.864730162 0.865559600 0.892733154 0.899331178 0.901009164 0.905664920 0.919566424 0.933811302 0.938693342 0.957318983 0.981352340 1.527062235 1.591255750</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="-3.67480872" y3="-1.57556012" z3="10.77971204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36177106" y3="-0.6448777" z3="10.27629225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.41634121" y3="-1.48797043" z3="11.85112437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77573009" y3="-1.66663272" z3="10.70233923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97946812" y3="-2.77452289" z3="10.14361495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24897159" y3="-3.70943343" z3="10.67572223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8843395" y3="-2.66327499" z3="10.22292712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31814503" y3="-2.96158364" z3="8.66486589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4061576" y3="-3.13665517" z3="8.55473543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77431276" y3="-3.84072176" z3="8.27670294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72170974" y3="-1.6945249" z3="7.43984689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22633922" y3="-0.30712941" z3="5.97470768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55961687" y3="-0.917465" z3="6.45828067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11461372" y3="0.75125047" z3="6.03647123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2764141" y3="-0.68688404" z3="4.48172792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70626481" y3="-0.46927412" z3="4.01027055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01677644" y3="-0.03751366" z3="3.97394527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63085809" y3="-2.15569321" z3="4.24649652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65918441" y3="-2.3334189" z3="4.61050328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01514023" y3="-2.78258892" z3="4.88734478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51062272" y3="-2.62192404" z3="2.79269082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71476577" y3="-3.7087944" z3="2.74769304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53510075" y3="-2.49303623" z3="2.44914623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44730313" y3="-1.90390859" z3="1.8210585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49773337" y3="-1.99082094" z3="2.15406186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.2116898" y3="-0.82785484" z3="1.75238314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37753621" y3="-2.32783306" z3="0.80259652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89147532" y3="-2.56300249" z3="7.75264474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50359742" y3="-0.5044888" z3="6.73654959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38528556" y3="0.08124652" z3="6.45567776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03688735" y3="-1.83504353" z3="7.8810784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43367858" y3="0.01685687" z3="11.76833689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05782829" y3="0.27887245" z3="12.77579959">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.54089965" y3="-1.08214944" z3="11.71583576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4368357" y3="0.44906206" z3="11.63269053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51072187" y3="0.51264999" z3="10.67389355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62515669" y3="1.61232889" z3="10.75571578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51838019" y3="0.08658571" z3="10.84284137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06488697" y3="0.13731384" z3="9.25127877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15440507" y3="-0.94672502" z3="9.20318109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89531291" y3="0.30834225" z3="8.54381513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13728897" y3="0.93538885" z3="8.76838835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16449773" y3="1.06779167" z3="9.41703404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91989847" y3="1.64300411" z3="7.93035017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6748,-1.5756,10.7797;-3.3618,-.6449,10.2763;-3.4163,-1.488,11.8511;-4.7757,-1.6666,10.7023;-2.9795,-2.7745,10.1436;-3.249,-3.7094,10.6757;-1.8843,-2.6633,10.2229;-3.3181,-2.9616,8.6649;-4.4062,-3.1367,8.5547;-2.7743,-3.8407,8.2767;-1.7217,-1.6945,7.4398;-.2263,-.3071,5.9747;.5596,-.9175,6.4583;.1146,.7513,6.0365;-.2764,-.6869,4.4817;.7063,-.4693,4.0103;-1.0168,-.0375,3.9739;-.6309,-2.1557,4.2465;-1.6592,-2.3334,4.6105;.0151,-2.7826,4.8873;-.5106,-2.6219,2.7927;-.7148,-3.7088,2.7477;.5351,-2.493,2.4491;-1.4473,-1.9039,1.8211;-2.4977,-1.9908,2.1541;-1.2117,-.8279,1.7524;-1.3775,-2.3278,.8026;-.8915,-2.563,7.7526;-1.5036,-.5045,6.7365;-2.3853,.0812,6.4557;-3.0369,-1.835,7.8811;-.4337,.0169,11.7683;-.0578,.2789,12.7758;-.5409,-1.0821,11.7158;-1.4368,.4491,11.6327;.5107,.5126,10.6739;.6252,1.6123,10.7557;1.5184,.0866,10.8428;.0649,.1373,9.2513;-.1544,-.9467,9.2032;.8953,.3083,8.5438;-1.1373,.9354,8.7684;-2.1645,1.0678,9.417;-.9199,1.643,7.9304;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605321757202</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">0.000872877921 0.000174262624 0.024304050729 0.007583275793</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="126">-0.003964709 0.000065486 0.000095539 0.000269030 0.000366626 0.000611816 0.001529765 0.001981273 0.002206256 0.002478113 0.003064136 0.004029971 0.004673470 0.005456103 0.006493476 0.007188231 0.007782336 0.008736243 0.010910920 0.011792846 0.011967281 0.013615481 0.017494457 0.019491513 0.021761779 0.024706105 0.027372202 0.029244116 0.032134572 0.034371670 0.036824929 0.040019419 0.040449756 0.043372279 0.046275831 0.046594739 0.049039045 0.051902401 0.052363240 0.053856608 0.055438505 0.058131982 0.058894552 0.059589321 0.064793527 0.067347892 0.069459748 0.071842245 0.072880286 0.076865639 0.077656439 0.079663110 0.080664001 0.082470372 0.087750064 0.091772392 0.093933355 0.099534341 0.100812700 0.106482883 0.109335617 0.111906235 0.114028533 0.115386311 0.120936625 0.130021422 0.135539766 0.138425084 0.144952946 0.150867015 0.151674591 0.163008449 0.169213394 0.172486036 0.176952590 0.180939168 0.189589810 0.191346800 0.197703678 0.211115108 0.224120124 0.227588631 0.250082964 0.252858805 0.266042706 0.293590045 0.311697967 0.342856597 0.413570425 0.419925541 0.431800749 0.478520287 0.533460148 0.546788637 0.593058400 0.616098551 0.662460465 0.681486320 0.737990640 0.751711426 0.755668638 0.761839796 0.771293477 0.779063613 0.787791862 0.797566551 0.805790097 0.812804608 0.815556108 0.821704194 0.828857173 0.847529891 0.850908298 0.864716121 0.865554476 0.892731054 0.899284796 0.901007457 0.905667987 0.919567163 0.933809745 0.938739901 0.957267772 0.981355208 1.527060601 1.591289792</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="-3.68784415" y3="-1.5717003" z3="10.77316063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37918556" y3="-0.64083117" z3="10.26748137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43638038" y3="-1.4770922" z3="11.8455778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.7875414" y3="-1.67218397" z3="10.68974527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97901222" y3="-2.76773785" z3="10.14656725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24254098" y3="-3.70225546" z3="10.68251753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88520989" y3="-2.64619358" z3="10.23019562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30859776" y3="-2.96523211" z3="8.66723525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.3946779" y3="-3.14863374" z3="8.55226182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75623316" y3="-3.84236408" z3="8.28702733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71383983" y3="-1.69782125" z3="7.4409992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21894779" y3="-0.31349323" z3="5.97349846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56478352" y3="-0.92614811" z3="6.45686601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12378366" y3="0.74378562" z3="6.03795267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26743396" y3="-0.68994526" z3="4.47960537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71582314" y3="-0.47319793" z3="4.0091936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00634884" y3="-0.03856808" z3="3.97265389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62418905" y3="-2.15708399" z3="4.24171766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64948863" y3="-2.33497199" z3="4.61361125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02635775" y3="-2.78666154" z3="4.87478411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51592677" y3="-2.61865721" z3="2.78549578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71749357" y3="-3.70570838" z3="2.73957084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52601843" y3="-2.48626215" z3="2.43241737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46374612" y3="-1.90087229" z3="1.82422352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5108842" y3="-1.99169239" z3="2.16645135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23252789" y3="-0.8236653" z3="1.75603181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40184026" y3="-2.32192416" z3="0.80396013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88156658" y3="-2.56216943" z3="7.76119538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49781709" y3="-0.51192991" z3="6.731885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37946463" y3="0.07318963" z3="6.44985149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03032737" y3="-1.84116539" z3="7.87921044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43848155" y3="0.01392968" z3="11.76944546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0669064" y3="0.27449356" z3="12.77849045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.54483398" y3="-1.0843719" z3="11.71547749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44178105" y3="0.44567655" z3="11.63016902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50964805" y3="0.51268381" z3="10.68028653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.6225137" y3="1.61167335" z3="10.76360183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51737026" y3="0.08746716" z3="10.8522294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06794843" y3="0.14064403" z3="9.25622849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15239255" y3="-0.94290038" z3="9.20527463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89932437" y3="0.31100512" z3="8.55123292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13237293" y3="0.94092151" z3="8.77156829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16030404" y3="1.0756507" z3="9.41771332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9157946" y3="1.64170133" z3="7.92770984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6878,-1.5717,10.7732;-3.3792,-.6408,10.2675;-3.4364,-1.4771,11.8456;-4.7875,-1.6722,10.6897;-2.979,-2.7677,10.1466;-3.2425,-3.7023,10.6825;-1.8852,-2.6462,10.2302;-3.3086,-2.9652,8.6672;-4.3947,-3.1486,8.5523;-2.7562,-3.8424,8.287;-1.7138,-1.6978,7.441;-.2189,-.3135,5.9735;.5648,-.9261,6.4569;.1238,.7438,6.038;-.2674,-.6899,4.4796;.7158,-.4732,4.0092;-1.0063,-.0386,3.9727;-.6242,-2.1571,4.2417;-1.6495,-2.335,4.6136;.0264,-2.7867,4.8748;-.5159,-2.6187,2.7855;-.7175,-3.7057,2.7396;.526,-2.4863,2.4324;-1.4637,-1.9009,1.8242;-2.5109,-1.9917,2.1665;-1.2325,-.8237,1.756;-1.4018,-2.3219,.804;-.8816,-2.5622,7.7612;-1.4978,-.5119,6.7319;-2.3795,.0732,6.4499;-3.0303,-1.8412,7.8792;-.4385,.0139,11.7694;-.0669,.2745,12.7785;-.5448,-1.0844,11.7155;-1.4418,.4457,11.6302;.5096,.5127,10.6803;.6225,1.6117,10.7636;1.5174,.0875,10.8522;.0679,.1406,9.2562;-.1524,-.9429,9.2053;.8993,.311,8.5512;-1.1324,.9409,8.7716;-2.1603,1.0757,9.4177;-.9158,1.6417,7.9277;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605322995203</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">0.000841253999 0.000128825517 0.031292027142 0.008773865220</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="126">-0.003949464 -0.000000111 0.000118666 0.000253319 0.000363878 0.000617381 0.001531887 0.002010985 0.002208736 0.002487564 0.003073887 0.004031083 0.004676277 0.005458368 0.006494390 0.007188397 0.007795741 0.008736696 0.010910637 0.011792077 0.011966695 0.013615550 0.017516000 0.019493802 0.021760763 0.024709813 0.027372308 0.029244562 0.032134352 0.034371135 0.036827556 0.040019314 0.040450663 0.043371427 0.046275144 0.046594651 0.049038815 0.051902688 0.052365358 0.053856591 0.055439194 0.058132429 0.058894196 0.059587565 0.064801649 0.067346802 0.069461137 0.071840453 0.072879810 0.076872217 0.077655914 0.079665654 0.080672368 0.082469180 0.087767739 0.091777868 0.093943130 0.099535172 0.100813255 0.106483264 0.109334924 0.111905828 0.114028877 0.115386287 0.120939980 0.130021089 0.135540489 0.138426439 0.144964884 0.150890198 0.151673917 0.163008286 0.169212401 0.172486520 0.176955911 0.180958920 0.189589479 0.191346595 0.197703534 0.211111234 0.224123424 0.227594570 0.250090892 0.252856785 0.266052832 0.293585997 0.311697825 0.342855667 0.413572452 0.419924962 0.431799362 0.478522834 0.533465412 0.546788225 0.593058493 0.616099869 0.662461062 0.681486024 0.737992837 0.751714034 0.755668234 0.761840633 0.771293489 0.779065025 0.787799079 0.797566750 0.805790157 0.812804569 0.815556221 0.821705139 0.828870371 0.847529631 0.850908188 0.864723647 0.865557598 0.892730895 0.899302523 0.901007590 0.905668543 0.919569340 0.933810227 0.938832173 0.957267998 0.981358429 1.527063715 1.591303319</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="-3.69771616" y3="-1.56738492" z3="10.76316767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38979636" y3="-0.63698588" z3="10.25669447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.45071464" y3="-1.46963033" z3="11.83644059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79644706" y3="-1.67082881" z3="10.67542951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98343696" y3="-2.76259274" z3="10.14216351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24776618" y3="-3.69624636" z3="10.67819252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89088504" y3="-2.63871558" z3="10.23138975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30477167" y3="-2.96298205" z3="8.66131345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.38970207" y3="-3.15001289" z3="8.54060634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.74756792" y3="-3.83871737" z3="8.28474215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70826606" y3="-1.69205952" z3="7.44043649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2153287" y3="-0.30568552" z3="5.97195968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57159842" y3="-0.9140663" z3="6.45647534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12383955" y3="0.75332228" z3="6.03238656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26589143" y3="-0.68734103" z3="4.47942702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71545566" y3="-0.46867778" z3="4.00579442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00859366" y3="-0.04026795" z3="3.97220051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.6185667" y3="-2.15681973" z3="4.24765833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64105356" y3="-2.33765185" z3="4.62641429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03863976" y3="-2.78203109" z3="4.87884323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51839168" y3="-2.62186251" z3="2.79210738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71542327" y3="-3.70999526" z3="2.75087851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52052687" y3="-2.48562568" z3="2.43108207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47663073" y3="-1.91130739" z3="1.83581429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.52042481" y3="-2.00518369" z3="2.18761351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.25016505" y3="-0.8333438" z3="1.76057753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.42184605" y3="-2.3367153" z3="0.81680312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87470749" y3="-2.5542167" z3="7.76317666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49332571" y3="-0.50561457" z3="6.73169615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37601389" y3="0.07724318" z3="6.44818443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0259044" y3="-1.83863583" z3="7.87398337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4372142" y3="-0.00690071" z3="11.76676458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.07246835" y3="0.24975269" z3="12.77936686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52953885" y3="-1.10667622" z3="11.70270906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44437174" y3="0.41438453" z3="11.6266337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50906725" y3="0.51157214" z3="10.68476048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61101974" y3="1.6109049" z3="10.78006427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51969226" y3="0.09419108" z3="10.85592612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07606089" y3="0.14853981" z3="9.25480419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13758849" y3="-0.9361669" z3="9.19359329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91042904" y3="0.3314584" z3="8.5545857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12687536" y3="0.94511363" z3="8.77173842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15373553" y3="1.07758562" z3="9.42006161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91356145" y3="1.6462613" z3="7.92771171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6977,-1.5674,10.7632;-3.3898,-.637,10.2567;-3.4507,-1.4696,11.8364;-4.7964,-1.6708,10.6754;-2.9834,-2.7626,10.1422;-3.2478,-3.6962,10.6782;-1.8909,-2.6387,10.2314;-3.3048,-2.963,8.6613;-4.3897,-3.15,8.5406;-2.7476,-3.8387,8.2847;-1.7083,-1.6921,7.4404;-.2153,-.3057,5.972;.5716,-.9141,6.4565;.1238,.7533,6.0324;-.2659,-.6873,4.4794;.7155,-.4687,4.0058;-1.0086,-.0403,3.9722;-.6186,-2.1568,4.2477;-1.6411,-2.3377,4.6264;.0386,-2.782,4.8788;-.5184,-2.6219,2.7921;-.7154,-3.71,2.7509;.5205,-2.4856,2.4311;-1.4766,-1.9113,1.8358;-2.5204,-2.0052,2.1876;-1.2502,-.8333,1.7606;-1.4218,-2.3367,.8168;-.8747,-2.5542,7.7632;-1.4933,-.5056,6.7317;-2.376,.0772,6.4482;-3.0259,-1.8386,7.874;-.4372,-.0069,11.7668;-.0725,.2498,12.7794;-.5295,-1.1067,11.7027;-1.4444,.4144,11.6266;.5091,.5116,10.6848;.611,1.6109,10.7801;1.5197,.0942,10.8559;.0761,.1485,9.2548;-.1376,-.9362,9.1936;.9104,.3315,8.5546;-1.1269,.9451,8.7717;-2.1537,1.0776,9.4201;-.9136,1.6463,7.9277;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605320368303</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">0.000795749646 0.000205253332 0.023720155716 0.008787482131</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="126">-0.003931252 -0.000009271 0.000103116 0.000219208 0.000296562 0.000628755 0.001529238 0.002027694 0.002208277 0.002512416 0.003084513 0.004042422 0.004676867 0.005459053 0.006494482 0.007183982 0.007786674 0.008720822 0.010914602 0.011830195 0.011967200 0.013613903 0.017558416 0.019495386 0.021767059 0.024709943 0.027373166 0.029255662 0.032129721 0.034372468 0.036828232 0.040022153 0.040452321 0.043370326 0.046276024 0.046594686 0.049037215 0.051902311 0.052365949 0.053852905 0.055432103 0.058136709 0.058894327 0.059588501 0.064791760 0.067347450 0.069456317 0.071849100 0.072877051 0.076885489 0.077653689 0.079666722 0.080683980 0.082468590 0.087731100 0.091771250 0.093947670 0.099539070 0.100815655 0.106483167 0.109335154 0.111906882 0.114028273 0.115388357 0.120933592 0.130022654 0.135543039 0.138427421 0.144967272 0.150903436 0.151668295 0.163007098 0.169211267 0.172483392 0.176955244 0.180988696 0.189596926 0.191355596 0.197697416 0.211050504 0.224027982 0.227623366 0.250066924 0.252858836 0.266052157 0.293588472 0.311704147 0.342855527 0.413584122 0.419925616 0.431797456 0.478523578 0.533512939 0.546791573 0.593066575 0.616110819 0.662461457 0.681511322 0.737998743 0.751723269 0.755669442 0.761840917 0.771292178 0.779068017 0.787793247 0.797567128 0.805793063 0.812789153 0.815557052 0.821701379 0.828882005 0.847542821 0.850892635 0.864725586 0.865517165 0.892731640 0.899318371 0.901005792 0.905670399 0.919566122 0.933815975 0.938904461 0.957268807 0.981369956 1.527076502 1.591312302</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="-3.69886" y3="-1.57583333" z3="10.76271216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.39056391" y3="-0.64196577" z3="10.26200132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44979162" y3="-1.48588246" z3="11.83602506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79855566" y3="-1.67864148" z3="10.67639534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98571511" y3="-2.76752116" z3="10.13165207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24886092" y3="-3.70608181" z3="10.66152481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89195248" y3="-2.64390465" z3="10.21851542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31135568" y3="-2.95657605" z3="8.6506005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39713276" y3="-3.13889499" z3="8.53139885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75829007" y3="-3.83137425" z3="8.26635407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71330612" y3="-1.6806068" z3="7.43796132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21818554" y3="-0.29378919" z3="5.97395837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56843504" y3="-0.89977241" z3="6.46025526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12043301" y3="0.7648443" z3="6.02988461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26854356" y3="-0.6836583" z3="4.48345491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7135315" y3="-0.47023458" z3="4.00917604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0093296" y3="-0.03798535" z3="3.97198373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62427814" y3="-2.15365267" z3="4.26044372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64876208" y3="-2.32869161" z3="4.63568665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02735386" y3="-2.77651326" z3="4.89877568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51900126" y3="-2.63010835" z3="2.80885238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72092029" y3="-3.7177737" z3="2.77459867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52217356" y3="-2.50152803" z3="2.45219745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4691082" y3="-1.9220209" z3="1.84287652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5153674" y3="-2.00949419" z3="2.18825847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23796956" y3="-0.84576095" z3="1.76436997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.40940925" y3="-2.35276489" z3="0.82673114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88073646" y3="-2.54516581" z3="7.75678249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49565834" y3="-0.49077622" z3="6.73530016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37767657" y3="0.09326296" z3="6.45189697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03077964" y3="-1.82758666" z3="7.87007867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.4250041" y3="-0.01690144" z3="11.75987051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0602435" y3="0.23846809" z3="12.77244228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.50966097" y3="-1.11632065" z3="11.69169788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43636552" y3="0.39694294" z3="11.624277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51413682" y3="0.51342595" z3="10.67815138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60659236" y3="1.61309046" z3="10.77678862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52964344" y3="0.10412709" z3="10.84458521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07887346" y3="0.15310777" z3="9.24931621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.12904263" y3="-0.93208059" z3="9.18593697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90893406" y3="0.34112383" z3="8.54756267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13040652" y3="0.94580433" z3="8.77237003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15651185" y3="1.06944457" z3="9.42478482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92112354" y3="1.65560751" z3="7.93388649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6989,-1.5758,10.7627;-3.3906,-.642,10.262;-3.4498,-1.4859,11.836;-4.7986,-1.6786,10.6764;-2.9857,-2.7675,10.1317;-3.2489,-3.7061,10.6615;-1.892,-2.6439,10.2185;-3.3114,-2.9566,8.6506;-4.3971,-3.1389,8.5314;-2.7583,-3.8314,8.2664;-1.7133,-1.6806,7.438;-.2182,-.2938,5.974;.5684,-.8998,6.4603;.1204,.7648,6.0299;-.2685,-.6837,4.4835;.7135,-.4702,4.0092;-1.0093,-.038,3.972;-.6243,-2.1537,4.2604;-1.6488,-2.3287,4.6357;.0274,-2.7765,4.8988;-.519,-2.6301,2.8089;-.7209,-3.7178,2.7746;.5222,-2.5015,2.4522;-1.4691,-1.922,1.8429;-2.5154,-2.0095,2.1883;-1.238,-.8458,1.7644;-1.4094,-2.3528,.8267;-.8807,-2.5452,7.7568;-1.4957,-.4908,6.7353;-2.3777,.0933,6.4519;-3.0308,-1.8276,7.8701;-.425,-.0169,11.7599;-.0602,.2385,12.7724;-.5097,-1.1163,11.6917;-1.4364,.3969,11.6243;.5141,.5134,10.6782;.6066,1.6131,10.7768;1.5296,.1041,10.8446;.0789,.1531,9.2493;-.129,-.9321,9.1859;.9089,.3411,8.5476;-1.1304,.9458,8.7724;-2.1565,1.0694,9.4248;-.9211,1.6556,7.9339;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605317491516</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">0.001114639573 0.000227224518 0.038863407003 0.008703882632</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="126">-0.003359997 -0.000524339 0.000018252 0.000150234 0.000352975 0.000640894 0.001519232 0.002067215 0.002207141 0.002646949 0.003112313 0.004113950 0.004684291 0.005472356 0.006489520 0.007183965 0.007706167 0.008698257 0.010915572 0.011833582 0.011962963 0.013600902 0.017645776 0.019491574 0.021779628 0.024714037 0.027375095 0.029262721 0.032132472 0.034394997 0.036831528 0.040037285 0.040457717 0.043373004 0.046278978 0.046595695 0.049033529 0.051902032 0.052366313 0.053844518 0.055431328 0.058169032 0.058904517 0.059589947 0.064781816 0.067350157 0.069456551 0.071898689 0.072882212 0.076889246 0.077651653 0.079656142 0.080665304 0.082471718 0.087775973 0.091773101 0.093944266 0.099546327 0.100819630 0.106483176 0.109340630 0.111912508 0.114027949 0.115396595 0.120926543 0.130023511 0.135545243 0.138435851 0.144987785 0.150931432 0.151674277 0.163016111 0.169213640 0.172483152 0.176950473 0.181084893 0.189598326 0.191419774 0.197744406 0.211057412 0.224042371 0.227676148 0.250089612 0.252923560 0.266042018 0.293609960 0.311734485 0.342875099 0.413607974 0.419925831 0.431844660 0.478540722 0.533617805 0.546801643 0.593099216 0.616150604 0.662476806 0.681658444 0.738009112 0.751735769 0.755675699 0.761849152 0.771292813 0.779074461 0.787801201 0.797567578 0.805805569 0.812800135 0.815556988 0.821708153 0.829038207 0.847573126 0.850898077 0.864712696 0.865528161 0.892741323 0.899385313 0.901007509 0.905669430 0.919579689 0.933831806 0.939006561 0.957316462 0.981423079 1.527196148 1.591368701</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="-3.68646498" y3="-1.57981168" z3="10.77193213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37728771" y3="-0.64658853" z3="10.2714648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43164015" y3="-1.49355085" z3="11.84437765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78612254" y3="-1.67629351" z3="10.69118963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98318661" y3="-2.77274467" z3="10.13508218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2507648" y3="-3.70969854" z3="10.66292986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88979074" y3="-2.65726127" z3="10.21921332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31381631" y3="-2.95689436" z3="8.65408258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.400488" y3="-3.13698225" z3="8.53729919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76309977" y3="-3.83215459" z3="8.26595358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71744166" y3="-1.68020023" z3="7.44028544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22541473" y3="-0.29215527" z3="5.97284457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56402856" y3="-0.89612006" z3="6.45874332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11147017" y3="0.76785704" z3="6.02644649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27845368" y3="-0.68347466" z3="4.48309732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70461967" y3="-0.47391097" z3="4.00883863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01667665" y3="-0.03555711" z3="3.97041516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64013818" y3="-2.15243194" z3="4.26154672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67031693" y3="-2.3203928" z3="4.62511474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00060534" y3="-2.77666235" z3="4.91038112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51976377" y3="-2.63427634" z3="2.81302948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73428612" y3="-3.7194836" z3="2.77932767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52824076" y3="-2.51952252" z3="2.47098706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.4469681" y3="-1.91755248" z3="1.83034379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49896686" y3="-1.98771073" z3="2.16368534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19910615" y3="-0.84431478" z3="1.74627941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38111537" y3="-2.35693441" z3="0.81740521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88491949" y3="-2.54546623" z3="7.7559466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50085787" y3="-0.48929565" z3="6.73800824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38396723" y3="0.09336371" z3="6.45534781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03362762" y3="-1.82656778" z3="7.87549735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42627985" y3="-0.01400698" z3="11.75898711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05829751" y3="0.23890481" z3="12.77140111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.5127385" y3="-1.114275" z3="11.68919793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43596688" y3="0.40261867" z3="11.62509485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51288933" y3="0.51491671" z3="10.67586516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60819876" y3="1.61423068" z3="10.77450463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5264503" y3="0.10381927" z3="10.84254312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0774565" y3="0.15414062" z3="9.24586318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.12884508" y3="-0.93187448" z3="9.18159557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90905256" y3="0.34619958" z3="8.54398383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13285344" y3="0.94418895" z3="8.76945882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15810037" y3="1.06747066" z3="9.42322287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92361009" y3="1.65584324" z3="7.93355831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6865,-1.5798,10.7719;-3.3773,-.6466,10.2715;-3.4316,-1.4936,11.8444;-4.7861,-1.6763,10.6912;-2.9832,-2.7727,10.1351;-3.2508,-3.7097,10.6629;-1.8898,-2.6573,10.2192;-3.3138,-2.9569,8.6541;-4.4005,-3.137,8.5373;-2.7631,-3.8322,8.266;-1.7174,-1.6802,7.4403;-.2254,-.2922,5.9728;.564,-.8961,6.4587;.1115,.7679,6.0264;-.2785,-.6835,4.4831;.7046,-.4739,4.0088;-1.0167,-.0356,3.9704;-.6401,-2.1524,4.2615;-1.6703,-2.3204,4.6251;.0006,-2.7767,4.9104;-.5198,-2.6343,2.813;-.7343,-3.7195,2.7793;.5282,-2.5195,2.471;-1.447,-1.9176,1.8303;-2.499,-1.9877,2.1637;-1.1991,-.8443,1.7463;-1.3811,-2.3569,.8174;-.8849,-2.5455,7.7559;-1.5009,-.4893,6.738;-2.384,.0934,6.4553;-3.0336,-1.8266,7.8755;-.4263,-.014,11.759;-.0583,.2389,12.7714;-.5127,-1.1143,11.6892;-1.436,.4026,11.6251;.5129,.5149,10.6759;.6082,1.6142,10.7745;1.5265,.1038,10.8425;.0775,.1541,9.2459;-.1288,-.9319,9.1816;.9091,.3462,8.544;-1.1329,.9442,8.7695;-2.1581,1.0675,9.4232;-.9236,1.6558,7.9336;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605313571824</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">0.001639241805 0.000377804374 0.029737701905 0.008721548419</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="126">-0.003390856 -0.000565597 0.000074788 0.000161770 0.000340140 0.000648895 0.001485242 0.002063601 0.002212338 0.002771071 0.003130178 0.004276746 0.004691851 0.005414460 0.006461375 0.007189640 0.007680754 0.008696282 0.010934846 0.011848528 0.012032810 0.013611960 0.017764994 0.019491970 0.021790762 0.024717658 0.027380831 0.029263708 0.032133255 0.034424931 0.036834631 0.040093988 0.040466377 0.043394788 0.046281762 0.046597430 0.049042036 0.051904230 0.052366102 0.053842992 0.055431096 0.058196596 0.058921910 0.059591468 0.064848027 0.067352019 0.069464207 0.071986856 0.072890032 0.076888715 0.077652641 0.079661549 0.080679944 0.082503351 0.087722597 0.091771845 0.093970168 0.099563946 0.100827633 0.106481950 0.109355308 0.111944084 0.114027746 0.115403994 0.120929495 0.130025143 0.135545521 0.138454256 0.145020556 0.150954454 0.151758011 0.163017196 0.169224874 0.172483743 0.176952008 0.181249697 0.189673050 0.191519411 0.197860089 0.211085960 0.224088824 0.227931762 0.250091534 0.253014976 0.266112534 0.293630093 0.311742992 0.342999196 0.413606078 0.419961999 0.431944174 0.478594001 0.533897309 0.546816549 0.593132395 0.616297080 0.662497430 0.681783287 0.738034791 0.751750611 0.755707614 0.761841740 0.771299841 0.779081726 0.787839938 0.797570024 0.805843446 0.812948353 0.815594020 0.821726144 0.829145291 0.847611095 0.850918167 0.864764361 0.865544411 0.892752242 0.899463728 0.901008387 0.905691030 0.919620456 0.933870149 0.939440943 0.957446264 0.981426447 1.527239119 1.591400772</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="-3.68975296" y3="-1.58200647" z3="10.77498103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3843836" y3="-0.64657073" z3="10.27512545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.4322671" y3="-1.49613387" z3="11.84688391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79028284" y3="-1.68380724" z3="10.6962867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98184669" y3="-2.77210158" z3="10.13440054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24297763" y3="-3.71325189" z3="10.66126639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88715994" y3="-2.64992361" z3="10.21590434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31615435" y3="-2.953436" z3="8.65413718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4030172" y3="-3.13131886" z3="8.53978143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76860463" y3="-3.82832978" z3="8.26272345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72108978" y3="-1.67441766" z3="7.44047817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23152507" y3="-0.28556266" z3="5.97286393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55844285" y3="-0.88804815" z3="6.45796942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10505394" y3="0.77392196" z3="6.02343056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28674625" y3="-0.68199218" z3="4.4842978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69671581" y3="-0.47767138" z3="4.00869108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0230146" y3="-0.03351395" z3="3.96958311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.65372371" y3="-2.15065941" z3="4.26806878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68843688" y3="-2.31091823" z3="4.6220997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.02387322" y3="-2.77469223" z3="4.92699304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52120491" y3="-2.64190854" z3="2.82335157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.74603775" y3="-3.72516095" z3="2.79267772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53201885" y3="-2.53941636" z3="2.49327723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42903704" y3="-1.92012122" z3="1.82702265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.48611289" y3="-1.97900556" z3="2.1460101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.16936845" y3="-0.85095547" z3="1.74608435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.35351453" y3="-2.36032412" z3="0.81634878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88730644" y3="-2.53976944" z3="7.75385375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50521098" y3="-0.48192048" z3="6.74100802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38871112" y3="0.1012806" z3="6.46038103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03652319" y3="-1.82175869" z3="7.87675814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41609022" y3="-0.02821205" z3="11.7511695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05323642" y3="0.22641371" z3="12.76512319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.49023113" y3="-1.12807069" z3="11.6785301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43225786" y3="0.37577114" z3="11.61843999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51630094" y3="0.51646244" z3="10.67076528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.59683248" y3="1.6172293" z3="10.77464042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53676624" y3="0.1174732" z3="10.83380632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.08203071" y3="0.15858722" z3="9.24125141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.11817334" y3="-0.92784702" z3="9.17402767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90924787" y3="0.3554254" z3="8.5392058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1343992" y3="0.94410262" z3="8.76972864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15820799" y3="1.060576" z3="9.42807282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93129159" y3="1.66097018" z3="7.93487232">
                           <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 a3" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6898,-1.582,10.775;-3.3844,-.6466,10.2751;-3.4323,-1.4961,11.8469;-4.7903,-1.6838,10.6963;-2.9818,-2.7721,10.1344;-3.243,-3.7133,10.6613;-1.8872,-2.6499,10.2159;-3.3162,-2.9534,8.6541;-4.403,-3.1313,8.5398;-2.7686,-3.8283,8.2627;-1.7211,-1.6744,7.4405;-.2315,-.2856,5.9729;.5584,-.888,6.458;.1051,.7739,6.0234;-.2867,-.682,4.4843;.6967,-.4777,4.0087;-1.023,-.0335,3.9696;-.6537,-2.1507,4.2681;-1.6884,-2.3109,4.6221;-.0239,-2.7747,4.927;-.5212,-2.6419,2.8234;-.746,-3.7252,2.7927;.532,-2.5394,2.4933;-1.429,-1.9201,1.827;-2.4861,-1.979,2.146;-1.1694,-.851,1.7461;-1.3535,-2.3603,.8163;-.8873,-2.5398,7.7539;-1.5052,-.4819,6.741;-2.3887,.1013,6.4604;-3.0365,-1.8218,7.8768;-.4161,-.0282,11.7512;-.0532,.2264,12.7651;-.4902,-1.1281,11.6785;-1.4323,.3758,11.6184;.5163,.5165,10.6708;.5968,1.6172,10.7746;1.5368,.1175,10.8338;.082,.1586,9.2413;-.1182,-.9278,9.174;.9092,.3554,8.5392;-1.1344,.9441,8.7697;-2.1582,1.0606,9.4281;-.9313,1.661,7.9349;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605306954994</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">0.001417983806 0.000389907837 0.027672404300 0.008632793159</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="126">-0.003392254 -0.000239415 0.000074195 0.000169405 0.000360099 0.000648990 0.001489296 0.002065115 0.002216283 0.002793045 0.003126029 0.004319843 0.004693373 0.005415416 0.006461829 0.007198951 0.007679085 0.008703731 0.010942886 0.011853117 0.012058063 0.013623773 0.017835937 0.019491600 0.021795274 0.024718164 0.027382160 0.029263191 0.032135837 0.034453740 0.036839366 0.040126460 0.040472104 0.043419541 0.046282170 0.046599883 0.049051124 0.051905104 0.052364961 0.053841132 0.055438745 0.058196545 0.058926651 0.059593146 0.064843857 0.067351660 0.069473516 0.072057071 0.072911130 0.076892575 0.077653009 0.079660939 0.080680910 0.082522016 0.087744844 0.091773536 0.093975821 0.099578415 0.100829870 0.106482210 0.109369873 0.111969482 0.114027570 0.115406244 0.120935153 0.130029909 0.135545690 0.138473956 0.145076525 0.150985280 0.151814281 0.163019344 0.169230979 0.172487280 0.176951734 0.181396156 0.189691251 0.191574452 0.197926494 0.211107028 0.224095686 0.227994649 0.250082902 0.253071932 0.266088911 0.293703623 0.311744413 0.343051740 0.413608207 0.419964436 0.432008790 0.478636527 0.534069139 0.546821137 0.593148921 0.616398149 0.662513924 0.681925787 0.738059101 0.751768535 0.755730129 0.761845965 0.771304223 0.779085297 0.787852567 0.797579063 0.805882009 0.812998315 0.815593706 0.821735056 0.829311463 0.847633774 0.850968156 0.864761457 0.865548718 0.892759064 0.899463882 0.901008751 0.905697054 0.919690737 0.933907619 0.939664149 0.957571218 0.981430828 1.527239225 1.591483437</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="-3.68782944" y3="-1.5785319" z3="10.77389294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37963699" y3="-0.64509642" z3="10.27248233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43233336" y3="-1.49076614" z3="11.84602472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.788076" y3="-1.67730718" z3="10.69363952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98240759" y3="-2.77167514" z3="10.13758904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24687419" y3="-3.70975828" z3="10.66700844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88811908" y3="-2.65274027" z3="10.22004225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31527724" y3="-2.95740819" z3="8.65747701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.4020841" y3="-3.13656111" z3="8.54281573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76644579" y3="-3.83332287" z3="8.26940933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71963427" y3="-1.68245529" z3="7.44038305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22744578" y3="-0.29476527" z3="5.97360573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56059591" y3="-0.90031747" z3="6.45872133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11074307" y3="0.76430003" z3="6.02894463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27959348" y3="-0.68430133" z3="4.48324105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70362483" y3="-0.47430642" z3="4.00966585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01754664" y3="-0.035792" z3="3.97110111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64093568" y3="-2.15295749" z3="4.25939865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67166675" y3="-2.32125504" z3="4.62080389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00184162" y3="-2.77797356" z3="4.90844726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51779419" y3="-2.6331053" z3="2.81042454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73238301" y3="-3.71812525" z3="2.77437901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53077591" y3="-2.5179278" z3="2.47094638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44242877" y3="-1.91455997" z3="1.82753966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49532495" y3="-1.98675593" z3="2.15641083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19514771" y3="-0.84172403" z3="1.74976553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37244218" y3="-2.34886967" z3="0.81343698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88684006" y3="-2.54791492" z3="7.75575128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50322832" y3="-0.49195662" z3="6.73790812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38597939" y3="0.09185357" z3="6.45639722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03550502" y3="-1.82808511" z3="7.87709329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42320996" y3="-0.01225881" z3="11.75839937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05520777" y3="0.24350739" z3="12.76999165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.51024778" y3="-1.11173256" z3="11.69183491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4337849" y3="0.40344355" z3="11.62472775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51439428" y3="0.5148129" z3="10.67355962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60866784" y3="1.61466723" z3="10.77009756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52941152" y3="0.10460923" z3="10.83889489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07633753" y3="0.15212837" z3="9.24583956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.1309399" y3="-0.93339217" z3="9.18412213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.9054138" y3="0.34070561" z3="8.54234095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13440538" y3="0.94288105" z3="8.7703007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15934873" y3="1.06604527" z3="9.42469491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92636044" y3="1.65413264" z3="7.93282216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6878,-1.5785,10.7739;-3.3796,-.6451,10.2725;-3.4323,-1.4908,11.846;-4.7881,-1.6773,10.6936;-2.9824,-2.7717,10.1376;-3.2469,-3.7098,10.667;-1.8881,-2.6527,10.22;-3.3153,-2.9574,8.6575;-4.4021,-3.1366,8.5428;-2.7664,-3.8333,8.2694;-1.7196,-1.6825,7.4404;-.2274,-.2948,5.9736;.5606,-.9003,6.4587;.1107,.7643,6.0289;-.2796,-.6843,4.4832;.7036,-.4743,4.0097;-1.0175,-.0358,3.9711;-.6409,-2.153,4.2594;-1.6717,-2.3213,4.6208;-.0018,-2.778,4.9084;-.5178,-2.6331,2.8104;-.7324,-3.7181,2.7744;.5308,-2.5179,2.4709;-1.4424,-1.9146,1.8275;-2.4953,-1.9868,2.1564;-1.1951,-.8417,1.7498;-1.3724,-2.3489,.8134;-.8868,-2.5479,7.7558;-1.5032,-.492,6.7379;-2.386,.0919,6.4564;-3.0355,-1.8281,7.8771;-.4232,-.0123,11.7584;-.0552,.2435,12.77;-.5102,-1.1117,11.6918;-1.4338,.4034,11.6247;.5144,.5148,10.6736;.6087,1.6147,10.7701;1.5294,.1046,10.8389;.0763,.1521,9.2458;-.1309,-.9334,9.1841;.9054,.3407,8.5423;-1.1344,.9429,8.7703;-2.1593,1.066,9.4247;-.9264,1.6541,7.9328;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605321242004</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">0.000354045568 0.000084154072 0.034808794386 0.008696561935</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="126">-0.003443960 -0.001051899 0.000097241 0.000208206 0.000319399 0.000645358 0.001482907 0.002060028 0.002221306 0.002782822 0.003101394 0.004330283 0.004697306 0.005367672 0.006456593 0.007217870 0.007650735 0.008697163 0.010939657 0.011851472 0.012062604 0.013646330 0.017904225 0.019492588 0.021790857 0.024719626 0.027380601 0.029258182 0.032138196 0.034482446 0.036847447 0.040166174 0.040481669 0.043450327 0.046285739 0.046603198 0.049062162 0.051905629 0.052367277 0.053853807 0.055439794 0.058214880 0.058940979 0.059596455 0.064900578 0.067352008 0.069491639 0.072134223 0.072917205 0.076893810 0.077654361 0.079661985 0.080692052 0.082556716 0.087789144 0.091783408 0.094005374 0.099597915 0.100836200 0.106483045 0.109377920 0.111990218 0.114027800 0.115411726 0.120944143 0.130032643 0.135545624 0.138503174 0.145165137 0.151054443 0.151936840 0.163021594 0.169238756 0.172487121 0.176957513 0.181578193 0.189732172 0.191700251 0.198049566 0.211110803 0.224111725 0.228109735 0.250104817 0.253235012 0.266168144 0.293754965 0.311744369 0.343119389 0.413627287 0.420002741 0.432094772 0.478667762 0.534391676 0.546837849 0.593166813 0.616495544 0.662524315 0.682068854 0.738085140 0.751787616 0.755751672 0.761846334 0.771308794 0.779093378 0.787869383 0.797586689 0.805910193 0.813134109 0.815610150 0.821742848 0.829500886 0.847662121 0.850990510 0.864820988 0.865589410 0.892771998 0.899475456 0.901010525 0.905699516 0.919739819 0.933949266 0.939856114 0.957733194 0.981454077 1.527241322 1.591558313</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="-3.68606123" y3="-1.57577698" z3="10.78335241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37916416" y3="-0.64368125" z3="10.27908437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42758501" y3="-1.48597214" z3="11.85454224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78620379" y3="-1.67376633" z3="10.7069585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.9836671" y3="-2.77006549" z3="10.14739184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24772802" y3="-3.70583913" z3="10.67952096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88983541" y3="-2.65308471" z3="10.22613047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.32127846" y3="-2.95967111" z3="8.66870096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40880129" y3="-3.13867164" z3="8.55795457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77367207" y3="-3.83728156" z3="8.28153005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72841784" y3="-1.6896245" z3="7.44337086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2362448" y3="-0.30171569" z3="5.97641224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55086194" y3="-0.910038" z3="6.46033646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10354422" y3="0.7570173" z3="6.03531539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.28725456" y3="-0.68565033" z3="4.48489731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.69699156" y3="-0.47467466" z3="4.01381932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.02357739" y3="-0.03471744" z3="3.9735991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64890061" y3="-2.15315374" z3="4.25458135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68355993" y3="-2.32138434" z3="4.60502901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01696991" y3="-2.78031327" z3="4.90873048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51075177" y3="-2.62902276" z3="2.80572246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72816153" y3="-3.71328675" z3="2.76334974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.54209516" y3="-2.51588954" z3="2.4791627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42105014" y3="-1.90450796" z3="1.81333075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.47863574" y3="-1.97663893" z3="2.1270385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.17176682" y3="-0.83058647" z3="1.7426281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.33763339" y3="-2.33555484" z3="0.79789581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.89624562" y3="-2.55665963" z3="7.75557983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51220379" y3="-0.49884319" z3="6.74055615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.394744" y3="0.08562214" z3="6.46028345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.04298796" y3="-1.83273513" z3="7.88435964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41387095" y3="-0.00663531" z3="11.75791268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.04187472" y3="0.25539392" z3="12.76646903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.497025" y3="-1.10753364" z3="11.69737951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4251116" y3="0.40634548" z3="11.62568024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51742657" y3="0.516706" z3="10.665382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61250746" y3="1.61659427" z3="10.75701039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53264515" y3="0.10705454" z3="10.82750739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07182768" y3="0.14742371" z3="9.24151206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13498221" y3="-0.9389833" z3="9.18447035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89872043" y3="0.33573754" z3="8.53315897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14089062" y3="0.93607963" z3="8.76821549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16397667" y3="1.05988441" z3="9.42518643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93414783" y3="1.64748813" z3="7.93132329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6861,-1.5758,10.7834;-3.3792,-.6437,10.2791;-3.4276,-1.486,11.8545;-4.7862,-1.6738,10.707;-2.9837,-2.7701,10.1474;-3.2477,-3.7058,10.6795;-1.8898,-2.6531,10.2261;-3.3213,-2.9597,8.6687;-4.4088,-3.1387,8.558;-2.7737,-3.8373,8.2815;-1.7284,-1.6896,7.4434;-.2362,-.3017,5.9764;.5509,-.91,6.4603;.1035,.757,6.0353;-.2873,-.6857,4.4849;.697,-.4747,4.0138;-1.0236,-.0347,3.9736;-.6489,-2.1532,4.2546;-1.6836,-2.3214,4.605;-.017,-2.7803,4.9087;-.5108,-2.629,2.8057;-.7282,-3.7133,2.7633;.5421,-2.5159,2.4792;-1.4211,-1.9045,1.8133;-2.4786,-1.9766,2.127;-1.1718,-.8306,1.7426;-1.3376,-2.3356,.7979;-.8962,-2.5567,7.7556;-1.5122,-.4988,6.7406;-2.3947,.0856,6.4603;-3.043,-1.8327,7.8844;-.4139,-.0066,11.7579;-.0419,.2554,12.7665;-.497,-1.1075,11.6974;-1.4251,.4063,11.6257;.5174,.5167,10.6654;.6125,1.6166,10.757;1.5326,.1071,10.8275;.0718,.1474,9.2415;-.135,-.939,9.1845;.8987,.3357,8.5332;-1.1409,.9361,8.7682;-2.164,1.0599,9.4252;-.9341,1.6475,7.9313;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605314281045</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">0.001456598910 0.000348884661 0.032633028652 0.008714228445</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="126">-0.003441919 0.000002576 0.000112548 0.000210697 0.000408321 0.000644546 0.001484443 0.002060063 0.002228079 0.002783307 0.003101241 0.004331209 0.004697202 0.005368046 0.006456954 0.007218229 0.007649963 0.008705034 0.010940561 0.011853216 0.012065349 0.013651341 0.017928518 0.019494187 0.021791585 0.024720256 0.027380585 0.029258059 0.032142022 0.034486641 0.036848714 0.040178258 0.040486311 0.043471855 0.046285961 0.046608124 0.049075535 0.051905834 0.052366671 0.053855166 0.055440526 0.058216637 0.058953938 0.059597851 0.064904198 0.067353251 0.069502480 0.072205141 0.072931735 0.076892797 0.077655165 0.079661707 0.080695274 0.082567390 0.087807495 0.091783034 0.094010605 0.099603999 0.100836772 0.106483185 0.109391093 0.112003878 0.114029664 0.115412058 0.120950608 0.130034211 0.135545749 0.138509456 0.145183184 0.151074271 0.151971137 0.163023783 0.169240799 0.172487575 0.176957611 0.181648976 0.189755411 0.191706112 0.198087655 0.211112203 0.224118889 0.228174637 0.250113134 0.253269402 0.266181059 0.293757059 0.311747227 0.343171345 0.413629130 0.420005499 0.432182287 0.478705195 0.534430803 0.546849273 0.593189072 0.616618414 0.662535382 0.682151723 0.738092794 0.751790469 0.755764172 0.761880877 0.771315285 0.779095168 0.787892803 0.797593836 0.805937252 0.813137999 0.815613366 0.821747281 0.829722745 0.847675576 0.851042803 0.864826675 0.865595480 0.892776690 0.899537809 0.901010702 0.905701059 0.919758967 0.933989805 0.940107253 0.957876370 0.981458249 1.527242293 1.591612746</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="-3.68078574" y3="-1.57324478" z3="10.78460921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37677343" y3="-0.64194117" z3="10.27693133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42184365" y3="-1.47835095" z3="11.85525582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78094078" y3="-1.67492274" z3="10.70878882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97495537" y3="-2.76844494" z3="10.1530341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23516268" y3="-3.70359961" z3="10.68966135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88067361" y3="-2.64632263" z3="10.23079492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31238671" y3="-2.9646252" z3="8.67520816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39922173" y3="-3.14702026" z3="8.56577602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76304923" y3="-3.84208974" z3="8.29155197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72271326" y3="-1.69568598" z3="7.44306547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.23365144" y3="-0.3101224" z3="5.97077495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55194191" y3="-0.92052578" z3="6.45386883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.10726189" y3="0.74794774" z3="6.03317471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.2828215" y3="-0.68941187" z3="4.47769805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7024741" y3="-0.47889579" z3="4.00845218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01736035" y3="-0.03520649" z3="3.96766374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64780115" y3="-2.15562702" z3="4.24268228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.68183541" y3="-2.32245975" z3="4.59547655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01554693" y3="-2.78674397" z3="4.89293868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51477027" y3="-2.62715372" z3="2.79159107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73463616" y3="-3.71115465" z3="2.74652665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53756906" y3="-2.5149965" z3="2.46213847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.42688013" y3="-1.89669226" z3="1.80522846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.4834121" y3="-1.96688023" z3="2.12354659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.1737517" y3="-0.82415083" z3="1.73805264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.34911226" y3="-2.32322098" z3="0.78853028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88806684" y3="-2.5586443" z3="7.76186797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.51092305" y3="-0.5108005" z3="6.73124117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3939462" y3="0.07391844" z3="6.45263607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03756532" y3="-1.84026759" z3="7.88633482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42925489" y3="0.00549352" z3="11.76677371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05612265" y3="0.26538304" z3="12.77543394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52965803" y3="-1.09355122" z3="11.70893626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43583059" y3="0.43151014" z3="11.63244069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51247249" y3="0.51263069" z3="10.67613638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62051798" y3="1.61207464" z3="10.76471196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52285504" y3="0.09137886" z3="10.84196057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06736032" y3="0.14512169" z3="9.25159109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15069664" y3="-0.93862574" z3="9.19622732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89583938" y3="0.32041634" z3="8.54472574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13640569" y3="0.94425475" z3="8.77449489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16078496" y3="1.07728144" z3="9.42665741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92731351" y3="1.64335565" z3="7.92718158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6808,-1.5732,10.7846;-3.3768,-.6419,10.2769;-3.4218,-1.4784,11.8553;-4.7809,-1.6749,10.7088;-2.975,-2.7684,10.153;-3.2352,-3.7036,10.6897;-1.8807,-2.6463,10.2308;-3.3124,-2.9646,8.6752;-4.3992,-3.147,8.5658;-2.763,-3.8421,8.2916;-1.7227,-1.6957,7.4431;-.2337,-.3101,5.9708;.5519,-.9205,6.4539;.1073,.7479,6.0332;-.2828,-.6894,4.4777;.7025,-.4789,4.0085;-1.0174,-.0352,3.9677;-.6478,-2.1556,4.2427;-1.6818,-2.3225,4.5955;-.0155,-2.7867,4.8929;-.5148,-2.6272,2.7916;-.7346,-3.7112,2.7465;.5376,-2.515,2.4621;-1.4269,-1.8967,1.8052;-2.4834,-1.9669,2.1235;-1.1738,-.8242,1.7381;-1.3491,-2.3232,.7885;-.8881,-2.5586,7.7619;-1.5109,-.5108,6.7312;-2.3939,.0739,6.4526;-3.0376,-1.8403,7.8863;-.4293,.0055,11.7668;-.0561,.2654,12.7754;-.5297,-1.0936,11.7089;-1.4358,.4315,11.6324;.5125,.5126,10.6761;.6205,1.6121,10.7647;1.5229,.0914,10.842;.0674,.1451,9.2516;-.1507,-.9386,9.1962;.8958,.3204,8.5447;-1.1364,.9443,8.7745;-2.1608,1.0773,9.4267;-.9273,1.6434,7.9272;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605320317522</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">0.000828219908 0.000177127346 0.036346796978 0.008701425145</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="126">-0.003453481 -0.000084431 0.000136403 0.000201955 0.000400262 0.000662963 0.001485373 0.002060128 0.002228013 0.002785154 0.003103076 0.004331093 0.004697071 0.005366122 0.006460358 0.007218440 0.007649720 0.008712705 0.010944423 0.011852865 0.012069961 0.013650221 0.017940993 0.019494826 0.021791842 0.024720869 0.027380262 0.029258985 0.032145735 0.034489874 0.036849499 0.040183413 0.040487250 0.043484959 0.046285925 0.046611307 0.049082514 0.051906325 0.052367352 0.053857171 0.055443253 0.058217286 0.058952885 0.059597195 0.064909666 0.067353132 0.069503865 0.072236787 0.072949143 0.076896259 0.077655952 0.079662538 0.080699129 0.082572031 0.087824689 0.091784771 0.094011026 0.099604911 0.100836825 0.106483994 0.109400940 0.112013760 0.114033779 0.115412047 0.120957519 0.130034931 0.135545883 0.138509616 0.145185464 0.151092717 0.151992519 0.163025816 0.169240841 0.172488377 0.176960723 0.181673414 0.189761439 0.191714267 0.198087747 0.211117233 0.224135931 0.228176470 0.250124088 0.253265504 0.266214637 0.293762853 0.311747397 0.343169044 0.413630040 0.420004613 0.432189406 0.478708923 0.534448040 0.546849632 0.593190868 0.616633665 0.662536714 0.682161390 0.738094222 0.751790463 0.755764029 0.761902625 0.771315344 0.779095044 0.787892771 0.797596429 0.805938813 0.813138526 0.815618662 0.821747251 0.829795623 0.847677281 0.851060819 0.864835559 0.865602778 0.892777501 0.899545093 0.901013573 0.905701223 0.919763233 0.933993688 0.940139807 0.957941126 0.981455262 1.527244794 1.591629007</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="-3.68212222" y3="-1.5723407" z3="10.77612075">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37540844" y3="-0.64154985" z3="10.26922807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42863603" y3="-1.47664203" z3="11.84806088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78196227" y3="-1.67308131" z3="10.69493925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97454552" y3="-2.7688359" z3="10.14893621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.23799261" y3="-3.70267389" z3="10.68560202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88085065" y3="-2.64844082" z3="10.23078508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30670082" y3="-2.96700679" z3="8.67008229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39294809" y3="-3.1516022" z3="8.55718741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75415919" y3="-3.84405394" z3="8.28936718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71502308" y3="-1.69737562" z3="7.4420078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22346671" y3="-0.3137375" z3="5.97108974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56053543" y3="-0.92574222" z3="6.45484371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11883222" y3="0.74382245" z3="6.03496838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27176101" y3="-0.69112553" z3="4.47742812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71278842" y3="-0.47862033" z3="4.00778051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00761511" y3="-0.03737838" z3="3.96893093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.634639" y3="-2.15718687" z3="4.24089002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66342521" y3="-2.32858888" z3="4.60655436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00832553" y3="-2.78878954" z3="4.87994703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51927942" y3="-2.62312244" z3="2.78664237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73247233" y3="-3.70802267" z3="2.74133858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52700966" y3="-2.50323528" z3="2.44182783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45087727" y3="-1.89697354" z3="1.81564556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50181182" y3="-1.97396944" z3="2.14962267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20644144" y3="-0.82262796" z3="1.74596524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38545906" y3="-2.32249007" z3="0.79702441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88032123" y3="-2.55887006" z3="7.76509621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50244852" y3="-0.51360299" z3="6.72896015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.3849532" y3="0.07010444" z3="6.44686548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03126327" y3="-1.84297481" z3="7.88101406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43961874" y3="0.01276305" z3="11.77172044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.0656237" y3="0.26903479" z3="12.78097876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.54782839" y3="-1.08587319" z3="11.71374515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44146997" y3="0.44770936" z3="11.63542841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50827225" y3="0.51255083" z3="10.68208275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62352899" y3="1.61115674" z3="10.76844894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5147856" y3="0.08449844" z3="10.85251549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06621187" y3="0.14444693" z3="9.25709017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15389124" y3="-0.93948532" z3="9.20224409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89879617" y3="0.31794555" z3="8.55213156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1333017" y3="0.94614928" z3="8.77409797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15992296" y3="1.08336704" z3="9.42141183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9192077" y3="1.64185852" z3="7.92572501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6821,-1.5723,10.7761;-3.3754,-.6415,10.2692;-3.4286,-1.4766,11.8481;-4.782,-1.6731,10.6949;-2.9745,-2.7688,10.1489;-3.238,-3.7027,10.6856;-1.8809,-2.6484,10.2308;-3.3067,-2.967,8.6701;-4.3929,-3.1516,8.5572;-2.7542,-3.8441,8.2894;-1.715,-1.6974,7.442;-.2235,-.3137,5.9711;.5605,-.9257,6.4548;.1188,.7438,6.035;-.2718,-.6911,4.4774;.7128,-.4786,4.0078;-1.0076,-.0374,3.9689;-.6346,-2.1572,4.2409;-1.6634,-2.3286,4.6066;.0083,-2.7888,4.8799;-.5193,-2.6231,2.7866;-.7325,-3.708,2.7413;.527,-2.5032,2.4418;-1.4509,-1.897,1.8156;-2.5018,-1.974,2.1496;-1.2064,-.8226,1.746;-1.3855,-2.3225,.797;-.8803,-2.5589,7.7651;-1.5024,-.5136,6.729;-2.385,.0701,6.4469;-3.0313,-1.843,7.881;-.4396,.0128,11.7717;-.0656,.269,12.781;-.5478,-1.0859,11.7137;-1.4415,.4477,11.6354;.5083,.5126,10.6821;.6235,1.6112,10.7684;1.5148,.0845,10.8525;.0662,.1444,9.2571;-.1539,-.9395,9.2022;.8988,.3179,8.5521;-1.1333,.9461,8.7741;-2.1599,1.0834,9.4214;-.9192,1.6419,7.9257;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605321888963</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">0.001084450952 0.000199607276 0.030616377759 0.008718215510</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="126">-0.003360214 -0.000047227 0.000100153 0.000192051 0.000390066 0.000663614 0.001477665 0.002052466 0.002224574 0.002770179 0.003083915 0.004321007 0.004693883 0.005350586 0.006455627 0.007219423 0.007670309 0.008714864 0.010940913 0.011856566 0.012063996 0.013654519 0.017935981 0.019499189 0.021792659 0.024721049 0.027379705 0.029259333 0.032149037 0.034490204 0.036849573 0.040179691 0.040487135 0.043504191 0.046282963 0.046615261 0.049087275 0.051906558 0.052369364 0.053842510 0.055441071 0.058230388 0.058951806 0.059589842 0.064909379 0.067352331 0.069501340 0.072266189 0.072957568 0.076906342 0.077655266 0.079658399 0.080701434 0.082570322 0.087826934 0.091786412 0.094014090 0.099605409 0.100837478 0.106484549 0.109407184 0.112018446 0.114039425 0.115412024 0.120972196 0.130034599 0.135546074 0.138509970 0.145191774 0.151110417 0.152005469 0.163027495 0.169242830 0.172486773 0.176966698 0.181689885 0.189773984 0.191715682 0.198087985 0.211096764 0.224134701 0.228159484 0.250134236 0.253271029 0.266260770 0.293750292 0.311750964 0.343166142 0.413630126 0.420004823 0.432188063 0.478709702 0.534451434 0.546857358 0.593190690 0.616637208 0.662541040 0.682167079 0.738097061 0.751790328 0.755763526 0.761915247 0.771314029 0.779095464 0.787886610 0.797601903 0.805937486 0.813130126 0.815621017 0.821747547 0.829899093 0.847681634 0.851069928 0.864864179 0.865597880 0.892778445 0.899537350 0.901022019 0.905696872 0.919767983 0.934000916 0.940160776 0.957960999 0.981456717 1.527248859 1.591624492</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="-3.69685112" y3="-1.56595744" z3="10.76718121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3901017" y3="-0.63654469" z3="10.25799215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.45108398" y3="-1.46403215" z3="11.84039159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79558647" y3="-1.67162737" z3="10.67862697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97940292" y3="-2.76229398" z3="10.15086124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24125516" y3="-3.69498689" z3="10.69080563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88651758" y3="-2.63485419" z3="10.23963742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30023567" y3="-2.96921538" z3="8.67066563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.38478368" y3="-3.15898644" z3="8.55087108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.74133087" y3="-3.84539588" z3="8.29771769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70608673" y3="-1.70012234" z3="7.44406284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.21496681" y3="-0.31649494" z3="5.97127726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56969588" y3="-0.92830012" z3="6.45482633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12669203" y3="0.74152853" z3="6.03576463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26419651" y3="-0.69248306" z3="4.47718552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71912475" y3="-0.47719549" z3="4.00612972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00261261" y3="-0.03985988" z3="3.97077457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62442835" y3="-2.15901005" z3="4.23949783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.64901181" y3="-2.33455688" z3="4.61501703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02713386" y3="-2.79040204" z3="4.87031759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.52256213" y3="-2.61993886" z3="2.7823742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72920033" y3="-3.70629323" z3="2.73661193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.51913894" y3="-2.49206766" z3="2.42595564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.47037949" y3="-1.89685383" z3="1.82480394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.5165903" y3="-1.98117344" z3="2.17243722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23287884" y3="-0.82109184" z3="1.75439532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.41607544" y3="-2.31870276" z3="0.8045002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.870681" y3="-2.55892237" z3="7.77230121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49420739" y3="-0.5181027" z3="6.72802016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.37747165" y3="0.06388509" z3="6.44424316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02385248" y3="-1.84752836" z3="7.87884067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.44189916" y3="0.00276055" z3="11.76867796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.077485" y3="0.26135714" z3="12.78090518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.53980459" y3="-1.09609699" z3="11.70811559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44798647" y3="0.42682073" z3="11.62679433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.50757498" y3="0.51358092" z3="10.68676802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61332976" y3="1.61285568" z3="10.7786911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51707462" y3="0.09355541" z3="10.85972127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07390697" y3="0.14890957" z3="9.2577069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14311848" y3="-0.93481961" z3="9.19838393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90722017" y3="0.32574873" z3="8.55724537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1270767" y3="0.94763863" z3="8.77314132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15399292" y3="1.08369988" z3="9.42018958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9155394" y3="1.64095731" z3="7.92194471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6969,-1.566,10.7672;-3.3901,-.6365,10.258;-3.4511,-1.464,11.8404;-4.7956,-1.6716,10.6786;-2.9794,-2.7623,10.1509;-3.2413,-3.695,10.6908;-1.8865,-2.6349,10.2396;-3.3002,-2.9692,8.6707;-4.3848,-3.159,8.5509;-2.7413,-3.8454,8.2977;-1.7061,-1.7001,7.4441;-.215,-.3165,5.9713;.5697,-.9283,6.4548;.1267,.7415,6.0358;-.2642,-.6925,4.4772;.7191,-.4772,4.0061;-1.0026,-.0399,3.9708;-.6244,-2.159,4.2395;-1.649,-2.3346,4.615;.0271,-2.7904,4.8703;-.5226,-2.6199,2.7824;-.7292,-3.7063,2.7366;.5191,-2.4921,2.426;-1.4704,-1.8969,1.8248;-2.5166,-1.9812,2.1724;-1.2329,-.8211,1.7544;-1.4161,-2.3187,.8045;-.8707,-2.5589,7.7723;-1.4942,-.5181,6.728;-2.3775,.0639,6.4442;-3.0239,-1.8475,7.8788;-.4419,.0028,11.7687;-.0775,.2614,12.7809;-.5398,-1.0961,11.7081;-1.448,.4268,11.6268;.5076,.5136,10.6868;.6133,1.6129,10.7787;1.5171,.0936,10.8597;.0739,.1489,9.2577;-.1431,-.9348,9.1984;.9072,.3257,8.5572;-1.1271,.9476,8.7731;-2.154,1.0837,9.4202;-.9155,1.641,7.9219;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605320593184</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">0.001141516518 0.000203325405 0.020944239792 0.008612731071</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="126">-0.003328859 -0.000087127 0.000107970 0.000154717 0.000392500 0.000654638 0.001478713 0.002048184 0.002225948 0.002766027 0.003081211 0.004324560 0.004692109 0.005334801 0.006450780 0.007220277 0.007673950 0.008720862 0.010936982 0.011857219 0.012055908 0.013655913 0.017946546 0.019499389 0.021792789 0.024722459 0.027380287 0.029258861 0.032155674 0.034492802 0.036849206 0.040179573 0.040488650 0.043524661 0.046282960 0.046619690 0.049093020 0.051906553 0.052370234 0.053838921 0.055441313 0.058248535 0.058954745 0.059589172 0.064895681 0.067352466 0.069504934 0.072293266 0.072970468 0.076908176 0.077655277 0.079656612 0.080705648 0.082568542 0.087846332 0.091789920 0.094013544 0.099605778 0.100838029 0.106485334 0.109411742 0.112031265 0.114044833 0.115414611 0.120989553 0.130034530 0.135546553 0.138510602 0.145198880 0.151120502 0.152022778 0.163028423 0.169243576 0.172486233 0.176973647 0.181700128 0.189787479 0.191714011 0.198089694 0.211091173 0.224158972 0.228147192 0.250137187 0.253280455 0.266238125 0.293744651 0.311752810 0.343167040 0.413631348 0.420005140 0.432187860 0.478712149 0.534453800 0.546861579 0.593192271 0.616643372 0.662547709 0.682170646 0.738101890 0.751791383 0.755766059 0.761934122 0.771314090 0.779096192 0.787886224 0.797604407 0.805937304 0.813138456 0.815623709 0.821747796 0.830013685 0.847686708 0.851076807 0.864879188 0.865596663 0.892778602 0.899524961 0.901031600 0.905717883 0.919766746 0.934005269 0.940163409 0.958062852 0.981456324 1.527250057 1.591633219</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="-3.68570184" y3="-1.57297344" z3="10.77293138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37564534" y3="-0.64184059" z3="10.26875424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43230622" y3="-1.48133129" z3="11.84520204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78567745" y3="-1.67036943" z3="10.69098832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98085451" y3="-2.76939672" z3="10.14261785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2465921" y3="-3.70450481" z3="10.67631158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88668176" y3="-2.65099819" z3="10.22577785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31221368" y3="-2.96208092" z3="8.66295462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39877519" y3="-3.14278946" z3="8.54843794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76227511" y3="-3.83942774" z3="8.27971006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71606746" y3="-1.69313767" z3="7.43970326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22149909" y3="-0.30719975" z3="5.97263595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56387289" y3="-0.91722223" z3="6.45692474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11908421" y3="0.75103535" z3="6.0346261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27007261" y3="-0.68736325" z3="4.47969584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71262384" y3="-0.47010954" z3="4.00832977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01044083" y3="-0.03858681" z3="3.97132379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62457101" y3="-2.15590185" z3="4.24578107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65007484" y3="-2.33412912" z3="4.61691198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02602575" y3="-2.78270097" z3="4.8815974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51399697" y3="-2.62175812" z3="2.79107739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.71447122" y3="-3.70925018" z3="2.74817475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52826701" y3="-2.48949667" z3="2.43901127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.46119642" y3="-1.90772453" z3="1.8266285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50843225" y3="-1.99826269" z3="2.16841484">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.23066475" y3="-0.83056396" z3="1.75504534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39821186" y3="-2.33213047" z3="0.80780936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88402852" y3="-2.55821664" z3="7.75888193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49988888" y3="-0.5062925" z3="6.73177483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38161573" y3="0.07923261" z3="6.45073174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03257342" y3="-1.83644418" z3="7.87768497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43499454" y3="0.00887634" z3="11.76857817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06296722" y3="0.26755764" z3="12.77815025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.54035087" y3="-1.08951362" z3="11.71156912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43908125" y3="0.43914923" z3="11.63145887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51144555" y3="0.51079075" z3="10.67982791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62324612" y3="1.60999461" z3="10.76650766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.51973094" y3="0.08628787" z3="10.84953248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06905288" y3="0.14201914" z3="9.25477402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15087788" y3="-0.94147888" z3="9.2013259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8997313" y3="0.31441955" z3="8.54971748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1321354" y3="0.94256635" z3="8.77312146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.1592753" y3="1.07550385" z3="9.42118112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91723076" y3="1.64515028" z3="7.93017771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6857,-1.573,10.7729;-3.3756,-.6418,10.2688;-3.4323,-1.4813,11.8452;-4.7857,-1.6704,10.691;-2.9809,-2.7694,10.1426;-3.2466,-3.7045,10.6763;-1.8867,-2.651,10.2258;-3.3122,-2.9621,8.663;-4.3988,-3.1428,8.5484;-2.7623,-3.8394,8.2797;-1.7161,-1.6931,7.4397;-.2215,-.3072,5.9726;.5639,-.9172,6.4569;.1191,.751,6.0346;-.2701,-.6874,4.4797;.7126,-.4701,4.0083;-1.0104,-.0386,3.9713;-.6246,-2.1559,4.2458;-1.6501,-2.3341,4.6169;.026,-2.7827,4.8816;-.514,-2.6218,2.7911;-.7145,-3.7093,2.7482;.5283,-2.4895,2.439;-1.4612,-1.9077,1.8266;-2.5084,-1.9983,2.1684;-1.2307,-.8306,1.755;-1.3982,-2.3321,.8078;-.884,-2.5582,7.7589;-1.4999,-.5063,6.7318;-2.3816,.0792,6.4507;-3.0326,-1.8364,7.8777;-.435,.0089,11.7686;-.063,.2676,12.7782;-.5404,-1.0895,11.7116;-1.4391,.4391,11.6315;.5114,.5108,10.6798;.6232,1.61,10.7665;1.5197,.0863,10.8495;.0691,.142,9.2548;-.1509,-.9415,9.2013;.8997,.3144,8.5497;-1.1321,.9426,8.7731;-2.1593,1.0755,9.4212;-.9172,1.6452,7.9302;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605323613815</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">0.000811037844 0.000132589148 0.039194985119 0.008668172457</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="126">-0.002985944 0.000008956 0.000085440 0.000174458 0.000388785 0.000637371 0.001473494 0.002024127 0.002213240 0.002704001 0.003044312 0.004326055 0.004679034 0.005307841 0.006444515 0.007218716 0.007698271 0.008729138 0.010937054 0.011877125 0.012061150 0.013654080 0.017941316 0.019501179 0.021792573 0.024723277 0.027380509 0.029259828 0.032159938 0.034497224 0.036847986 0.040179781 0.040490205 0.043548492 0.046280848 0.046623705 0.049089463 0.051906293 0.052370033 0.053828410 0.055441750 0.058254349 0.058959189 0.059589234 0.064904316 0.067352967 0.069498785 0.072316165 0.072980610 0.076912928 0.077655235 0.079653705 0.080701414 0.082571048 0.087846710 0.091800343 0.093998586 0.099604987 0.100844026 0.106486304 0.109413535 0.112033364 0.114046940 0.115416850 0.121037541 0.130034378 0.135546879 0.138511611 0.145204743 0.151131723 0.152058496 0.163029147 0.169245148 0.172486055 0.176983532 0.181728630 0.189806657 0.191714420 0.198091091 0.211095462 0.224159978 0.228209635 0.250160994 0.253288296 0.266291174 0.293752755 0.311754135 0.343171406 0.413636927 0.420007197 0.432190214 0.478713169 0.534465249 0.546865331 0.593199186 0.616653821 0.662551852 0.682183600 0.738106511 0.751793569 0.755771535 0.761955280 0.771314581 0.779097445 0.787888817 0.797605966 0.805937258 0.813159231 0.815636314 0.821748666 0.830228156 0.847693059 0.851079289 0.864897117 0.865601389 0.892779472 0.899588734 0.901040774 0.905722423 0.919775451 0.934010321 0.940199606 0.958218417 0.981460937 1.527254615 1.591635556</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="-3.69656842" y3="-1.57070745" z3="10.76789647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38913798" y3="-0.63900692" z3="10.26291977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44671048" y3="-1.47590902" z3="11.84065973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79610367" y3="-1.67360083" z3="10.68286397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98445956" y3="-2.76515817" z3="10.14182836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24860049" y3="-3.70059879" z3="10.67575473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89117782" y3="-2.64267361" z3="10.22839819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31008394" y3="-2.96088431" z3="8.66147066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.3957122" y3="-3.14570883" z3="8.54325213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75545447" y3="-3.83666369" z3="8.28115589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7144622" y3="-1.68788526" z3="7.44197834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22134584" y3="-0.30283035" z3="5.97375258">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56421826" y3="-0.91155148" z3="6.4584781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11901407" y3="0.75522666" z3="6.03330921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27134415" y3="-0.68671673" z3="4.48185562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71128031" y3="-0.47218197" z3="4.00908617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01113043" y3="-0.03826617" z3="3.97238532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62847058" y3="-2.1554892" z3="4.25268387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65469589" y3="-2.33041245" z3="4.62346404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02011656" y3="-2.78144409" z3="4.89129124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51804437" y3="-2.62693545" z3="2.80001864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72464303" y3="-3.71341384" z3="2.76062376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52543678" y3="-2.50171199" z3="2.44912256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45972006" y3="-1.91100425" z3="1.83161175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50790572" y3="-1.99343373" z3="2.17222242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.22222663" y3="-0.83571991" z3="1.75632069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.397917" y3="-2.34009203" z3="0.81467778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88051151" y3="-2.55000086" z3="7.76431572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49927809" y3="-0.50115911" z3="6.73396688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38188477" y3="0.08150627" z3="6.44983735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03165035" y3="-1.83486076" z3="7.87593982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42758194" y3="-0.01438543" z3="11.76126248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06272262" y3="0.24242844" z3="12.77348247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.51113398" y3="-1.11448646" z3="11.69467224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43816635" y3="0.39995424" z3="11.6247816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51200672" y3="0.51471267" z3="10.67821377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.60622178" y3="1.61404563" z3="10.77611874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52631356" y3="0.10396083" z3="10.84529176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07724264" y3="0.15326352" z3="9.24943359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13089777" y3="-0.93250322" z3="9.18560234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90901329" y3="0.34234144" z3="8.54766291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13087529" y3="0.94585482" z3="8.77118372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15575448" y3="1.07406123" z3="9.42395037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92285366" y3="1.64942795" z3="7.92757507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6966,-1.5707,10.7679;-3.3891,-.639,10.2629;-3.4467,-1.4759,11.8407;-4.7961,-1.6736,10.6829;-2.9845,-2.7652,10.1418;-3.2486,-3.7006,10.6758;-1.8912,-2.6427,10.2284;-3.3101,-2.9609,8.6615;-4.3957,-3.1457,8.5433;-2.7555,-3.8367,8.2812;-1.7145,-1.6879,7.442;-.2213,-.3028,5.9738;.5642,-.9116,6.4585;.119,.7552,6.0333;-.2713,-.6867,4.4819;.7113,-.4722,4.0091;-1.0111,-.0383,3.9724;-.6285,-2.1555,4.2527;-1.6547,-2.3304,4.6235;.0201,-2.7814,4.8913;-.518,-2.6269,2.8;-.7246,-3.7134,2.7606;.5254,-2.5017,2.4491;-1.4597,-1.911,1.8316;-2.5079,-1.9934,2.1722;-1.2222,-.8357,1.7563;-1.3979,-2.3401,.8147;-.8805,-2.55,7.7643;-1.4993,-.5012,6.734;-2.3819,.0815,6.4498;-3.0317,-1.8349,7.8759;-.4276,-.0144,11.7613;-.0627,.2424,12.7735;-.5111,-1.1145,11.6947;-1.4382,.4,11.6248;.512,.5147,10.6782;.6062,1.614,10.7761;1.5263,.104,10.8453;.0772,.1533,9.2494;-.1309,-.9325,9.1856;.909,.3423,8.5477;-1.1309,.9459,8.7712;-2.1558,1.0741,9.424;-.9229,1.6494,7.9276;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605321843089</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">0.001148978769 0.000194007076 0.024115263642 0.008738936496</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="126">-0.002862925 -0.000158115 0.000084318 0.000136488 0.000370977 0.000619932 0.001481114 0.002015063 0.002213436 0.002706574 0.003038790 0.004314644 0.004682950 0.005301852 0.006446604 0.007218954 0.007686747 0.008733272 0.010948825 0.011896640 0.012060214 0.013671551 0.017946176 0.019501100 0.021797270 0.024725909 0.027383035 0.029258111 0.032165404 0.034497933 0.036848416 0.040186817 0.040492590 0.043570986 0.046281610 0.046625792 0.049090445 0.051906407 0.052369940 0.053824704 0.055442905 0.058287425 0.058959431 0.059590056 0.064901390 0.067352578 0.069498458 0.072331672 0.072987464 0.076914915 0.077654965 0.079653377 0.080704276 0.082574915 0.087848514 0.091811490 0.093997506 0.099609084 0.100846077 0.106486719 0.109415101 0.112038566 0.114052367 0.115422030 0.121055220 0.130034309 0.135546799 0.138515049 0.145214609 0.151140372 0.152090553 0.163030159 0.169245908 0.172488046 0.176984342 0.181756276 0.189818943 0.191724251 0.198112108 0.211099449 0.224238889 0.228236963 0.250152831 0.253308282 0.266254252 0.293756134 0.311762228 0.343187078 0.413635991 0.420013785 0.432207773 0.478721211 0.534493238 0.546874026 0.593203303 0.616680400 0.662561838 0.682202989 0.738120151 0.751797862 0.755782044 0.761985392 0.771316039 0.779099620 0.787897407 0.797610120 0.805947311 0.813170039 0.815643946 0.821751907 0.830334865 0.847697892 0.851083579 0.864902364 0.865605280 0.892784375 0.899587446 0.901046080 0.905746859 0.919780039 0.934013917 0.940258017 0.958308058 0.981461462 1.527264798 1.591655648</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="-3.70868711" y3="-1.56224315" z3="10.76684945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.40223604" y3="-0.63370368" z3="10.25595679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.46584816" y3="-1.45698873" z3="11.84042213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.80707959" y3="-1.6702668" z3="10.67592212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98697555" y3="-2.75871118" z3="10.15538935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24886458" y3="-3.690694" z3="10.69664101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89457431" y3="-2.6290095" z3="10.24699678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30298823" y3="-2.96974157" z3="8.67474341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.38673529" y3="-3.16254321" z3="8.55211501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.7405946" y3="-3.84526658" z3="8.30527116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.70887287" y3="-1.69923913" z3="7.44968603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.2196515" y3="-0.31529223" z3="5.97470789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56608054" y3="-0.92595917" z3="6.45825869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12091809" y3="0.74331961" z3="6.0384759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26961279" y3="-0.69196123" z3="4.48094414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71341886" y3="-0.47687652" z3="4.00940644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00817026" y3="-0.03952996" z3="3.97455641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63003972" y3="-2.15850531" z3="4.24404568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65644033" y3="-2.33297309" z3="4.61495903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01825174" y3="-2.789496" z3="4.87854073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5210577" y3="-2.62178219" z3="2.78835047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73279925" y3="-3.70725343" z3="2.74247022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.5236078" y3="-2.49945971" z3="2.43884175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45874108" y3="-1.89515555" z3="1.82317263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50762193" y3="-1.97208584" z3="2.16409293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21434533" y3="-0.82065876" z3="1.75172009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.4002797" y3="-2.32030957" z3="0.80421221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.87179349" y3="-2.55530161" z3="7.78158713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49840532" y3="-0.51773806" z3="6.73196444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38275275" y3="0.0616477" z3="6.44631779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.02714442" y3="-1.84904478" z3="7.88130929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42660978" y3="-0.01633388" z3="11.75926391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06807368" y3="0.24586214" z3="12.77248342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.5011479" y3="-1.11713363" z3="11.69418646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.44122174" y3="0.3878109" z3="11.61799037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51210975" y3="0.51779442" z3="10.67963339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.59924396" y3="1.61803809" z3="10.77953171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52900283" y3="0.11331796" z3="10.84762296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.08075191" y3="0.15710053" z3="9.24890609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.126139" y3="-0.92813778" z3="9.18396207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91139982" y3="0.34585904" z3="8.54856607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12881661" y3="0.9476014" z3="8.77026542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15265992" y3="1.07790487" z3="9.42391035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92616654" y3="1.64252651" z3="7.91812355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.7087,-1.5622,10.7668;-3.4022,-.6337,10.256;-3.4658,-1.457,11.8404;-4.8071,-1.6703,10.6759;-2.987,-2.7587,10.1554;-3.2489,-3.6907,10.6966;-1.8946,-2.629,10.247;-3.303,-2.9697,8.6747;-4.3867,-3.1625,8.5521;-2.7406,-3.8453,8.3053;-1.7089,-1.6992,7.4497;-.2197,-.3153,5.9747;.5661,-.926,6.4583;.1209,.7433,6.0385;-.2696,-.692,4.4809;.7134,-.4769,4.0094;-1.0082,-.0395,3.9746;-.63,-2.1585,4.244;-1.6564,-2.333,4.615;.0183,-2.7895,4.8785;-.5211,-2.6218,2.7884;-.7328,-3.7073,2.7425;.5236,-2.4995,2.4388;-1.4587,-1.8952,1.8232;-2.5076,-1.9721,2.1641;-1.2143,-.8207,1.7517;-1.4003,-2.3203,.8042;-.8718,-2.5553,7.7816;-1.4984,-.5177,6.732;-2.3828,.0616,6.4463;-3.0271,-1.849,7.8813;-.4266,-.0163,11.7593;-.0681,.2459,12.7725;-.5011,-1.1171,11.6942;-1.4412,.3878,11.618;.5121,.5178,10.6796;.5992,1.618,10.7795;1.529,.1133,10.8476;.0808,.1571,9.2489;-.1261,-.9281,9.184;.9114,.3459,8.5486;-1.1288,.9476,8.7703;-2.1527,1.0779,9.4239;-.9262,1.6425,7.9181;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605318261032</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">0.001678996714 0.000295843896 0.034971115995 0.008724214375</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="126">-0.002852050 -0.000020474 0.000084739 0.000131896 0.000372678 0.000618540 0.001483832 0.002012978 0.002214099 0.002706883 0.003039401 0.004322331 0.004684070 0.005300907 0.006449394 0.007219681 0.007685821 0.008741179 0.010956048 0.011920194 0.012061353 0.013687483 0.017948078 0.019501682 0.021800889 0.024727928 0.027384743 0.029257933 0.032167338 0.034499132 0.036848296 0.040186895 0.040493841 0.043597182 0.046282267 0.046626782 0.049091614 0.051906747 0.052371293 0.053825347 0.055444552 0.058304530 0.058962153 0.059590957 0.064906149 0.067352284 0.069499986 0.072354441 0.072998222 0.076913667 0.077654689 0.079652336 0.080710984 0.082573243 0.087849543 0.091824408 0.093999135 0.099608991 0.100847378 0.106487441 0.109417174 0.112058830 0.114057268 0.115424988 0.121072786 0.130034147 0.135547088 0.138518907 0.145225285 0.151148788 0.152137080 0.163029990 0.169246896 0.172488784 0.176996811 0.181755643 0.189854700 0.191729241 0.198111834 0.211103647 0.224303776 0.228232100 0.250151397 0.253307999 0.266248241 0.293758750 0.311765507 0.343185384 0.413637876 0.420019848 0.432216966 0.478720532 0.534496841 0.546877902 0.593203184 0.616680453 0.662580566 0.682213576 0.738127765 0.751799064 0.755785013 0.762017945 0.771316253 0.779100018 0.787898052 0.797611846 0.805955345 0.813174730 0.815645025 0.821753712 0.830560399 0.847697638 0.851083643 0.864932959 0.865607253 0.892786867 0.899609863 0.901056309 0.905753170 0.919788780 0.934018620 0.940269388 0.958464832 0.981464394 1.527262257 1.591701162</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="-3.69181916" y3="-1.56988588" z3="10.77198909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.38354414" y3="-0.63938671" z3="10.26544478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44137766" y3="-1.47370765" z3="11.84452198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79140891" y3="-1.67120874" z3="10.68765012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98161531" y3="-2.76623554" z3="10.14752491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24595689" y3="-3.70031413" z3="10.68373054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.8880556" y3="-2.64443923" z3="10.23284224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.30891792" y3="-2.96486549" z3="8.66781933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39467067" y3="-3.14946831" z3="8.55141906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.75528206" y3="-3.84170505" z3="8.28879244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71412186" y3="-1.69525939" z3="7.44328646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22149553" y3="-0.31068794" z3="5.97329905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56334308" y3="-0.92162214" z3="6.4569879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11996383" y3="0.74715398" z3="6.03611492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27077643" y3="-0.68939902" z3="4.48006551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71236459" y3="-0.47388786" z3="4.0088135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0096964" y3="-0.03854566" z3="3.97229225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62883595" y3="-2.15695355" z3="4.24503962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65550747" y3="-2.33249088" z3="4.61452076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01913114" y3="-2.7858181" z3="4.881699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51726049" y3="-2.62253812" z3="2.79038339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72444159" y3="-3.70873379" z3="2.74626811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52682144" y3="-2.49650136" z3="2.44112423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45737233" y3="-1.90185936" z3="1.82376678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50611838" y3="-1.98489501" z3="2.16301376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21898642" y3="-0.82637711" z3="1.75281673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.3949006" y3="-2.32671381" z3="0.8050794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88021377" y3="-2.55710325" z3="7.76654071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49995408" y3="-0.51028082" z3="6.73212776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38259191" y3="0.07286052" z3="6.4490315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03099971" y3="-1.84084411" z3="7.87956512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43284164" y3="0.00063308" z3="11.76560192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06485025" y3="0.25996798" z3="12.77623508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52730567" y3="-1.09870596" z3="11.70549032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43999245" y3="0.42278202" z3="11.62758986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5107071" y3="0.51420544" z3="10.67938181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61436785" y3="1.61349014" z3="10.77046036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52163952" y3="0.09622964" z3="10.84859774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07239954" y3="0.14766258" z3="9.2526744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14222608" y3="-0.9368677" z3="9.19499228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90394612" y3="0.32718715" z3="8.54925811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1316476" y3="0.9440734" z3="8.7715218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15749386" y3="1.07664796" z3="9.42153304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92076718" y3="1.64379511" z3="7.92546519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6918,-1.5699,10.772;-3.3835,-.6394,10.2654;-3.4414,-1.4737,11.8445;-4.7914,-1.6712,10.6877;-2.9816,-2.7662,10.1475;-3.246,-3.7003,10.6837;-1.8881,-2.6444,10.2328;-3.3089,-2.9649,8.6678;-4.3947,-3.1495,8.5514;-2.7553,-3.8417,8.2888;-1.7141,-1.6953,7.4433;-.2215,-.3107,5.9733;.5633,-.9216,6.457;.12,.7472,6.0361;-.2708,-.6894,4.4801;.7124,-.4739,4.0088;-1.0097,-.0385,3.9723;-.6288,-2.157,4.245;-1.6555,-2.3325,4.6145;.0191,-2.7858,4.8817;-.5173,-2.6225,2.7904;-.7244,-3.7087,2.7463;.5268,-2.4965,2.4411;-1.4574,-1.9019,1.8238;-2.5061,-1.9849,2.163;-1.219,-.8264,1.7528;-1.3949,-2.3267,.8051;-.8802,-2.5571,7.7665;-1.5,-.5103,6.7321;-2.3826,.0729,6.449;-3.031,-1.8408,7.8796;-.4328,.0006,11.7656;-.0649,.26,12.7762;-.5273,-1.0987,11.7055;-1.44,.4228,11.6276;.5107,.5142,10.6794;.6144,1.6135,10.7705;1.5216,.0962,10.8486;.0724,.1477,9.2527;-.1422,-.9369,9.195;.9039,.3272,8.5493;-1.1316,.9441,8.7715;-2.1575,1.0766,9.4215;-.9208,1.6438,7.9255;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605324527217</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">0.000173017554 0.000036242284 0.025482710597 0.008667431251</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002600892159 0.001733928106</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.002720510 -0.000047006 0.000106252 0.000130609 0.000321743 0.000610435 0.001478366 0.002004085 0.002211982 0.002649405 0.003031349 0.004309608 0.004680933 0.005288732 0.006444026 0.007219477 0.007699157 0.008744074 0.010954143 0.011922615 0.012064416 0.013693348 0.017954783 0.019501384 0.021804875 0.024730496 0.027385870 0.029257861 0.032173779 0.034498654 0.036848915 0.040187385 0.040494627 0.043605335 0.046281993 0.046629828 0.049090633 0.051906733 0.052370916 0.053817815 0.055443696 0.058313592 0.058966291 0.059593826 0.064919536 0.067353406 0.069500870 0.072377878 0.073006357 0.076917524 0.077655740 0.079652693 0.080712772 0.082575212 0.087862463 0.091831109 0.093995142 0.099608927 0.100850573 0.106487888 0.109417932 0.112058896 0.114060204 0.115428920 0.121097378 0.130034397 0.135547543 0.138521402 0.145230940 0.151162487 0.152162617 0.163030274 0.169247870 0.172488695 0.177002293 0.181776561 0.189863851 0.191736174 0.198116909 0.211102014 0.224318982 0.228276149 0.250175354 0.253314857 0.266311568 0.293758129 0.311766948 0.343189334 0.413640500 0.420026080 0.432228980 0.478722568 0.534506445 0.546878832 0.593207655 0.616688330 0.662584453 0.682222730 0.738136649 0.751800839 0.755788785 0.762032922 0.771316315 0.779100715 0.787900537 0.797611958 0.805957286 0.813183645 0.815649057 0.821755415 0.830671983 0.847700499 0.851084978 0.864937749 0.865611606 0.892787802 0.899658489 0.901063236 0.905763347 0.919796160 0.934019560 0.940288874 0.958568245 0.981470161 1.527264612 1.591701654</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="-3.67560631" y3="-1.57879782" z3="10.77934315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.36583931" y3="-0.6469448" z3="10.27616974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.41589495" y3="-1.49102286" z3="11.850536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.77634342" y3="-1.67257199" z3="10.70319528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97766008" y3="-2.77549764" z3="10.14169953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24442937" y3="-3.7116813" z3="10.67307756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88263475" y3="-2.661387" z3="10.2204103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31609612" y3="-2.96179108" z3="8.66261309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40374939" y3="-3.13929331" z3="8.55194909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76995253" y3="-3.83939711" z3="8.27379897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72141804" y3="-1.69040639" z3="7.44043681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22806478" y3="-0.30461968" z3="5.97269532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55809046" y3="-0.91323465" z3="6.4580126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11181422" y3="0.75416256" z3="6.03254248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27680929" y3="-0.68787456" z3="4.48055823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70770576" y3="-0.47643589" z3="4.0102612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01312458" y3="-0.03657045" z3="3.96945736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63860717" y3="-2.15511198" z3="4.24927534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66923989" y3="-2.32505355" z3="4.61038788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00100312" y3="-2.78366132" z3="4.89455542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5156998" y3="-2.62760043" z3="2.79773257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72917861" y3="-3.71275861" z3="2.75626271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53274459" y3="-2.50962197" z3="2.45847585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44151426" y3="-1.90512345" z3="1.81843499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49435235" y3="-1.98013187" z3="2.1472679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19566233" y3="-0.83124452" z3="1.74519643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37136961" y3="-2.33478547" z3="0.80214499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.8888808" y3="-2.55569799" z3="7.75799792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50593113" y3="-0.50308277" z3="6.73294362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38796765" y3="0.08214738" z3="6.45221863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03719085" y3="-1.83400139" z3="7.88003048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43180043" y3="0.01037744" z3="11.76724897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05655129" y3="0.2671503" z3="12.77609661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.53828103" y3="-1.08809182" z3="11.70847818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43627786" y3="0.44155341" z3="11.63408881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51222865" y3="0.51309385" z3="10.67648709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.62391443" y3="1.61253429" z3="10.76358128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52120975" y3="0.08865365" z3="10.84351477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06696672" y3="0.144948" z3="9.25207284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15210097" y3="-0.93860756" z3="9.19855167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89592436" y3="0.31818073" z3="8.54542795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13612836" y3="0.94455178" z3="8.77319335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16216197" y3="1.07606618" z3="9.4234263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92344458" y3="1.64806895" z3="7.93052358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6756,-1.5788,10.7793;-3.3658,-.6469,10.2762;-3.4159,-1.491,11.8505;-4.7763,-1.6726,10.7032;-2.9777,-2.7755,10.1417;-3.2444,-3.7117,10.6731;-1.8826,-2.6614,10.2204;-3.3161,-2.9618,8.6626;-4.4037,-3.1393,8.5519;-2.77,-3.8394,8.2738;-1.7214,-1.6904,7.4404;-.2281,-.3046,5.9727;.5581,-.9132,6.458;.1118,.7542,6.0325;-.2768,-.6879,4.4806;.7077,-.4764,4.0103;-1.0131,-.0366,3.9695;-.6386,-2.1551,4.2493;-1.6692,-2.3251,4.6104;.001,-2.7837,4.8946;-.5157,-2.6276,2.7977;-.7292,-3.7128,2.7563;.5327,-2.5096,2.4585;-1.4415,-1.9051,1.8184;-2.4944,-1.9801,2.1473;-1.1957,-.8312,1.7452;-1.3714,-2.3348,.8021;-.8889,-2.5557,7.758;-1.5059,-.5031,6.7329;-2.388,.0821,6.4522;-3.0372,-1.834,7.88;-.4318,.0104,11.7672;-.0566,.2672,12.7761;-.5383,-1.0881,11.7085;-1.4363,.4416,11.6341;.5122,.5131,10.6765;.6239,1.6125,10.7636;1.5212,.0887,10.8435;.067,.1449,9.2521;-.1521,-.9386,9.1986;.8959,.3182,8.5454;-1.1361,.9446,8.7732;-2.1622,1.0761,9.4234;-.9234,1.6481,7.9305;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605321856719</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">0.001119579762 0.000189600944 0.026705501803 0.008745870357</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="126">-0.002699237 -0.000054429 0.000106466 0.000129946 0.000299956 0.000579583 0.001452489 0.001975061 0.002221190 0.002571417 0.002980826 0.004305847 0.004683622 0.005267553 0.006435986 0.007219578 0.007625358 0.008734302 0.010947385 0.011942928 0.012057749 0.013719859 0.017950738 0.019492472 0.021817016 0.024736112 0.027391430 0.029247784 0.032178489 0.034497190 0.036849469 0.040192426 0.040495708 0.043606777 0.046277417 0.046631865 0.049089279 0.051906407 0.052372582 0.053805608 0.055441447 0.058332943 0.058974980 0.059582280 0.064953350 0.067353580 0.069497535 0.072415017 0.073020289 0.076907066 0.077657456 0.079647943 0.080707673 0.082577232 0.087897690 0.091839051 0.094031541 0.099607815 0.100851631 0.106486992 0.109420737 0.112071083 0.114068553 0.115428714 0.121123946 0.130035489 0.135548181 0.138519316 0.145260845 0.151206483 0.152314615 0.163032323 0.169250297 0.172488568 0.177010922 0.181796255 0.189902301 0.191822166 0.198121880 0.211107140 0.224348218 0.228303752 0.250234053 0.253337045 0.266335387 0.293757781 0.311774617 0.343197268 0.413672159 0.420110912 0.432246075 0.478726931 0.534779896 0.546895348 0.593215312 0.616690348 0.662590286 0.682241117 0.738146871 0.751801458 0.755792252 0.762030789 0.771317690 0.779103481 0.787904132 0.797616079 0.805963504 0.813441165 0.815694248 0.821765266 0.830945654 0.847703347 0.851090992 0.865057168 0.865681921 0.892790967 0.899704671 0.901072798 0.905780225 0.919797906 0.934023977 0.940310270 0.958720500 0.981498693 1.527273823 1.591743673</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="-3.6822719" y3="-1.58345962" z3="10.77359543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3717639" y3="-0.64931137" z3="10.27496641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.42574828" y3="-1.50009922" z3="11.84580486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78297051" y3="-1.67792354" z3="10.69403899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98216335" y3="-2.77715587" z3="10.13256024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.2501028" y3="-3.71571442" z3="10.65911372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88749794" y3="-2.66332416" z3="10.21385624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31786023" y3="-2.95654758" z3="8.65233223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40525226" y3="-3.13255556" z3="8.53916579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.77228649" y3="-3.83265389" z3="8.26033743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72071475" y3="-1.67997263" z3="7.43864123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22684073" y3="-0.29403109" z3="5.97248846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55973264" y3="-0.8998406" z3="6.45922602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11189852" y3="0.76471123" z3="6.02797081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27628602" y3="-0.68463064" z3="4.48222861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70780765" y3="-0.47544674" z3="4.01006191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01327612" y3="-0.03648673" z3="3.96823132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63777103" y3="-2.15366071" z3="4.25993445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66761268" y3="-2.32157484" z3="4.62404105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00312006" y3="-2.7780309" z3="4.90825241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51849993" y3="-2.63519978" z3="2.811072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73363579" y3="-3.72021607" z3="2.77680691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52915189" y3="-2.52068932" z3="2.46843886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44572226" y3="-1.91730371" z3="1.83019542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49746564" y3="-1.9879738" z3="2.16322874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.19754506" y3="-0.84480021" z3="1.74943054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37989644" y3="-2.35360798" z3="0.81661213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88819674" y3="-2.54525809" z3="7.75563887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50418424" y3="-0.49114461" z3="6.73417192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38625592" y3="0.09347838" z3="6.45227222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0369963" y3="-1.82539092" z3="7.87519151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.42458511" y3="-0.00764357" z3="11.76216188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05251059" y3="0.24386041" z3="12.77307656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.51768946" y3="-1.10666746" z3="11.69335216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43208958" y3="0.41484791" z3="11.63150391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51404485" y3="0.51617104" z3="10.67590769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61429172" y3="1.61503565" z3="10.77254094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.5266124" y3="0.10058949" z3="10.84026946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07379107" y3="0.1552268" z3="9.24834061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.13658195" y3="-0.92998842" z3="9.18589264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90394082" y3="0.34300349" z3="8.54400611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13453097" y3="0.94929322" z3="8.77399276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15923274" y3="1.0745099" z3="9.42766857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92671568" y3="1.65696384" z3="7.93375286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6823,-1.5835,10.7736;-3.3718,-.6493,10.275;-3.4257,-1.5001,11.8458;-4.783,-1.6779,10.694;-2.9822,-2.7772,10.1326;-3.2501,-3.7157,10.6591;-1.8875,-2.6633,10.2139;-3.3179,-2.9565,8.6523;-4.4053,-3.1326,8.5392;-2.7723,-3.8327,8.2603;-1.7207,-1.68,7.4386;-.2268,-.294,5.9725;.5597,-.8998,6.4592;.1119,.7647,6.028;-.2763,-.6846,4.4822;.7078,-.4754,4.0101;-1.0133,-.0365,3.9682;-.6378,-2.1537,4.2599;-1.6676,-2.3216,4.624;.0031,-2.778,4.9083;-.5185,-2.6352,2.8111;-.7336,-3.7202,2.7768;.5292,-2.5207,2.4684;-1.4457,-1.9173,1.8302;-2.4975,-1.988,2.1632;-1.1975,-.8448,1.7494;-1.3799,-2.3536,.8166;-.8882,-2.5453,7.7556;-1.5042,-.4911,6.7342;-2.3863,.0935,6.4523;-3.037,-1.8254,7.8752;-.4246,-.0076,11.7622;-.0525,.2439,12.7731;-.5177,-1.1067,11.6934;-1.4321,.4148,11.6315;.514,.5162,10.6759;.6143,1.615,10.7725;1.5266,.1006,10.8403;.0738,.1552,9.2483;-.1366,-.93,9.1859;.9039,.343,8.544;-1.1345,.9493,8.774;-2.1592,1.0745,9.4277;-.9267,1.657,7.9338;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605319002302</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">0.001310780978 0.000224050110 0.023047259535 0.008710257186</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="126">-0.002033230 -0.000000880 0.000062881 0.000195466 0.000331707 0.000438712 0.001438117 0.001955442 0.002212997 0.002569101 0.002839548 0.004271651 0.004726864 0.005111555 0.006430947 0.007232402 0.007440416 0.008716082 0.010961292 0.011960574 0.012080673 0.013744748 0.017912736 0.019481438 0.021817484 0.024735865 0.027383787 0.029233842 0.032182788 0.034481246 0.036860476 0.040204908 0.040495888 0.043635283 0.046276559 0.046633351 0.049085140 0.051904912 0.052384325 0.053760853 0.055456403 0.058424016 0.058984682 0.059577643 0.064977773 0.067353223 0.069492896 0.072442342 0.073027725 0.076911745 0.077655982 0.079652134 0.080713852 0.082589796 0.087873171 0.091901210 0.094105534 0.099612073 0.100854903 0.106489321 0.109425744 0.112079743 0.114075004 0.115442863 0.121183994 0.130037620 0.135551642 0.138525533 0.145281745 0.151212701 0.152592978 0.163042083 0.169254133 0.172490448 0.177061823 0.181838274 0.189901147 0.192005453 0.198227314 0.211120733 0.224386293 0.228384284 0.250246009 0.253350784 0.266314534 0.293751439 0.311781981 0.343237362 0.413718334 0.420202851 0.432420293 0.478756720 0.535215745 0.546901912 0.593269711 0.616738955 0.662596044 0.682375542 0.738168249 0.751807798 0.755799975 0.762094822 0.771326641 0.779107199 0.787913668 0.797620756 0.805988037 0.813834150 0.815813227 0.821772802 0.831150104 0.847700694 0.851145424 0.865159623 0.865745042 0.892804682 0.899944822 0.901092104 0.905795014 0.919823491 0.934031012 0.940391047 0.959055244 0.981551169 1.527281033 1.591889221</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="-3.68582582" y3="-1.57246202" z3="10.77531211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37760837" y3="-0.64133449" z3="10.26995508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43198101" y3="-1.47919465" z3="11.84742511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78581764" y3="-1.67180914" z3="10.69402829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.97946657" y3="-2.76851618" z3="10.14577138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24399779" y3="-3.70350794" z3="10.68019217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88551039" y3="-2.64902572" z3="10.22851628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.3112503" y3="-2.96267602" z3="8.66635274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39768885" y3="-3.14468806" z3="8.55242582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76053221" y3="-3.8396726" z3="8.28338469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71750943" y3="-1.69203705" z3="7.44153154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22591092" y3="-0.30543654" z3="5.97257394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56018697" y3="-0.91472337" z3="6.45614752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11433285" y3="0.75280877" z3="6.03331655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27617057" y3="-0.68720643" z3="4.48012098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7073191" y3="-0.47406107" z3="4.00849738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01416131" y3="-0.03652399" z3="3.97070467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63607982" y3="-2.15498499" z3="4.24832487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66542551" y3="-2.32698022" z3="4.61192991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00628377" y3="-2.78292803" z3="4.89150539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51645727" y3="-2.62607461" z3="2.79604852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72758812" y3="-3.71159059" z3="2.75413618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53045224" y3="-2.50532715" z3="2.45360947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44688712" y3="-1.9048265" z3="1.82062185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49840736" y3="-1.98322423" z3="2.15237414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.20408651" y3="-0.83038645" z3="1.74865355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37847761" y3="-2.33263364" z3="0.80353868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88402732" y3="-2.55581045" z3="7.76026629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50309821" y3="-0.50481005" z3="6.7337898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38588279" y3="0.07908023" z3="6.45261454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03343986" y3="-1.8370599" z3="7.88014346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43089534" y3="0.00016844" z3="11.76489157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06123933" y3="0.2593014" z3="12.7752864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52652509" y3="-1.09892636" z3="11.70533016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4375797" y3="0.42351812" z3="11.62810361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51134699" y3="0.51295221" z3="10.67707105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61561573" y3="1.6122758" z3="10.76767397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52227674" y3="0.09447887" z3="10.8451891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07094549" y3="0.14590331" z3="9.25137357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14312736" y3="-0.93892947" z3="9.19413964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90164587" y3="0.326053" z3="8.54676057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1339027" y3="0.94198455" z3="8.77165537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15974877" y3="1.07254288" z3="9.42229604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92246055" y3="1.64568764" z3="7.92878888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6858,-1.5725,10.7753;-3.3776,-.6413,10.27;-3.432,-1.4792,11.8474;-4.7858,-1.6718,10.694;-2.9795,-2.7685,10.1458;-3.244,-3.7035,10.6802;-1.8855,-2.649,10.2285;-3.3113,-2.9627,8.6664;-4.3977,-3.1447,8.5524;-2.7605,-3.8397,8.2834;-1.7175,-1.692,7.4415;-.2259,-.3054,5.9726;.5602,-.9147,6.4561;.1143,.7528,6.0333;-.2762,-.6872,4.4801;.7073,-.4741,4.0085;-1.0142,-.0365,3.9707;-.6361,-2.155,4.2483;-1.6654,-2.327,4.6119;.0063,-2.7829,4.8915;-.5165,-2.6261,2.796;-.7276,-3.7116,2.7541;.5305,-2.5053,2.4536;-1.4469,-1.9048,1.8206;-2.4984,-1.9832,2.1524;-1.2041,-.8304,1.7487;-1.3785,-2.3326,.8035;-.884,-2.5558,7.7603;-1.5031,-.5048,6.7338;-2.3859,.0791,6.4526;-3.0334,-1.8371,7.8801;-.4309,.0002,11.7649;-.0612,.2593,12.7753;-.5265,-1.0989,11.7053;-1.4376,.4235,11.6281;.5113,.513,10.6771;.6156,1.6123,10.7677;1.5223,.0945,10.8452;.0709,.1459,9.2514;-.1431,-.9389,9.1941;.9016,.3261,8.5468;-1.1339,.942,8.7717;-2.1597,1.0725,9.4223;-.9225,1.6457,7.9288;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605323737695</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">0.000569422080 0.000105609956 0.037127412502 0.008625253948</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="126">-0.001973409 -0.000103251 0.000106201 0.000140439 0.000279889 0.000569908 0.001432885 0.001943099 0.002217734 0.002510594 0.002843223 0.004268352 0.004716128 0.005051876 0.006430271 0.007232554 0.007443191 0.008715332 0.010953248 0.011946717 0.012069690 0.013766289 0.017904227 0.019481149 0.021828648 0.024739163 0.027385836 0.029234987 0.032187377 0.034481569 0.036861633 0.040204079 0.040497899 0.043656119 0.046275649 0.046636396 0.049087728 0.051905217 0.052390257 0.053753158 0.055452511 0.058443482 0.058984115 0.059571554 0.064992732 0.067353927 0.069490579 0.072482575 0.073046272 0.076908050 0.077656542 0.079649352 0.080717107 0.082589034 0.087867461 0.091925033 0.094119346 0.099612174 0.100855954 0.106490151 0.109426412 0.112109928 0.114080825 0.115443675 0.121207890 0.130038195 0.135552116 0.138526526 0.145296891 0.151236728 0.152670159 0.163039079 0.169253478 0.172490591 0.177075730 0.181850343 0.189909242 0.191990517 0.198223695 0.211104828 0.224408565 0.228401331 0.250254514 0.253360508 0.266388250 0.293744633 0.311785565 0.343236958 0.413714472 0.420216777 0.432434767 0.478757996 0.535263609 0.546903999 0.593274830 0.616738991 0.662601372 0.682380987 0.738175783 0.751810126 0.755802207 0.762112577 0.771329056 0.779110112 0.787913717 0.797623463 0.805992121 0.813868036 0.815825818 0.821776943 0.831288639 0.847711240 0.851151062 0.865176333 0.865758789 0.892810278 0.900004564 0.901098422 0.905799705 0.919826289 0.934036024 0.940419794 0.959202517 0.981561656 1.527297676 1.591927315</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="-3.69942022" y3="-1.57223735" z3="10.77546748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3933899" y3="-0.64094917" z3="10.26863805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.44730141" y3="-1.4763349" z3="11.84756645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.79891878" y3="-1.67651003" z3="10.69302291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98651847" y3="-2.76619341" z3="10.14938465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24810544" y3="-3.70190082" z3="10.68441854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.89304466" y3="-2.64135787" z3="10.23438205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31348667" y3="-2.96393484" z3="8.66954968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39944289" y3="-3.14721252" z3="8.55206486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76015129" y3="-3.84103604" z3="8.2900405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71683887" y3="-1.69472386" z3="7.44831648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22301958" y3="-0.31049412" z3="5.97910505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56244012" y3="-0.92233223" z3="6.46146886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12019734" y3="0.74715394" z3="6.04004589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27746321" y3="-0.69027581" z3="4.48653526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.70595503" y3="-0.47920393" z3="4.01370069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01424939" y3="-0.03627276" z3="3.9793727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.64278133" y3="-2.15619029" z3="4.25208469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.67425097" y3="-2.32477424" z3="4.61176842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.00517919" y3="-2.78791343" z3="4.89608147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5196043" y3="-2.62529664" z3="2.79957955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.73756117" y3="-3.70952872" z3="2.75479194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.53010911" y3="-2.51081259" z3="2.46259108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.44053561" y3="-1.89600973" z3="1.82041862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.49444119" y3="-1.96710965" z3="2.14693877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.1896669" y3="-0.82290178" z3="1.75037861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.37029191" y3="-2.32342153" z3="0.8031078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88405688" y3="-2.55832118" z3="7.76869953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49954016" y3="-0.50567089" z3="6.74257246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38245972" y3="0.07572295" z3="6.45671639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0335555" y3="-1.83956889" z3="7.88203011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.41948755" y3="-0.00897924" z3="11.75513676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.05923161" y3="0.26113713" z3="12.76554953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.48939768" y3="-1.11122593" z3="11.69700684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.4365136" y3="0.39011741" z3="11.61356393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51418255" y3="0.52284975" z3="10.66939158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.59715763" y3="1.62423047" z3="10.76223266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.53353169" y3="0.12350439" z3="10.83683248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07923485" y3="0.15140503" z3="9.24247924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.12292639" y3="-0.9351342" z3="9.18593278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.9073569" y3="0.34026663" z3="8.53879017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13572493" y3="0.93467395" z3="8.76275522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16100937" y3="1.05705182" z3="9.41765657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92896023" y3="1.64510242" z3="7.92420557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6994,-1.5722,10.7755;-3.3934,-.6409,10.2686;-3.4473,-1.4763,11.8476;-4.7989,-1.6765,10.693;-2.9865,-2.7662,10.1494;-3.2481,-3.7019,10.6844;-1.893,-2.6414,10.2344;-3.3135,-2.9639,8.6695;-4.3994,-3.1472,8.5521;-2.7602,-3.841,8.29;-1.7168,-1.6947,7.4483;-.223,-.3105,5.9791;.5624,-.9223,6.4615;.1202,.7472,6.04;-.2775,-.6903,4.4865;.706,-.4792,4.0137;-1.0142,-.0363,3.9794;-.6428,-2.1562,4.2521;-1.6743,-2.3248,4.6118;-.0052,-2.7879,4.8961;-.5196,-2.6253,2.7996;-.7376,-3.7095,2.7548;.5301,-2.5108,2.4626;-1.4405,-1.896,1.8204;-2.4944,-1.9671,2.1469;-1.1897,-.8229,1.7504;-1.3703,-2.3234,.8031;-.8841,-2.5583,7.7687;-1.4995,-.5057,6.7426;-2.3825,.0757,6.4567;-3.0336,-1.8396,7.882;-.4195,-.009,11.7551;-.0592,.2611,12.7655;-.4894,-1.1112,11.697;-1.4365,.3901,11.6136;.5142,.5228,10.6694;.5972,1.6242,10.7622;1.5335,.1235,10.8368;.0792,.1514,9.2425;-.1229,-.9351,9.1859;.9074,.3403,8.5388;-1.1357,.9347,8.7628;-2.161,1.0571,9.4177;-.929,1.6451,7.9242;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605318115105</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">0.001545839023 0.000307367828 0.035563280845 0.008727131573</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="126">-0.002007140 0.000059377 0.000101767 0.000147867 0.000287867 0.000560549 0.001434562 0.001947419 0.002222079 0.002510097 0.002870082 0.004269546 0.004717924 0.005052322 0.006433562 0.007232526 0.007449433 0.008717304 0.010953034 0.011959957 0.012070233 0.013779616 0.017903730 0.019481479 0.021835945 0.024739544 0.027387081 0.029234734 0.032187158 0.034481633 0.036863156 0.040204481 0.040498467 0.043659079 0.046275625 0.046636491 0.049088791 0.051905461 0.052393201 0.053753856 0.055454743 0.058460096 0.058984929 0.059570484 0.064989810 0.067354241 0.069491965 0.072489321 0.073054045 0.076907373 0.077656397 0.079648739 0.080717654 0.082588187 0.087869904 0.091937397 0.094119908 0.099612158 0.100855719 0.106490788 0.109427350 0.112138516 0.114086728 0.115443716 0.121209070 0.130038620 0.135552210 0.138527158 0.145301900 0.151247815 0.152701361 0.163038997 0.169255264 0.172491198 0.177079184 0.181855513 0.189925991 0.191984227 0.198220427 0.211109558 0.224440985 0.228408519 0.250244357 0.253366175 0.266395439 0.293750795 0.311788776 0.343237254 0.413715743 0.420228749 0.432450714 0.478761155 0.535266548 0.546905164 0.593276332 0.616739213 0.662604137 0.682382548 0.738184460 0.751810959 0.755802757 0.762121326 0.771331226 0.779112482 0.787915598 0.797625494 0.806002765 0.813874904 0.815825394 0.821778990 0.831413725 0.847724042 0.851151671 0.865194625 0.865760975 0.892820446 0.900137699 0.901102748 0.905804381 0.919826863 0.934037883 0.940430391 0.959329176 0.981563717 1.527296990 1.591952269</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="-3.68814973" y3="-1.57280127" z3="10.77456182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3793814" y3="-0.64178707" z3="10.26916823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43476641" y3="-1.47950228" z3="11.84666661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.788097" y3="-1.67196581" z3="10.69285312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98161081" y3="-2.7690028" z3="10.14573423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24664697" y3="-3.70391298" z3="10.68013053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88764655" y3="-2.64953996" z3="10.22910541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31230093" y3="-2.96348637" z3="8.66619687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.3987358" y3="-3.14516536" z3="8.55138895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76147297" y3="-3.84084033" z3="8.28405715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71675132" y3="-1.6940502" z3="7.4428753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22299573" y3="-0.30911558" z3="5.97444903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56199741" y3="-0.91994492" z3="6.45817492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11868489" y3="0.74872794" z3="6.03641194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27295144" y3="-0.68890875" z3="4.48155553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71043235" y3="-0.47455997" z3="4.01024725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.0112229" y3="-0.03772568" z3="3.97322544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.63224234" y3="-2.1563053" z3="4.24730242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.66031219" y3="-2.33021346" z3="4.61363017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01277693" y3="-2.78527553" z3="4.88670628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51651986" y3="-2.62362245" z3="2.79355335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72555972" y3="-3.70948134" z3="2.7497776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52903117" y3="-2.49991841" z3="2.4479335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45175262" y3="-1.90213701" z3="1.82280804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50194059" y3="-1.98322469" z3="2.15800556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21135768" y3="-0.82702335" z3="1.75199234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.38604317" y3="-2.32788645" z3="0.80465124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88390836" y3="-2.55784117" z3="7.76325573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50100762" y3="-0.50723194" z3="6.7345427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38328983" y3="0.07653059" z3="6.45163641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03323482" y3="-1.83834841" z3="7.8797902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43058649" y3="0.00327289" z3="11.76460053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06151447" y3="0.26439923" z3="12.77441602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52496096" y3="-1.09626543" z3="11.70632599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43821" y3="0.4247533" z3="11.62703294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.5115297" y3="0.51531495" z3="10.67647663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61470956" y3="1.61495952" z3="10.76558665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52302015" y3="0.09816203" z3="10.84510878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.0714512" y3="0.14619009" z3="9.25091378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14253491" y3="-0.93847824" z3="9.19560751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90185879" y3="0.32497557" z3="8.54627816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1338847" y3="0.94122267" z3="8.77002272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15999406" y3="1.07175272" z3="9.42048952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.9222696" y3="1.64468837" z3="7.92712574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6881,-1.5728,10.7746;-3.3794,-.6418,10.2692;-3.4348,-1.4795,11.8467;-4.7881,-1.672,10.6929;-2.9816,-2.769,10.1457;-3.2466,-3.7039,10.6801;-1.8876,-2.6495,10.2291;-3.3123,-2.9635,8.6662;-4.3987,-3.1452,8.5514;-2.7615,-3.8408,8.2841;-1.7168,-1.6941,7.4429;-.223,-.3091,5.9744;.562,-.9199,6.4582;.1187,.7487,6.0364;-.273,-.6889,4.4816;.7104,-.4746,4.0102;-1.0112,-.0377,3.9732;-.6322,-2.1563,4.2473;-1.6603,-2.3302,4.6136;.0128,-2.7853,4.8867;-.5165,-2.6236,2.7936;-.7256,-3.7095,2.7498;.529,-2.4999,2.4479;-1.4518,-1.9021,1.8228;-2.5019,-1.9832,2.158;-1.2114,-.827,1.752;-1.386,-2.3279,.8047;-.8839,-2.5578,7.7633;-1.501,-.5072,6.7345;-2.3833,.0765,6.4516;-3.0332,-1.8383,7.8798;-.4306,.0033,11.7646;-.0615,.2644,12.7744;-.525,-1.0963,11.7063;-1.4382,.4248,11.627;.5115,.5153,10.6765;.6147,1.615,10.7656;1.523,.0982,10.8451;.0715,.1462,9.2509;-.1425,-.9385,9.1956;.9019,.325,8.5463;-1.1339,.9412,8.77;-2.16,1.0718,9.4205;-.9223,1.6447,7.9271;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605324715642</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">0.000183251748 0.000033872401 0.007617450345 0.002724393757</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002455638247 0.001637092165</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.001939999 0.000070972 0.000119910 0.000128429 0.000168835 0.000508337 0.001430381 0.001928592 0.002221671 0.002484655 0.002866509 0.004263451 0.004714286 0.005032418 0.006422579 0.007232099 0.007451591 0.008716544 0.010943179 0.011962585 0.012063046 0.013796039 0.017907501 0.019480271 0.021844740 0.024740937 0.027388018 0.029235567 0.032188559 0.034482108 0.036865437 0.040203908 0.040499099 0.043665663 0.046274277 0.046638287 0.049087805 0.051905340 0.052395966 0.053736856 0.055452701 0.058475546 0.058983542 0.059572969 0.065004566 0.067355126 0.069491092 0.072506937 0.073063856 0.076903489 0.077656600 0.079647620 0.080719922 0.082589000 0.087884314 0.091942503 0.094118262 0.099612325 0.100857550 0.106490665 0.109425897 0.112151063 0.114091480 0.115445137 0.121227730 0.130038823 0.135552380 0.138526740 0.145313508 0.151274046 0.152738397 0.163039167 0.169256349 0.172490536 0.177089832 0.181862614 0.189937134 0.191993553 0.198222620 0.211112207 0.224452748 0.228436756 0.250283093 0.253375548 0.266499145 0.293749910 0.311792659 0.343236671 0.413713576 0.420236247 0.432460667 0.478762885 0.535274617 0.546906687 0.593278126 0.616739600 0.662606756 0.682382993 0.738189649 0.751811502 0.755804326 0.762128633 0.771332335 0.779114100 0.787916421 0.797626689 0.806006440 0.813880526 0.815826480 0.821781076 0.831541169 0.847727335 0.851154308 0.865205595 0.865764110 0.892823898 0.900209006 0.901107116 0.905808213 0.919827738 0.934039617 0.940444117 0.959406898 0.981564157 1.527300274 1.591966631</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="-3.68816704" y3="-1.57225827" z3="10.77467474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.3780914" y3="-0.64200368" z3="10.26879186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43465578" y3="-1.47868093" z3="11.84678742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78822253" y3="-1.66970679" z3="10.69294613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98351714" y3="-2.76990229" z3="10.14654358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.25038477" y3="-3.70407001" z3="10.68122348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88945305" y3="-2.65232746" z3="10.23029173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31410984" y3="-2.96450193" z3="8.66694665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.40073091" y3="-3.14480994" z3="8.55201677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76448241" y3="-3.84278847" z3="8.28530917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71665623" y3="-1.69689097" z3="7.44395537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22082422" y3="-0.31326288" z3="5.97606125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56273128" y3="-0.92592535" z3="6.4597137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.12229673" y3="0.74401055" z3="6.04011869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.26950791" y3="-0.69033906" z3="4.48243906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.7140024" y3="-0.47458394" z3="4.0120669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.00785468" y3="-0.03862705" z3="3.97497805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62756695" y3="-2.15753306" z3="4.24521011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.6543344" y3="-2.33376189" z3="4.61413198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02039438" y3="-2.78735552" z3="4.88099427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.51546046" y3="-2.62077222" z3="2.78976972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72187639" y3="-3.70705363" z3="2.74383801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52859991" y3="-2.49345268" z3="2.44090538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45590547" y3="-1.89907411" z3="1.82416148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50480388" y3="-1.9841508" z3="2.16262329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21877684" y3="-0.82311969" z3="1.75573412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39229386" y3="-2.32159226" z3="0.80455814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88448161" y3="-2.56061999" z3="7.76609066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49999426" y3="-0.51105485" z3="6.7343179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38182296" y3="0.07271656" z3="6.44997725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03361845" y3="-1.84010353" z3="7.87999758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43059557" y3="0.00709405" z3="11.76490822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06117844" y3="0.26961924" z3="12.77450348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.52505636" y3="-1.09241076" z3="11.70845966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43816614" y3="0.42859897" z3="11.62720907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51111324" y3="0.51750356" z3="10.67548322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61434913" y3="1.61742136" z3="10.76273674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52264213" y3="0.10054223" z3="10.84437976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.07038721" y3="0.14581134" z3="9.25098372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.14414831" y3="-0.9390615" z3="9.19763394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90076018" y3="0.32306326" z3="8.54564169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13468904" y3="0.94039362" z3="8.76908808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.16093495" y3="1.07165179" z3="9.41908416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92327615" y3="1.64275629" z3="7.92508666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.6882,-1.5723,10.7747;-3.3781,-.642,10.2688;-3.4347,-1.4787,11.8468;-4.7882,-1.6697,10.6929;-2.9835,-2.7699,10.1465;-3.2504,-3.7041,10.6812;-1.8895,-2.6523,10.2303;-3.3141,-2.9645,8.6669;-4.4007,-3.1448,8.552;-2.7645,-3.8428,8.2853;-1.7167,-1.6969,7.444;-.2208,-.3133,5.9761;.5627,-.9259,6.4597;.1223,.744,6.0401;-.2695,-.6903,4.4824;.714,-.4746,4.0121;-1.0079,-.0386,3.975;-.6276,-2.1575,4.2452;-1.6543,-2.3338,4.6141;.0204,-2.7874,4.881;-.5155,-2.6208,2.7898;-.7219,-3.7071,2.7438;.5286,-2.4935,2.4409;-1.4559,-1.8991,1.8242;-2.5048,-1.9842,2.1626;-1.2188,-.8231,1.7557;-1.3923,-2.3216,.8046;-.8845,-2.5606,7.7661;-1.5,-.5111,6.7343;-2.3818,.0727,6.45;-3.0336,-1.8401,7.88;-.4306,.0071,11.7649;-.0612,.2696,12.7745;-.5251,-1.0924,11.7085;-1.4382,.4286,11.6272;.5111,.5175,10.6755;.6143,1.6174,10.7627;1.5226,.1005,10.8444;.0704,.1458,9.251;-.1441,-.9391,9.1976;.9008,.3231,8.5456;-1.1347,.9404,8.7691;-2.1609,1.0717,9.4191;-.9233,1.6428,7.9251;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605324526976</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">0.000226805394 0.000057062194 0.007000809200 0.002378059767</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.001984079800 0.001322719866</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.001887944 0.000088627 0.000123995 0.000144340 0.000320164 0.000498929 0.001437825 0.001897901 0.002230297 0.002448563 0.002845262 0.004265520 0.004709214 0.005002472 0.006422579 0.007233334 0.007458011 0.008720115 0.010937776 0.011956729 0.012060619 0.013794904 0.017915424 0.019479782 0.021847737 0.024744058 0.027389098 0.029235381 0.032191115 0.034480399 0.036865772 0.040203409 0.040499706 0.043673569 0.046273019 0.046640216 0.049087543 0.051905489 0.052396683 0.053726758 0.055457635 0.058487912 0.058987565 0.059570085 0.065007750 0.067356549 0.069492437 0.072519929 0.073072895 0.076902354 0.077657001 0.079642906 0.080720682 0.082589519 0.087904633 0.091939774 0.094109426 0.099612136 0.100858642 0.106490750 0.109425516 0.112164794 0.114094616 0.115447800 0.121245327 0.130039252 0.135552891 0.138527405 0.145322037 0.151288719 0.152763945 0.163039798 0.169258178 0.172489799 0.177096836 0.181874363 0.189958523 0.192019687 0.198222339 0.211108072 0.224473060 0.228444282 0.250308681 0.253393201 0.266540381 0.293745728 0.311794852 0.343239079 0.413716036 0.420239729 0.432466037 0.478766021 0.535301393 0.546910772 0.593279312 0.616741602 0.662610445 0.682393627 0.738195490 0.751813136 0.755807428 0.762146494 0.771332602 0.779116411 0.787915609 0.797627706 0.806016766 0.813918113 0.815833703 0.821783071 0.831697572 0.847736216 0.851158957 0.865231402 0.865784157 0.892825863 0.900286779 0.901113599 0.905818532 0.919830574 0.934042385 0.940455529 0.959487171 0.981566245 1.527299473 1.591964279</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="-3.68596834" y3="-1.57318459" z3="10.77437896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.37660778" y3="-0.64217712" z3="10.26938189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.43189684" y3="-1.48072331" z3="11.84642048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-4.78606189" y3="-1.67104323" z3="10.69318181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-2.98120915" y3="-2.76985933" z3="10.14446913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.24717524" y3="-3.70472555" z3="10.67842352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-1.88709212" y3="-2.65186206" z3="10.22740577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.31290344" y3="-2.96302496" z3="8.66495515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.39955142" y3="-3.14371832" z3="8.55070984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-2.76313582" y3="-3.84064126" z3="8.28195951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71688107" y3="-1.69384863" z3="7.44182081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.22246563" y3="-0.30912672" z3="5.97383228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56220921" y3="-0.92001291" z3="6.45792922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.11917425" y3="0.74868649" z3="6.03615824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.27136884" y3="-0.68874978" z3="4.48081808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="0.71196146" y3="-0.47341064" z3="4.00985758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-1.01012002" y3="-0.03825705" z3="3.97234797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.62899581" y3="-2.15651826" z3="4.2463697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.65607339" y3="-2.33207731" z3="4.61468646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01827336" y3="-2.78487907" z3="4.88416341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.5155434" y3="-2.62295604" z3="2.79213549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.72182045" y3="-3.70933148" z3="2.74845675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.52879588" y3="-2.49634106" z3="2.44394447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.45514548" y3="-1.90363344" z3="1.82405598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.50426924" y3="-1.98797108" z3="2.16178196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-1.21804394" y3="-0.82783515" z3="1.75329263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.39065018" y3="-2.32859307" z3="0.80552204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.88432897" y3="-2.55789179" z3="7.76240348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.50098999" y3="-0.50753111" z3="6.73298555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.38294789" y3="0.07686336" z3="6.45038171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.03345609" y3="-1.8376525" z3="7.87907222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.43243032" y3="0.00598514" z3="11.76648709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.06180664" y3="0.2658366" z3="12.77618028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="-0.53101058" y3="-1.09313308" z3="11.70848659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-1.43849417" y3="0.43128904" z3="11.62959121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="0.51108391" y3="0.51431329" z3="10.67771009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.61778996" y3="1.61373272" z3="10.765918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="1.52123113" y3="0.09408672" z3="10.84654926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="0.06989252" y3="0.14517762" z3="9.25259524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.1465364" y3="-0.93916268" z3="9.19791317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90069075" y3="0.32169187" z3="8.54761134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13357806" y3="0.94244135" z3="8.77138647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.15991491" y3="1.07445569" z3="9.42092776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.92099071" y3="1.6447" z3="7.92771426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a17" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a18 a20" order="S"/>
                        <bond atomRefs2="a18 a21" order="S"/>
                        <bond atomRefs2="a18 a19" order="S"/>
                        <bond atomRefs2="a21 a23" order="S"/>
                        <bond atomRefs2="a21 a22" order="S"/>
                        <bond atomRefs2="a21 a24" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.686,-1.5732,10.7744;-3.3766,-.6422,10.2694;-3.4319,-1.4807,11.8464;-4.7861,-1.671,10.6932;-2.9812,-2.7699,10.1445;-3.2472,-3.7047,10.6784;-1.8871,-2.6519,10.2274;-3.3129,-2.963,8.665;-4.3996,-3.1437,8.5507;-2.7631,-3.8406,8.282;-1.7169,-1.6938,7.4418;-.2225,-.3091,5.9738;.5622,-.92,6.4579;.1192,.7487,6.0362;-.2714,-.6887,4.4808;.712,-.4734,4.0099;-1.0101,-.0383,3.9723;-.629,-2.1565,4.2464;-1.6561,-2.3321,4.6147;.0183,-2.7849,4.8842;-.5155,-2.623,2.7921;-.7218,-3.7093,2.7485;.5288,-2.4963,2.4439;-1.4551,-1.9036,1.8241;-2.5043,-1.988,2.1618;-1.218,-.8278,1.7533;-1.3907,-2.3286,.8055;-.8843,-2.5579,7.7624;-1.501,-.5075,6.733;-2.3829,.0769,6.4504;-3.0335,-1.8377,7.8791;-.4324,.006,11.7665;-.0618,.2658,12.7762;-.531,-1.0931,11.7085;-1.4385,.4313,11.6296;.5111,.5143,10.6777;.6178,1.6137,10.7659;1.5212,.0941,10.8465;.0699,.1452,9.2526;-.1465,-.9392,9.1979;.9007,.3217,8.5476;-1.1336,.9424,8.7714;-2.1599,1.0745,9.4209;-.921,1.6447,7.9277;</scalar>
</formula>
</molecule>
                  <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" id="irc-center.0" units="nonsi:hartree">-774.605324858530</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="126">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="126">-50.54654731 31.36327702 32.66216647 40.56272103 53.00375155 58.86309552 76.61287015 85.52651002 101.12581997 118.91567440 128.55987344 141.63140825 148.10949580 160.18700412 185.77346734 193.92822375 228.93101619 241.90326057 275.50450304 282.51390387 290.02186719 300.52287892 315.29123265 360.02414737 383.82755829 411.17295577 441.06239387 460.23707980 525.42013358 543.06583017 569.03499063 674.08392325 720.16083810 757.09385746 780.20701685 790.68600754 794.64714376 806.16103856 825.91468508 863.52126307 887.99613227 893.05966753 893.49719625 920.59742159 934.36707806 954.50966239 956.24693951 979.03934542 1007.96085087 1026.35079531 1039.74208846 1093.48811716 1094.91040660 1112.00999314 1119.91358129 1127.38658633 1135.14297759 1139.84280440 1148.91590292 1182.66307878 1192.45176904 1206.74609978 1228.45575219 1259.44763565 1279.80551524 1301.11230461 1309.16026632 1314.93367663 1324.40882649 1331.12275325 1346.12019878 1367.76479005 1375.36694214 1384.77664204 1385.59920977 1390.21940079 1412.62154061 1418.41966754 1424.89045622 1426.53715976 1429.20643399 1436.29081993 1459.61372591 1466.52200373 1469.55286402 1475.98561330 1480.79648518 1485.04844974 1485.88326841 1485.99355377 1487.80859325 1493.24877462 1493.98732049 1501.65320160 1504.96274535 1512.19721594 1523.46662560 1721.04388318 1779.23595234 2917.00927354 2940.64564831 2979.57168331 3003.76343855 3006.61041989 3009.12534892 3010.46755603 3021.05973420 3021.12793411 3022.18540349 3030.67134340 3037.52754204 3043.65816032 3054.25842544 3060.56270858 3066.89246063 3084.05771278 3086.68288425 3097.73511664 3099.38331438 3103.69145942 3104.33658668 3108.74612989 3121.52203881 3137.16069486 3156.17749618 3176.67786437</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">5.01366728 3.00784055 3.77274986 2.98001640 2.92575171 3.32457758 4.08642201 4.28424722 3.29422290 2.38743869 4.15645666 2.01830835 3.05034579 2.60990372 2.39305505 2.44612981 2.10818030 1.84403979 1.88457864 2.57823499 1.35723869 1.68009134 1.92563706 2.22953785 2.85388265 2.38538594 2.58263385 2.66874577 2.55993249 2.20070134 1.96949047 2.16934536 1.47617547 1.29756909 2.99203092 1.40398647 1.66713978 1.40148625 1.68570587 2.31592543 1.97364806 2.26759530 1.83387954 1.76899626 1.40475235 1.32210253 1.75933784 2.33012520 1.71825521 1.72579596 1.69512648 1.79291479 1.76776160 2.05181468 2.16949623 2.06641289 1.86141194 1.87775594 1.81279090 1.87026174 2.09171379 3.30897955 1.44458461 1.36899563 1.24570573 1.23331737 1.19929883 1.18811755 1.19351485 1.19602052 1.24840357 1.36882192 1.27107806 1.35221025 1.38493174 1.44040506 1.33001497 1.48626672 1.38911823 1.45546908 1.26103546 1.32585576 1.09567141 1.12924448 1.10844344 1.10687191 1.06892715 1.11291600 1.08052726 1.07417421 1.08235100 1.05979839 1.06484507 1.06919050 1.08451886 1.97781655 1.13363617 9.44131446 8.99129333 1.08664664 1.07139321 1.06685846 1.05023414 1.06046189 1.05809311 1.06127532 1.04128709 1.04794440 1.06076555 1.06893599 1.09553704 1.07074129 1.10128660 1.09619081 1.09299370 1.10079683 1.10295782 1.10232965 1.10452738 1.10232060 1.10401144 1.09761809 1.10358118 1.10461942 1.10227410 1.08873977</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">-0.0116418516 0.0206602697 -0.0047455490 -0.0103215026 0.0394088427 -0.0325975442 -0.0114584784 0.0038333883 -0.0136062997 -0.0163369171 0.0360600408 0.0135240895 -0.0163192545 0.0001987849 0.0040674113 -0.0293320870 -0.0150029481 0.0192018346 -0.0058107935 -0.0143170334 -0.0149163012 -0.0154189941 0.0185860195 0.0168271409 -0.0191358752 0.0471835835 0.0530210534 -0.0263033490 -0.0087117757 0.0310313205 0.0066715632 0.0227964947 -0.0438333025 0.0642321313 0.0629300500 -0.0702993417 0.0017788196 0.0325160962 -0.0890365587 0.0506886907 0.0881906200 -0.1206693985 0.0792046061 -0.0017613377 0.0186698729 0.0250694657 -0.0304980804 0.0264205116 0.1350991614 0.0121943662 0.0345838121 0.0809215908 -0.0309797802 0.0665167496 0.0738919823 -0.0167839956 0.0966131337 0.0806164104 -0.0693133245 0.0680632363 0.0803037837 -0.0306205425 0.0685431099 0.0795711357 -0.0527268694 0.1031358317 0.0879587425 -0.0512482520 0.0326849700 0.0733791444 0.0270187039 0.0686724842 0.0609849183 0.0446996277 0.1012810970 0.0812340721 0.0478711083 0.0342350644 0.0719408591 0.0341649974 0.0708950075 -0.1135669528 -0.0595126672 -0.0373292784 0.1649834631 0.1400011282 -0.0614762556 0.1519767626 0.1493631155 -0.0603843127 -0.0058523519 0.0548825629 -0.0178505905 0.0462879377 0.1102944717 0.1802220715 0.0588908365 0.1841883027 0.3213697633 0.1887989826 0.1129533994 0.1220423429 -0.0672930605 0.0828748980 0.1757323914 -0.0196473269 0.0378110458 0.0788762713 -0.1643051762 0.0386698756 0.1393647279 0.0763787380 0.0677679774 0.0879975645 -0.0189688521 -0.0916995754 -0.0990315286 0.1521222651 -0.1047538842 -0.1381930692 -0.0449782574 -0.1534145538 -0.1855492874 -0.1614624124 -0.1170406929 -0.1124047053 -0.2072870591 -0.1586134899 -0.0742489330 0.0058796600 0.0829552607 -0.1390639616 0.0603712224 0.0394903094 -0.0161194669 0.0351193747 0.0275199991 -0.0126578681 0.0575098917 0.0679140549 -0.0095419912 0.0785152499 0.0367623119 -0.0197725293 0.0746552477 0.0207070542 -0.0222531624 0.1029920306 0.0345579426 -0.0249943634 0.0540583220 0.0240210533 -0.0179556803 0.0801148576 -0.0235747767 -0.0321944870 0.1028702046 -0.0290047708 -0.0382156019 0.0925448112 -0.0360608002 -0.0375019910 0.0200676378 -0.0548523972 -0.0275038646 -0.0117329658 -0.0753257443 -0.0316019865 -0.0294212229 -0.1096865543 -0.0391258547 0.0135706182 -0.0645536523 -0.0636883991 -0.0142205538 -0.0403423333 0.0027709085 0.0007454407 -0.0585748974 -0.0508579654 -0.0056263006 0.0400621237 0.0079008624 -0.0516432409 -0.0794868291 0.0970525371 -0.1364200688 -0.0570541575 0.2048739579 0.0052850704 -0.2041165300 0.1243694583 -0.0566960818 0.0116877179 0.0238793725 -0.0841233220 -0.0619724659 0.1476939691 0.0426603201 -0.0449815295 -0.1334094026 -0.1532652053 0.2740859681 -0.0080205645 -0.2494547216 0.3431334021 0.1525438461 -0.1293527189 0.3611571842 -0.1508714306 -0.1577318965 0.3262799317 -0.0493261200 0.0362207708 -0.0458973032 -0.0278533747 -0.0178604536 -0.0761514992 -0.0261024919 -0.0173325428 -0.0782376657 -0.0264915493 0.0442695105 -0.0462836832 -0.0293620316 0.0194621991 0.0604915207 0.0435698487 0.0078085904 0.0905727453 0.0437200801 0.0543902002 0.0385545001 0.0580729249 0.0269081524 0.0813042005 0.0514255071 -0.0184184265 0.0208446183 0.0138058387 -0.0547885740 0.0429195973 0.0009561350 -0.0231976038 0.0015119004 0.0063814958 -0.0050104803 -0.0219852109 0.0082625882 0.0283709187 -0.0370274191 0.0184567466 -0.0278682536 -0.0516466897 -0.0079054641 -0.0090305347 -0.0093737529 0.0085887927 -0.0017139590 0.0168960843 0.0235770194 -0.0475405205 -0.0387976457 -0.0066392143 -0.0426105975 0.0001713793 0.1142788850 -0.0811240516 -0.0109053933 0.1063164206 -0.0149218211 0.0060106253 0.2037936329 -0.1033337580 -0.0149208071 0.0979253834 0.0536520809 0.0265775141 0.0331491568 0.1051228623 0.0440009482 0.0403784541 0.1057495747 0.0450575529 0.0546738603 0.0224453360 0.0087312310 -0.0909101505 -0.0267245369 -0.0172880731 -0.1277126860 0.0945557396 0.0425630292 -0.1458208704 -0.0029788089 -0.0011033324 -0.1046355788 -0.0295744693 -0.0161190537 -0.1189573589 -0.0434533747 -0.0558816195 -0.1260987081 0.0072235479 -0.0074830623 -0.1515240923 -0.0347148363 0.0328074186 -0.0746604620 -0.0256489699 0.0362147686 -0.0780934858 -0.0010139530 0.0651269182 -0.0642307864 -0.0890858946 0.0280268389 -0.0273189039 -0.0162354031 0.0374990353 -0.0718100828 -0.1953004751 0.0383184199 -0.0745344228 -0.0970129779 -0.0017131188 0.1351286716 -0.1417736368 0.0097911248 0.1342636347 -0.1815139990 0.0046803360 0.2071352261 0.0560069524 -0.0603349316 0.2124862231 0.1467309107 -0.0666142918 0.1405582824 0.0947741000 -0.0752117776 0.2287870156 0.0471778772 -0.0864591530 0.3269638553 0.0706998535 0.0278206844 -0.1034279413 -0.0633961488 -0.0341146621 -0.1077141364 -0.0906099140 -0.0448717745 -0.1114289996 -0.0339153078 -0.0195893633 -0.0988530070 0.0603238169 -0.0535872999 0.1127524730 0.0758894111 -0.0752812763 0.1379351868 0.0773216173 -0.0741896649 0.1327069035 0.0160268993 -0.0173023217 0.1292738012 0.0775506673 -0.0431561621 0.0312694781 0.0670689477 -0.0201511897 0.0061736587 0.1181278679 -0.0850360235 0.0142771303 0.0574037383 -0.0064171114 0.0017064441 0.0531648377 -0.0186520750 0.0212415077 0.0782545143 -0.0045449252 -0.0430581823 0.0044803688 0.0406880285 0.0003011835 -0.0220863498 0.0731691051 0.0558275305 -0.0712397921 0.0007548232 -0.0553912329 0.0355193981 0.0991920766 -0.1784760405 0.0582407267 0.1169578391 -0.1928457586 0.0061026296 0.1021094943 -0.2680860637 0.1095887361 0.1394106518 -0.1334050615 -0.0514472746 0.0125401902 -0.0889274649 -0.0760540959 -0.0118822217 -0.0673053363 -0.1271398954 -0.0291216737 -0.1387077614 -0.0134764641 0.0015731611 0.0435617345 0.0623599843 0.0314705228 0.0877436262 -0.0805270852 -0.0579384098 0.1007749737 -0.0388202848 -0.0117299545 0.0343873349 -0.0316036508 -0.0072933607 0.0123909835 -0.0228495395 -0.0130215230 0.0137036379 -0.0304446707 -0.0064810780 0.0102073676 -0.0349231675 0.0038602386 -0.0033130788 -0.0250865724 0.0164367451 0.0094074266 -0.0422850468 -0.0146936916 -0.0059485646 -0.0390605911 0.0219186786 -0.0327605035 -0.0279505408 0.0096144206 -0.0625597008 -0.0511449310 0.0520060818 -0.0385397259 -0.0396198283 0.0171055869 -0.0193410589 -0.0416601148 0.0433591298 -0.0591023092 -0.0534822412 0.0412308106 0.0264621605 -0.0207859090 -0.0528235004 -0.0144675178 -0.0092513164 -0.0818821861 -0.0618232371 -0.0160335284 -0.0820301631 0.0311669140 -0.0219084065 -0.0503417198 -0.0091933769 -0.0804412299 -0.0469674088 0.0321624476 -0.0411495404 -0.0083162039 0.0227070896 0.0013987911 0.0296778248 0.0321866324 0.0198997922 0.0192670905 0.0433056472 0.1288025707 0.0220296189 0.1563745686 0.1012925178 0.0438550812 0.0909285403 0.1924603454 -0.1187773602 0.3090980564 0.1565819212 0.2067147650 0.2276419785 0.0504506167 -0.0718126467 -0.0492027650 -0.0342350466 0.0532365551 -0.1731691741 0.0543091715 -0.2343624088 -0.1132460205 0.0710160191 -0.1156881843 -0.0256600262 0.1305516103 -0.1871460380 0.0648639013 0.0349891396 -0.1927300660 -0.1227807677 0.0526254273 0.0315690602 -0.0062722061 0.0227909659 0.0797635451 0.0695601509 0.0235417416 0.0571579896 -0.0850708830 0.0668956459 0.0156213252 0.0736348068 0.0415168870 0.0003221042 0.0822832021 0.0670881431 0.0438155694 0.0889427244 0.0759709194 0.0015318394 0.0570432779 0.0882588160 0.0201134096 0.0558295491 0.1164088817 0.0417533684 0.0407115446 0.0801142175 0.0350979053 0.0736931736 0.0881519909 -0.0241960326 0.0259804152 0.1018307714 -0.0279036319 0.0217895997 0.1126391905 -0.0377895503 0.0133162358 0.0010841859 -0.0682232517 0.0090741782 0.0214922109 -0.0421916789 0.0228872672 0.0100633999 -0.0399183778 0.0199448773 0.0616033330 -0.0536660588 0.0286726653 0.0157417839 0.0202606328 0.0403641593 0.0462128493 0.0960677812 0.1535591879 0.0455981542 -0.0857953018 0.0450566499 -0.0698280844 0.1295430635 -0.0978072171 -0.0662740831 0.0430796557 -0.2440723517 -0.1369150885 0.2531462433 -0.1300595270 -0.0828146099 0.1990530733 -0.0237455803 -0.1555353934 0.3146279693 -0.1743338949 -0.0921390276 0.3189581178 0.1604516293 0.0069653512 -0.0247965018 0.0073282145 0.0125095989 -0.1601483815 -0.1795899501 0.0897425908 -0.1416669162 0.1780722764 -0.0106601327 0.0483523159 0.0457734552 -0.0257372523 -0.0851400221 0.0097561764 0.0028870835 -0.0642390187 0.0079962515 0.0278130452 -0.0518063806 0.0116815394 0.0424340950 -0.0430239826 0.0162837861 -0.0115556359 0.0961885628 -0.0273211668 -0.0306958465 0.1595408553 -0.0086432221 0.0484985188 0.0894334505 -0.0415081008 -0.0020144161 0.0858457539 -0.0314769105 -0.0764909142 0.0322087763 -0.0284467830 -0.1292464006 0.0485749942 -0.0269780384 -0.0994609577 0.0326731095 -0.0278981153 -0.0465458039 -0.0542707541 -0.0288202468 0.0088739107 -0.0700511212 -0.0251677009 -0.0897822545 -0.0986823076 -0.0310134583 -0.0266126141 -0.0608244708 -0.0271208869 -0.0074184299 -0.0522601758 -0.0387902577 -0.0146531212 -0.0566611136 -0.0149737097 -0.0241884799 -0.0034601582 0.1550363353 -0.0527257046 -0.0366147507 0.1916752517 0.0104611874 0.0025095752 0.2660706539 -0.1101672396 -0.0652448285 0.0847396986 0.0784313743 0.1161549963 0.0444706299 0.1274749905 0.1746804345 -0.0139153323 0.1453034005 0.1876848813 0.1290887696 0.0434438476 0.0775054371 -0.1111486038 -0.0150773755 0.0126416549 -0.2009315243 0.1174635512 0.1750769465 -0.1806990972 -0.0398966058 0.0352434337 -0.0125520674 -0.0402288283 0.0231830908 0.1238564718 -0.0699082450 0.0990607063 0.1223333445 -0.0643917184 0.0012358914 0.1788307387 -0.0314643300 -0.0412649305 0.1386612150 -0.0697978519 -0.0383671200 0.1888630116 -0.0184644045 -0.1068933181 0.1404183933 0.0098011065 -0.0236070138 0.0758672021 -0.0285878190 -0.0408693118 0.0787057350 0.0765493053 0.0009702294 0.1048820833 0.0163460475 -0.0151128077 -0.0336302524 0.0540630633 -0.0021147262 -0.0679274183 0.0631517089 -0.0014968633 -0.0481438237 -0.0831069079 -0.0360247694 -0.0884505640 -0.1421952245 -0.0585258744 -0.0774966998 -0.1080826185 -0.0516604872 -0.0585324773 -0.0773710367 -0.0136609278 -0.1713763644 -0.1107864316 0.0619590599 -0.0160876026 0.0165111926 0.0208793795 0.0416076549 0.0858791627 -0.0060053665 0.0416339338 -0.0059838800 0.0154876381 -0.0641039198 0.0573580931 -0.0726062825 0.0112194639 0.0668384446 -0.0664094897 0.0524016172 0.1084377056 -0.0964777040 0.0225397079 0.0066027481 -0.0388196556 0.0273636850 0.0458644354 -0.0907153386 -0.0793807388 0.0214828675 -0.0492836404 -0.1221084079 0.0656401899 -0.1504537625 -0.1033925526 0.0423199543 -0.0830913584 -0.0794670902 0.0539441626 -0.1102747945 -0.0394560424 0.0414842514 -0.1044669116 -0.1295768383 0.0241745856 -0.0039923139 -0.0675007446 0.0090994074 0.0163590344 -0.0281941776 0.0471708169 0.0488886888 -0.1078481889 0.1721563163 0.0437970798 -0.0789489124 0.1876240645 0.0052012202 -0.0011173547 0.1449031017 0.0763903243 -0.1450382984 0.2372011856 -0.0019615470 -0.1336344668 0.0845446239 0.1050839023 -0.0267799730 0.0349024184 0.1237773272 -0.0891457258 0.0380903956 0.1305178083 0.0056534709 0.1096042341 0.1043149494 0.0612371506 0.1560136241 0.1311507993 0.0999653420 0.0682289983 0.0574042203 0.0995621257 0.0125903742 0.0494898428 0.0179551769 -0.0511133884 0.0206923381 -0.0415856574 -0.0429799256 -0.0009541517 -0.0413883513 -0.0588276686 0.0316587272 -0.0610859395 -0.0519291947 0.0195442559 -0.0452582251 -0.0493261608 0.0141456618 -0.0585896914 -0.0547991758 0.0355091840 -0.0456041278 -0.0557082365 0.0116006194 -0.0277983726 -0.0383367244 0.0185229693 -0.0303255335 -0.0755440044 0.0083725341 -0.0364402634 -0.0573550135 -0.0008117672 0.0030929410 -0.0613863182 -0.0047614398 0.0107071142 -0.0753231631 -0.0064520505 0.0080862515 -0.0318256605 -0.0021811110 0.0168733289 -0.0124731582 0.0048952488 0.0129055265 -0.0315108968 0.0013681366 0.0110749507 -0.0320244283 -0.0141153340 0.0368685559 -0.0127422259 0.0141817184 0.0174798252 -0.0409993456 0.0455036950 -0.0096813722 -0.0296298885 0.0759266222 -0.0040207958 0.1257643190 0.1277882733 0.0428060999 -0.0799829751 -0.2399189650 -0.0318457006 -0.0388755175 -0.3191153159 0.0040413443 -0.1643438445 -0.1539005444 -0.1068749587 -0.1229944729 -0.3312095147 -0.0667241791 0.0356484574 -0.1193315769 0.0639655541 0.1283315795 -0.2063811295 0.1359091049 0.0781368233 -0.0295977222 0.0985230864 -0.0155218986 0.0016582723 0.0258881180 -0.0922864997 0.0524263080 -0.0240426642 0.0588153288 0.0890432369 0.0565457241 -0.0581524818 -0.0530604564 0.0131474491 -0.1002747794 -0.1169135759 -0.0005664557 -0.0199774390 -0.0233669165 0.0276944593 0.0492123316 -0.1687856957 0.0463822390 0.1167996506 -0.1863532623 0.1201538214 0.0513967754 -0.2040406609 0.0315628957 0.0177841766 -0.2287562090 -0.0228795492 -0.0038040919 -0.0130023793 0.0463661627 -0.0824860264 -0.0020707334 -0.0236493574 0.0501291539 0.0365778924 0.1050269952 -0.0201512006 0.0699691645 0.0473464273 -0.0671377607 0.0717059465 0.0490425339 -0.0252072774 0.0991520082 0.0445861183 -0.0386968639 0.0611147920 0.0077973693 -0.0896683422 0.0309709682 -0.0501843908 -0.0647915391 0.0074985228 -0.0459827560 -0.1005329563 0.0410764387 -0.0651465240 -0.0971061269 0.0317023761 -0.0831189048 -0.0867026765 0.0003559869 -0.1569876393 -0.1290379758 0.1025211171 -0.0895311786 -0.0720423771 -0.0207577679 -0.0064976787 -0.0424377278 0.0245755908 0.0442322948 -0.0755645211 -0.0701610012 -0.0070158553 -0.0684742357 -0.0765583612 0.0099281035 -0.0373868153 -0.1174821880 0.0611157150 -0.1017111347 -0.1243102536 -0.0362422839 -0.0638766428 -0.0293817749 0.0164954157 -0.0295596978 0.0229729831 0.0632495787 -0.1030544151 0.0083553014 -0.0363103567 -0.0558303074 -0.0819111704 0.0274252399 -0.0343627192 0.0372110480 0.0064032075 -0.1053090818 0.0382247646 -0.0151204470 -0.0929090734 0.0688546469 -0.0089022052 0.0286589091 0.1055160344 0.0326841088 0.1290293155 0.1795207087 -0.0397902959 0.0910546509 0.2814528855 -0.0336599714 0.2024296615 0.1762687303 -0.0636250360 0.1772199468 0.1463255946 -0.0538734532 0.0270749800 0.0832058764 -0.0036411377 -0.0358258848 0.1036450010 -0.0026442575 -0.0325602333 0.0925223455 0.0016124263 0.0754552012 -0.0443281409 0.0238806053 0.1307991328 -0.0605253025 0.0265969667 0.0026746959 -0.1034913957 0.0569402511 0.1480867371 -0.0817004713 0.0185279195 0.1124765657 -0.1883186144 -0.0571368651 0.1789943713 -0.0979084676 0.0826200591 0.0245004451 -0.1315034636 -0.0278316169 0.0690525671 -0.0673112500 -0.1061234475 0.0341555495 -0.2197287845 -0.0458281098 -0.0229640005 -0.0647513022 0.0509898130 0.0013931081 -0.1853003479 0.0035915968 -0.0727887546 -0.2772972973 0.0977106658 0.0718868724 -0.2560145945 -0.0837490843 -0.0201749344 -0.0185666028 0.0411253145 -0.0969127075 0.0165122142 0.0853962515 -0.0558526791 -0.0059676685 0.0611735191 0.0836486222 0.0484441946 -0.0278014494 -0.0330407095 -0.0033643743 0.0014346822 -0.1064212073 -0.0042844120 -0.0183537455 -0.0327804734 0.0103694972 -0.0257026844 -0.0231197741 -0.0456769175 0.1117325491 -0.0723196064 -0.0338283851 0.1930080183 0.0563611915 -0.1015952697 0.1324906523 -0.0585275180 -0.0145972521 0.0736288815 -0.1165526843 -0.0527718512 0.0589489615 -0.0270880524 -0.0034178053 0.0864252831 -0.0643659838 0.0651954675 0.0028248685 -0.0875039422 0.1517544774 -0.1219551559 0.0023503869 0.1593094678 0.0928958453 -0.1281247402 -0.0742931702 -0.0418031143 -0.2517315765 -0.2276040662 -0.1629221551 -0.0384905167 -0.1843447487 0.1178420680 -0.1462216925 0.0763531454 -0.1174571430 0.1203663927 0.0413795200 -0.0248453394 0.0369814798 0.0326531801 -0.0338852127 0.0421225939 0.0141833249 -0.0365146838 0.0944258189 0.0736859139 -0.0002086250 -0.0002069552 -0.0067549757 0.0836322351 0.0230994172 -0.0563147480 0.0972580156 -0.0119025019 -0.0275634390 0.1135721718 -0.0515866769 0.0363387757 0.1027549302 0.0423257205 0.0297652471 0.0013346359 0.0410545681 0.0371415293 -0.0072598413 0.1051864457 0.0031272387 -0.0105772770 0.0093027574 0.0862260597 -0.0512653845 -0.0083507690 0.1028297284 -0.0716315065 0.0473933457 0.1225168689 -0.0584954525 -0.0348033855 0.0615290702 -0.0596523366 -0.0450559434 0.0515009629 -0.0554305367 -0.0317902693 0.0691989332 -0.0641559514 -0.0469650473 0.1496090096 -0.0012670754 -0.0771500255 0.1677641506 -0.0535768867 -0.0549772936 0.1677088315 -0.0163978545 -0.0099492790 0.1953520439 0.0516004210 -0.0341265225 0.0347754575 0.0191891314 0.0097849886 0.0219368348 0.0683280688 -0.0803492761 -0.0062028882 -0.0296790781 -0.0175288790 -0.0205412155 0.0404756366 0.0302360296 0.0092696852 0.0820312069 -0.0140886505 -0.0945208049 0.0543717351 -0.0096115719 -0.0158293898 -0.0315374780 0.0073138940 -0.0003990186 -0.0542642809 -0.0395771246 -0.0391827364 -0.0703854278 0.0244487036 0.0189525565 -0.1016432216 0.0091840334 -0.0041254645 0.0233125863 -0.0085434221 -0.0215818431 0.0102708132 0.0512141513 0.0382644480 0.0369286068 -0.0225552565 -0.0283682158 0.0817895749 -0.0836239660 -0.0242243741 0.1395249532 0.0182669940 -0.0973416514 0.1010817804 -0.0264146664 0.0370222939 0.0133038667 -0.0403113485 0.1056843142 -0.0873861315 0.0328416673 0.1117067433 0.0800328253 -0.0913295129 -0.0774540559 -0.0300961630 -0.2238308030 -0.2284587827 -0.1420480929 0.0085584065 -0.1819045291 0.1189247570 -0.1116649676 0.0835381857 -0.1031930283 -0.0120895855 -0.0534145465 -0.0286287936 0.0343739234 0.0234639361 -0.0489274976 0.0188700459 0.0273616950 -0.0487906669 -0.0641161606 -0.0195197424 0.0009158691 0.0670039058 -0.0063155040 -0.1278575209 0.0799552473 0.0299234342 -0.0342635947 0.0551681005 0.1396064202 -0.3070531522 0.0511465108 -0.2162868101 -0.2093973243 0.0918122161 0.0353216685 0.0921597530 0.1158381251 -0.0979096974 0.2515544026 0.0955262449 0.2320042803 0.1700441949 0.0834322656 -0.0047209499 0.0181020705 0.1268533914 -0.0026088409 -0.0018826583 0.0768840183 -0.0185132011 0.0010931851 0.0302040214 -0.0217720749 0.0092338214 0.0150299899 -0.0220951790 0.0280383462 0.0288320816 -0.0107693403 -0.0083146630 0.0397594839 -0.1594116058 0.0011876658 0.0601006511 -0.1725115564 0.0400523366 0.0480175292 -0.1788043724 0.0173694328 0.0049108643 -0.1885949186 -0.0327423700 0.0309851205 -0.0784802736 -0.0144423946 -0.0111892151 -0.0817716350 -0.0365725863 0.0868475159 -0.0569388158 0.0084557590 0.0147993149 -0.0030966094 -0.0207756712 -0.0344483391 -0.0114098235 -0.0329296147 -0.0023291037 0.0540877253 -0.0205847953 -0.0604220858 -0.0350391544 -0.0121163776 -0.0104563743 -0.0162628665 0.0080933165 -0.0163416715 0.0126405115 0.0082112737 -0.0361632381 -0.0202343281 0.0271380786 -0.0051665839 -0.0492673011 0.0040957482 -0.0246317792 -0.0248565749 0.0729169018 0.0115839925 -0.1282923474 0.0059103870 -0.0070782790 -0.0043791323 -0.0742919497 0.0241872682 -0.0347550090 -0.1508288858 -0.0490197958 0.0693400721 -0.0931474829 -0.0101860001 -0.0142720823 -0.0159014936 -0.0275927003 -0.0413669522 0.0324374690 -0.0348599782 -0.0410398967 -0.0374836107 0.0415432827 0.0504662901 0.0166265355 0.1122224573 0.1257168555 0.0693150627 0.0058245532 0.1040336718 -0.0627550406 0.0486091361 -0.0241108541 0.0699252202 -0.2727576845 -0.1331838783 -0.0172546995 0.0331162753 0.0081000057 -0.0066295937 0.1394691433 0.0642407074 0.0100571623 0.0964466190 0.0362515141 -0.0144925209 0.0151148019 -0.0013750142 -0.0637642527 0.0637972825 0.0178043181 0.1312385194 0.0393908802 0.1779654471 -0.2988971376 -0.1073581287 -0.2479844740 -0.1541391408 0.0739602344 0.0702805306 0.1077618030 0.0946066916 -0.0667689499 0.2728096340 0.1193665166 0.2612123153 0.1826884458 0.0511440285 0.0546452790 0.0081045474 0.1058622586 0.0361989045 0.0181679828 0.0521276759 0.0308571615 -0.0495438926 -0.0158112168 0.0976457760 0.0113356587 -0.0053685986 0.1745895260 0.0733576326 -0.0674025212 0.0907259313 -0.0535843692 -0.0455101709 0.1084880944 0.0076365360 -0.0472473512 0.1978039789 -0.1476436896 -0.0276806158 0.0286193607 0.0185095363 -0.0929783537 0.2271595311 0.1473979072 -0.0029769809 -0.0677802688 0.0207786632 0.0099370150 -0.1547991013 0.1647142909 0.0286817328 -0.1693506627 -0.1038772004 -0.0160794502 -0.0033443282 0.0185833781 -0.0487804784 0.0166672031 0.0440885768 -0.0193482651 -0.0123288651 0.0217244271 0.0248606074 0.0304325744 -0.0149777461 -0.0571174386 -0.0080694779 0.0587336509 -0.0802941905 0.0688293776 0.0588747355 -0.1011391452 -0.0238583017 0.1113938596 -0.0429601265 -0.0978564272 0.0838863877 -0.1113689316 -0.0438974833 0.2682449953 0.0174490791 -0.3035023680 0.0933882955 -0.0285728477 0.0048327714 -0.1101776899 0.0391538395 -0.0646763388 -0.2817922964 -0.0997970936 0.1890665340 -0.1456836084 -0.0307205294 -0.0365606133 -0.0253844347 -0.0378172269 -0.0920267645 0.0629385654 -0.0809090505 -0.0949593940 -0.0746644011 0.0450076434 0.0770332544 0.0237687979 0.1967437806 0.2434930348 0.1433783950 -0.0687542997 0.1907954930 -0.1376406799 0.0683845417 -0.1059150520 0.1051654735 0.0531460343 0.0477993284 -0.0126529104 0.0030937257 0.0078497346 0.0018531922 0.0076405722 -0.0287033968 -0.0040323663 0.0151420810 0.0315234140 -0.0095416812 0.0409955003 0.0040799855 -0.0525554797 0.0318087906 0.0293510041 -0.0506787543 0.0388897821 0.0324311982 -0.0876683817 0.0682136562 -0.0437123303 -0.0725247570 0.0275465833 -0.0034195285 0.0176229764 0.0223129626 -0.0380010920 0.0639657608 0.0213952139 0.0546599729 0.0407416012 0.0304840451 -0.0357636194 -0.0076994209 0.0614367750 -0.0429127917 -0.0087433423 0.0190584558 -0.0543720086 -0.0263852078 0.0023100005 -0.0284413294 -0.0110440123 -0.0207272031 -0.0432997820 0.0025762010 0.0212309020 0.0001382794 -0.0231040292 -0.0059768862 0.0182146789 0.0135237473 0.0270176764 0.1415683795 -0.1745472098 0.0364306812 -0.1376025127 0.0590085800 -0.1364694525 0.1575938203 0.1787597285 0.0583017310 -0.1331545152 0.0020915778 0.0400687599 -0.2541964431 0.1785741841 0.1685768658 -0.2490594587 -0.1427376622 0.0145682671 0.0207067125 -0.0432720377 -0.0903560906 0.0199129889 -0.0483034471 0.0180099662 0.0863533732 -0.0601028145 0.0084916643 0.0356319146 -0.0387417858 0.0180331093 0.0391620163 -0.0165257434 0.0225951071 0.0232908914 -0.0162822557 0.0484182874 0.0349447581 -0.0216730720 0.0121704603 0.0834409528 -0.0304400480 0.0434672341 0.0520144469 -0.1273365821 -0.0239789263 0.1848713810 -0.0369110899 0.0312415516 0.0244425169 0.0653166449 0.0139449046 0.0709660492 0.1566672715 0.0762129506 -0.0618259023 0.0870047855 0.0389505405 0.0059128711 0.0120882839 0.0728509746 0.0128978462 -0.0115166283 0.0461175142 0.0092475652 0.0117286017 -0.0066997793 -0.0360030078 -0.0158949459 -0.0505410156 -0.0783600602 -0.0427499250 0.0026769638 -0.0672731091 0.0328086120 -0.0084377525 0.0018622496 -0.0592438797 -0.0246087501 0.0381837124 -0.0403668027 -0.0107605193 0.0133835247 -0.0202159063 -0.0130995742 -0.0020597209 -0.0238887326 0.1014827645 0.0752792168 -0.0534184014 -0.0256993459 0.0250498587 -0.1050507817 -0.0759605417 0.0863383476 -0.1964862633 -0.0259724462 -0.0040205377 -0.0685366157 0.1005002688 0.0434665097 -0.1026857718 -0.1081723782 -0.0527425362 -0.0324059803 -0.1208462718 -0.0220191611 -0.0667314513 -0.2134815327 -0.0711100015 -0.0376227905 -0.0417277864 -0.1618505751 0.0624295492 0.0508716091 -0.2269449977 0.1336567904 -0.1237479406 -0.2714629380 -0.0009162989 -0.0224524073 -0.0297886094 0.0862573709 -0.0381997173 0.0289812463 0.1634375808 -0.0255778998 0.0172926227 0.0190422860 -0.0230402199 0.1127720366 0.0333903571 -0.0296676941 0.2073793081 -0.1372418297 0.0022067605 0.0262304298 0.0631892215 -0.0885583228 0.2361810712 0.1790227130 0.0397386073 -0.0704772404 0.0317954696 0.0678482061 -0.1546710504 0.1815660467 0.0778838523 -0.1730997110 -0.0962270710 0.0183999982 -0.0110743085 -0.0005285178 -0.0242035569 0.0060643777 0.0214563914 0.0322286043 -0.0143810431 -0.0090366736 -0.0409465245 -0.0180080789 -0.0475522425 0.0022648875 0.0100172906 -0.0035719696 -0.0043462805 0.0403018914 -0.0032886843 0.0060076798 -0.0037232075 0.0228262750 0.0005739432 0.0117183368 -0.0025934534 0.0010473892 0.0064543945 -0.0139123194 -0.0007228943 0.0245021208 -0.0023060487 0.0047914741 0.0012401040 0.0134621483 0.0024535485 0.0103213622 0.0300834045 0.0140399065 -0.0155590563 0.0184269761 0.0064389093 -0.0047512621 0.0024777124 0.0158896882 -0.0069500349 0.0022615253 0.0071670122 -0.0080607091 -0.0030973681 -0.0063039397 -0.0067203766 -0.0044760469 -0.0140515120 -0.0096475753 -0.0029857542 -0.0092873437 -0.0086368660 -0.0006122306 -0.0056882263 -0.0037365396 -0.0149435522 -0.1511127754 -0.0696500494 -0.0520291349 0.0074156471 -0.0034962465 -0.0353177963 0.0634051354 0.0087720590 -0.0296544029 0.0413966864 0.0264933636 -0.0409218038 -0.0447321042 -0.0322293881 0.0872049033 -0.0701443465 -0.1635355444 -0.1762402962 -0.2086869551 -0.1832277906 0.3390987118 0.0993903524 0.2077432694 0.1726681599 0.0105690195 0.0148854786 -0.0164934747 0.0739264018 0.0819339130 -0.1283617819 0.0020578559 -0.1115739109 -0.0663563240 -0.0130820349 0.1421217023 0.0601090288 -0.1460939765 0.2185777986 -0.0088790321 0.0436923328 0.2536853028 0.1899715417 0.0651177678 -0.0039414648 0.0438143066 0.0905988309 -0.0879987863 -0.0715085254 0.0716807388 -0.0812551364 0.1570860464 -0.0084324165 0.0533372336 -0.0055530831 -0.0256528855 0.1109894826 -0.1179355018 0.0079846011 0.0037381381 0.0180520100 -0.0485307895 0.1374037012 0.0934015491 0.0376718106 -0.0716693902 -0.0085699633 0.0553278402 -0.1324089599 0.0975019325 0.0715813343 -0.1405210448 -0.0937639191 0.0219775745 -0.0310213995 -0.0280828436 -0.0073015190 -0.0505903169 -0.0548417272 0.0243676328 0.0116150962 -0.0396036544 -0.0153822557 -0.0343209113 0.0393384259 0.0025180385 -0.0050294698 0.0935151051 0.0853795117 0.0315898225 0.1182868892 0.0517871962 -0.0482822367 0.1608816491 -0.0327415475 0.1442873236 -0.0567280599 0.1045401394 0.1323086753 -0.2385627147 -0.1814479645 0.3016621370 -0.0924531423 -0.0026683606 0.0830636642 0.0432392021 0.0271213113 0.1523003693 0.1338326815 0.0312437826 0.0066596172 0.0593900411 0.0132146080 -0.0288456791 0.0104275238 0.1147265685 -0.0783178319 0.0483666015 -0.0467380540 -0.0970103753 -0.0463289262 -0.0239930547 -0.0371769784 -0.0092603994 0.0967799652 0.0893376856 0.0773415560 -0.2134875117 0.0311442471 -0.0823903306 0.0155762124 -0.2402072565 -0.0369392652 0.0058962995 0.0167427733 0.0373818906 -0.0989226646 -0.0993836971 0.0688420581 -0.0497107807 -0.1009899625 0.0712184651 0.0418754307 -0.0393064269 0.0016148263 0.0293801809 -0.0013647982 0.0204778277 0.0694917683 0.0390727741 0.2134999011 0.1131101109 0.1048796784 -0.1449139860 -0.1098018316 -0.1541811871 -0.0335536447 0.0493199833 0.0218244827 0.0534225717 0.0159966583 -0.0532374987 0.1632198110 0.1308722948 0.1328008453 0.0961419829 0.0133131520 0.0189395542 -0.0742909249 0.0223893043 0.0229080783 -0.0895451062 0.0407386135 0.0362061011 -0.0966511430 -0.0339026815 -0.0030892629 -0.0864618215 -0.0318137316 0.0023220471 -0.0900857073 -0.0703694902 -0.0413390103 -0.0910003965 -0.0863581415 0.0373036513 0.0146064965 -0.0804112173 0.1065306409 -0.1015842773 -0.0396542484 -0.0670991708 0.1023800977 -0.2200908613 0.1057837598 0.0975363337 0.0055518220 -0.0147341363 -0.0417086146 0.0266485307 -0.0504268661 0.0282272734 0.0680703317 -0.0453564764 -0.0809529603 -0.0138078797 0.0304573142 -0.0907378299 -0.0732763166 -0.0357778661 -0.1831473463 -0.0329399607 0.1780295551 -0.1095331682 0.0260008019 0.0228871859 0.1042068034 0.0227095404 -0.0547037087 -0.0070688410 0.1167108501 -0.1093425110 0.0143128577 -0.0641122749 -0.0177522412 -0.0443091543 0.0234750040 -0.0860442945 -0.1313540958 0.0658029157 -0.1104931477 -0.2299251890 -0.0562999954 0.0031558863 -0.1513993918 -0.0212073522 -0.1117797454 -0.0614494817 -0.0776250708 -0.1166206345 -0.0212498213 -0.0473877296 -0.1875895880 -0.0703896865 -0.0476230716 0.0360861683 0.0030847799 -0.1904931784 0.1014991912 -0.0438973075 0.0199774484 0.1253851855 0.0854503823 0.0166594711 0.0297111570 0.0386573706 -0.1791984084 -0.1894991938 -0.1212116348 0.3239680426 -0.0949140909 0.1789088948 -0.0481622116 0.3627253946 0.0822880409 -0.0375792569 0.0744087874 0.0992965058 0.0353781966 0.0203891587 0.1107187873 0.0226512199 0.0604131516 0.1164394294 0.0686523755 0.0029028734 0.0231321630 0.0101988516 -0.0018994777 0.0022930939 0.0176444808 0.0064109132 0.0388287570 0.0280487704 0.0166380505 -0.0278576904 -0.0170804003 -0.0289352427 -0.0071215334 0.0132122234 0.0018836104 0.0056307601 0.0081920604 -0.0101882802 0.0232693441 0.0288721233 0.0197182822 0.0122427888 0.0049688828 0.0054339799 -0.0158418557 0.0029401179 0.0073106045 -0.0187793862 0.0137575280 0.0128273594 -0.0190972321 0.0007500871 0.0015038115 -0.0163663924 -0.0023767816 -0.0201079198 -0.0296365305 0.0481742841 0.0439860562 -0.0061089783 0.0158998675 -0.0359045484 0.0051801569 0.0503848567 -0.0210046612 0.0045400881 0.0265086090 -0.0807754274 0.0116143442 -0.0259031821 -0.0404815669 0.0006240007 0.0094746770 0.0099450737 -0.0028766114 0.0086974168 0.0331573493 -0.0398491220 0.0041184776 0.0365603114 0.0294964650 0.0086608476 -0.0119091150 -0.0180887211 0.0124247732 -0.0318958760 -0.0448844395 0.0187145805 0.0096224870 -0.0293653301 -0.0018758725 -0.0201375319 0.0244940370 0.0071132813 -0.0114456041 0.0232934040 0.0267484808 -0.0024612570 0.0287976922 0.0050209568 -0.0171971696 0.0355093056 0.0005079420 0.0126473810 -0.0092553069 0.0285842593 0.0145359537 -0.0384394803 -0.0280421486 0.0373724809 -0.0162701618 -0.0039281694 0.0087695624 0.0028893445 -0.0034634529 0.0142059186 0.0118641398 -0.0031386947 -0.0016986837 0.0034125963 -0.0037637170 0.0018963158 0.0029708267 0.0046156252 -0.0003206632 0.0031623705 -0.0098699395 -0.0022554678 0.0012363833 -0.0072540854 -0.0051436891 0.0011162097 0.0215061302 0.0202711527 0.0153674245 -0.0472546281 0.0074707352 -0.0114912935 0.0010823742 -0.0496254926 -0.0023595893 -0.0057639871 -0.0110337741 0.0235943005 0.0005291904 -0.0163338935 0.0239388970 0.0321033969 0.0034287254 0.0293234854 -0.0121024206 -0.0391506636 0.0079202807 0.1050128737 0.0327727635 -0.0937690677 -0.0059714665 -0.0431115986 -0.5797820753 -0.1392090682 -0.1608910003 0.2427171822 0.5114040290 0.3046404627 -0.0051128564 0.0768611170 0.0130979073 -0.0307937053 0.1272104204 0.0413848549 -0.0883038886 0.0174959110 -0.0290158102 -0.0463810321 0.0569672842 0.0755228978 0.0138127096 0.0004287169 0.0968109352 0.0003882670 0.1116163036 0.1273959710 0.0035163440 -0.0596718170 0.0426032442 0.0012294486 -0.1791779054 -0.0441376404 0.0432800647 -0.0539208804 0.0832479235 -0.0412799851 -0.0745582734 0.0009360718 0.0101835972 -0.0883834813 0.0061982319 -0.0086477950 -0.0458291848 -0.0239693878 0.0864657458 -0.1503411978 -0.0034672448 0.0069012371 -0.0081476530 0.0266864050 -0.0454893802 0.0184435022 0.0478526522 -0.0600269465 -0.0000445397 0.0504361475 -0.0163056153 -0.0024559133 0.0081088774 -0.0565808023 -0.0062861189 -0.0305525280 -0.1101456055 -0.0330966690 0.0904545612 -0.0523631002 0.0547777647 -0.0036085194 0.0523677721 0.0545100836 -0.0263139050 -0.0855115523 0.0073337194 -0.1726435287 -0.1098961213 0.0776383055 0.0387965486 -0.2312812654 0.0413723014 0.0080725593 0.0067740655 0.0513191060 0.0372109819 0.0529432743 0.0942358120 -0.0038687357 0.0226802623 -0.0468442531 0.0420015532 -0.0030317746 -0.0332269684 0.0155186627 -0.0560859426 -0.0936977773 0.0660855448 -0.0245625831 -0.0523160709 0.0036283402 0.0133809404 0.0137260286 -0.0074181963 0.0054099438 -0.0903826430 -0.0237963074 0.0007771057 -0.1014214334 -0.0503572224 -0.0130547586 0.1846231618 0.2221417566 0.1558488183 -0.5184571527 0.0920984543 -0.1605368204 -0.0136490319 -0.5099952280 -0.0595746015 0.0055442104 -0.0270255655 0.0528947384 0.1029266010 0.0569528642 0.0149025732 0.0758481387 0.1111620059 0.0230572514 0.0509599596 -0.0110589629 0.0273080848 -0.0205559737 -0.0053965701 0.0040464884 -0.0160934223 -0.0207960206 -0.0013263818 -0.0299470144 -0.0114624498 0.0151834831 -0.0280200618 0.0072156186 0.0094990586 -0.0122650415 0.0011428711 -0.0077909610 -0.0055073240 0.0111082329 -0.0232949825 -0.0210095122 -0.0163632263 -0.0148496442 -0.0033070723 -0.0029298576 0.0125442291 0.0075353849 -0.0042944176 0.0130681523 -0.0136497793 -0.0111465247 0.0174265813 0.0129254167 -0.0014633084 0.0172075142 0.0224664482 -0.0051583584 0.0108849954 0.0627539859 0.0456221161 0.0271727422 0.0923829245 -0.0196462039 -0.0158905815 0.3412117428 0.1684118505 -0.1693278479 0.1444561139 -0.3815357443 -0.0545764302 -0.1466870773 0.1093030911 0.1397251947 0.0164789034 0.0137961548 0.0293644081 -0.0299185746 -0.0046931235 0.0261192004 0.0432468250 0.0033057514 0.0158002535 0.0014119551 0.0164783124 -0.0012635323 -0.0048846270 0.0038874468 -0.0192801350 0.0494742827 0.0086491711 -0.0321990984 -0.0185833783 0.0111864749 0.0076068409 0.0084774072 0.0070866286 -0.0140906240 0.0106213070 -0.0189458515 -0.0150010443 -0.0062306678 0.0224943226 -0.0393523042 0.0093199149 -0.0116048228 -0.0122368993 0.0052092182 -0.0136557626 -0.0111888422 0.0109711481 -0.0098905379 -0.0115575633 -0.0078416018 -0.0101137243 -0.0081950577 -0.0164007678 -0.0177468117 -0.0131555030 -0.0190985202 -0.0143517705 -0.0129667632 -0.0132248524 0.0056024618 0.0025110975 -0.0216297345 0.0136335472 -0.0065921643 -0.0089161198 0.0141247926 0.0120517042 -0.0148006862 -0.0054644969 0.0021336026 0.0232448791 0.0267003015 0.0190855881 -0.0666473215 0.0103025048 -0.0131930853 -0.0039118554 -0.0636921686 -0.0014008183 -0.0086357328 0.0447206522 0.0100605866 0.0257861652 0.0326473542 0.0147673827 -0.0298144689 0.0120288659 0.0078413282 -0.0880119109 -0.0285370685 -0.0082902085 -0.0120183250 -0.0132596988 0.0103883872 -0.0898706387 -0.0737587907 -0.3421146723 -0.2180391672 -0.1134211029 0.2137920930 0.2818548906 0.1375668083 0.0536721905 -0.0187376970 -0.0089758377 0.1245519119 -0.0572026334 -0.1060636287 0.2649180556 0.0425845695 0.1403855793 0.1826595700 -0.0350169919 -0.0619226178 -0.0291226805 0.0438077423 -0.0695372080 -0.0474244090 -0.0422892706 -0.0887426294 -0.0748418398 -0.0396336742 -0.0456049705 -0.0403119212 0.0893537469 0.0743589110 -0.0568685896 -0.0479416239 -0.0625604845 -0.0330502926 -0.1560466930 -0.0081701333 0.0255240376 -0.2705351038 -0.0956879881 0.0952313123 -0.1365852810 0.1153702992 0.1555507261 -0.1668425192 -0.0952930718 -0.0752217239 -0.0453313922 0.0554849756 -0.0692600912 -0.0004798739 0.1110840789 -0.1240566130 -0.0811894525 0.1137819304 0.0041040539 -0.0073427191 0.0308575064 -0.0086948558 0.0286776328 0.0291269753 -0.0083834220 -0.1048838883 0.0721514027 0.0496418564 0.0209795327 -0.0193352110 0.0037042412 -0.0326421932 -0.0196498535 -0.0340022121 -0.0845964877 -0.0793463605 -0.0528358964 0.0563200237 -0.0149141186 -0.0822560364 -0.0235468028 0.0306207546 0.0638003844 -0.0577778869 0.0408256335 0.1248064614 0.0453215784 -0.0190938297 0.0806316458 0.0237907589 0.0395465433 0.0249470775 0.0571101734 0.0491948231 0.0114139212 0.0520584645 0.0838171588 0.0362065963 0.0447971366 -0.0247740200 -0.0137420965 0.0851506687 -0.0572366197 0.0209882214 0.0254550237 -0.0607911421 -0.0527472704 0.0496937963 0.0158365558 -0.0140984073 -0.0653159251 -0.0771692453 -0.0596454449 0.2080725117 -0.0272067853 0.0247842967 0.0167452625 0.1917254414 -0.0013371574 0.0437365900 -0.0810134923 0.0035968510 -0.0933516639 -0.0598670082 -0.0348361608 -0.0890810806 -0.0396725984 -0.0312445752 0.1461891029 0.0760640992 0.0470135039 0.0072900487 -0.0010951318 -0.0006200411 -0.0685452830 -0.0508836333 -0.3306606155 -0.1781823670 -0.1010993078 0.1955031394 0.2829854783 0.1437856492 0.0423451162 -0.0060020635 -0.0045683202 0.0958603325 -0.0356488728 -0.0768439342 0.2006894683 0.0342062346 0.1094381954 0.1407299809 -0.0211443574 -0.0416694703 -0.0214181004 0.0307980787 -0.0482241543 -0.0334552698 -0.0239206927 -0.0582576370 -0.0534006545 -0.0299836527 -0.0394589346 -0.0355375592 0.0462045040 0.0373919543 -0.0520993746 -0.1058390219 -0.1228755891 -0.0349807590 -0.0066024585 0.0122359822 0.0122044308 -0.2816501328 -0.2269173203 0.2393197836 -0.1160679076 0.5036511898 -0.0559641398 0.4048200540 -0.1540351540 -0.1913175738 -0.0030585224 -0.0455353068 0.0251369016 0.0197453519 -0.0429674644 0.0370882830 -0.0254166453 -0.0555313064 0.0129860096 -0.0081173676 -0.0280095567 0.0209163640 -0.0370053906 0.0011399720 0.0585414156 -0.0028303909 -0.0556112606 0.0222198091 0.0167842651 0.0229559144 -0.0231523072 0.0184951418 0.0087794822 0.0554305487 0.0727143915 0.1025272643 0.0777059983 -0.0478505871 -0.0179470354 0.1406160259 0.0103205487 -0.0178960997 -0.0565452790 0.0575503816 -0.0305248614 -0.1365073831 -0.0757860742 0.0443353494 -0.0781192790 -0.0133589325 -0.0348114871 -0.0136513534 -0.0491726401 -0.0336516007 0.0193873258 -0.0189743809 -0.0876653157 -0.0148504926 -0.0284208880 0.0251244815 0.0078601034 -0.0683187296 0.0552917528 -0.0233332514 -0.0070260489 0.0603614461 0.0443334672 -0.0238714961 -0.0084773118 0.0121727749 0.0616807576 0.0535642599 0.0364263960 -0.1309178527 0.0182759513 -0.0106858425 -0.0016932675 -0.1313151797 0.0109696986 -0.0168919176 0.0447982122 -0.0234680327 0.0529836553 0.0146125627 0.0170877752 0.0657182545 -0.0265651100 0.0102813156 0.0148080901 0.0185283301 -0.0311756487 -0.0055695495 -0.0019099864 -0.0032271806 -0.0418610148 -0.0433969901 -0.1853073878 -0.1150642350 -0.0614243581 0.1125579806 0.1327186314 0.0892780774 0.0259480600 -0.0069226187 -0.0002461521 0.0395623124 -0.0207972070 -0.0327183985 0.0869303117 0.0079705923 0.0499932281 0.0591271099 -0.0059173545 -0.0319495529 -0.0113579063 0.0384718335 -0.0365420032 -0.0196151710 -0.0165777435 -0.0518109586 -0.0334102153 -0.0150211796 -0.0220058369 -0.0135880768 0.0284860021 0.0244795890 -0.0112520341 -0.0057834594 -0.0077284959 -0.0192899617 0.0138659463 0.0033377569 -0.0004481917 -0.0421096094 -0.0398942464 0.0372434237 -0.0097973584 0.1017773398 -0.0195564533 0.1013428540 -0.0228122963 -0.0331484352 0.0154147730 -0.0201800544 0.0038898992 0.0230981117 -0.0245518884 0.0157751284 0.0200042168 -0.0287178323 -0.0067877041 0.0064173626 -0.0213239085 -0.0173057401 -0.0085199760 -0.0312237035 -0.0322917039 0.0221750931 -0.0052545390 -0.0312437701 0.0218872011 -0.0010326150 0.0128260899 0.0354096912 0.0258403475 0.0090778787 0.0357094979 0.0358723937 0.0099667251 0.0331749618 0.0231947633 0.0136710868 0.0088138119 0.0558980347 0.0011518550 0.0350971861 0.1049094164 0.0674202813 0.0264768695 -0.0053730178 0.0040062153 -0.0210126839 0.0973272659 -0.0696633915 0.1641785213 0.0959785068 -0.2247140802 -0.1619171799 0.2464561601 -0.1353677316 -0.0195013618 -0.1351466126 0.0382446023 0.1171763261 -0.2651316959 0.1853657941 -0.1429481041 -0.2993932480 -0.1144360238 -0.0980859654 -0.0008516094 0.0094885676 -0.4242929996 -0.1862594618 -0.0141606424 0.1799959594 -0.0717049540 0.0718493854 -0.1565211082 0.3807152247 -0.0788564573 -0.0004622818 0.0003330293 0.0153787430 0.0701095248 0.0381648426 0.0108196355 0.0736666166 0.0472079579 0.0131393807 -0.0140342504 -0.0332724907 -0.0059765761 -0.0124682931 -0.0025194430 0.0006198706 -0.0139595042 -0.0229297783 -0.0320517536 -0.0404873609 -0.0137198377 0.0251175556 0.0043655026 0.0181401680 0.0080024842 -0.0042308767 0.0047290580 0.0034188153 -0.0049420166 0.0001824500 0.0095637171 -0.0026481610 0.0099364536 0.0053126788 0.0011631934 -0.0084332719 -0.0011144500 0.0217918579 -0.0130703755 0.0001286616 -0.0081177210 -0.0207899157 -0.0083809312 0.0016996441 -0.0009492719 0.0016016137 0.0074152042 0.0034554150 0.0052228511 0.0384248917 0.0393109407 0.0012817664 0.0629622512 0.0241582172 -0.0056641362 -0.1012532883 -0.0999023004 0.0976122801 -0.0205303943 0.3244518553 -0.1004700535 0.3597775498 -0.0357772824 -0.0831753419 0.0414846860 -0.0771547832 0.0342267117 0.0270130316 -0.1416227805 0.1239203964 0.1069856410 -0.1418021080 -0.0472753918 -0.0123765632 0.0047978484 -0.0541955292 -0.1252109918 -0.0590259957 -0.1455829866 0.0511302020 0.1337160376 -0.1246850762 -0.0444630920 0.0058475005 0.0612563479 -0.0210415779 -0.0398351419 -0.1397871632 -0.1111812248 -0.3397837992 -0.1871937861 0.0942840023 0.0639068581 -0.4059475709 0.0003793260 0.0029444474 0.0768315605 -0.0856830813 0.0115580763 0.1941801574 0.1545883923 -0.0736246616 0.1171114962 0.0147878193 0.0236846358 0.0343034155 0.0143698675 0.0122643565 0.0140992726 0.0478593960 0.0654915385 0.0483623509 0.0351524532 0.0019733228 -0.0218224107 0.0605288851 -0.0053235575 -0.0202119655 0.0354789128 -0.0046710302 -0.0318532676 0.0476170892 0.0061842634 -0.0226827842 0.0516048400 0.0014931693 -0.0316797574 0.0769433282 0.0048354171 -0.0257426114 0.0420741075 0.0215417004 0.0015513838 -0.0438921244 0.0763601351 0.0575299161 -0.0830875833 0.0026221993 0.0283198059 -0.1513841152 0.0818097621 0.0379093392 -0.0343772161 -0.0350141168 -0.0004267306 0.0124756150 -0.0004133938 -0.0014700309 0.0051446757 0.0041695299 -0.0208677874 0.0041229675 -0.0032772954 0.0051923422 0.0334667762 0.0027952058 -0.0013314674 0.0080845059 -0.0026614819 0.0112364693 0.0075616170 -0.0118463656 0.0233361356 0.0147719454 0.0122119325 0.0172383438 -0.0005116851 0.0051595734 -0.0015574844 -0.0101130708 -0.0025039318 0.0113733656 0.0052202090 0.0065669623 -0.0111085297 0.0026485776 0.0117368811 -0.0043846820 -0.0059840203 -0.0066769530 -0.0186878700 -0.0137766857 -0.0092877831 -0.0002634701 0.0103535324 0.0041866517 -0.0024786765 -0.0062938960 -0.0014423760 -0.0046220365 0.0097434484 0.0180448643 0.0019160882 0.0187928328 0.0060024297 -0.0008494198 0.0201852396 -0.0072674702 -0.0069958173 0.0196102827 -0.0212940639 0.0138525248 0.0448671525 -0.0219599373 -0.0248812393 0.0028555690 0.0039007821 -0.0410804033 -0.0239838255 -0.0394888200 -0.1011192870 0.0238188132 0.0757429029 -0.0691739067 0.0083693750 -0.0073777592 0.0155424386 -0.0466664541 0.0227451770 0.0185192895 -0.0619846715 0.0658940314 0.0168219138 -0.0579711889 0.0119068772 0.0442360305 -0.0527309029 0.0172880554 0.0043954687 -0.0450301958 0.0031535772 -0.0328239984 -0.0771845658 0.0456118428 -0.0021732587 -0.0164223073 -0.0034359208 0.0203484296 -0.0507477172 0.0145751815 0.0790623699 0.0450205694 -0.0425157073 0.0481705982 -0.0090902184 0.0066407366 -0.0284069972 -0.0164216324 0.0097494379 -0.0299848913 -0.0023648325 0.0162300619 -0.0188373480 0.0418904549 0.0062187665 -0.0056363040 0.0758914984 0.0040057500 -0.0323186441 0.0817916663 0.0027784068 -0.0084936230 0.0336250063 0.0116776808 0.0579174211 0.0361524880 -0.0578099664 0.0196650707 0.0018019137 0.0256521415 -0.0142194593 0.0590878973 0.0648262425 -0.0022386794 -0.0184198778 -0.0368069072 0.0168459482 -0.1617008706 -0.0162955021 0.0253257150 -0.0815674350 -0.3099752163 -0.0852670336 -0.4273381768 -0.0361849955 0.1519250320 -0.2081810755 0.0759796597 0.0648764197 0.0224948812 0.1409648949 -0.0079737923 0.0091625786 0.0902803648 0.0619957542 0.0594361863 0.1857012726 0.0106733491 0.0937576174 -0.0588536224 -0.0473039666 0.3442263645 -0.1930174167 0.0695299173 -0.0879355816 -0.2899243544 -0.1590100185 0.1208552427 0.0627475880 -0.0247177590 -0.0383446858 -0.0505074586 0.0361908284 0.2209720192 0.2098619614 -0.0756547352 0.0343195307 0.0129177692 -0.0113003944 -0.0354021821 -0.0298999140 0.0167198527 -0.0012116525 0.1380007411 -0.0542750524 0.1612543198 -0.0002585910 -0.0303743770 0.0366743007 -0.0359065904 -0.0015575949 0.0058384423 -0.1041292580 0.0824761274 0.1517244100 -0.0888334269 -0.0680390694 -0.0285138094 0.0529904184 -0.1194167846 -0.1754975105 -0.0882435699 -0.3192750000 0.0309294136 0.3335066222 -0.2145913092 0.0197255372 -0.0180402354 0.0348544301 -0.0759607408 0.1085858256 0.0303169170 -0.0959383658 0.3131291330 0.0404144611 -0.1521764306 0.0518311146 0.1794716894 -0.0858295203 0.0242359531 -0.0048595169 -0.1017530102 -0.0064316380 -0.0461079139 -0.1166527648 0.0514312172 -0.0137776214 -0.0340923387 -0.0133889618 0.0229410416 -0.0910103543 0.0125056560 0.1141912861 0.0517116775 -0.0814329170 0.0619231834 -0.0308323105 0.0042965357 -0.0401678262 -0.0442666266 0.0080118814 -0.0397668532 -0.0215030210 0.0173423720 -0.0268232917 0.0463880890 0.0061138236 -0.0035389004 0.0988714296 0.0053315830 -0.0412468590 0.1032720655 0.0030117428 -0.0105154515 0.0346570973 0.0111934136 0.0924605223 0.0864269797 -0.1764014456 0.0492393848 0.0626999088 0.1162256729 -0.0645376195 0.0596893142 0.1385009978 -0.0574541951 -0.0358934511 -0.0424382688 0.0585739713 0.0721240380 0.0014773612 -0.0091190101 0.0202243227 0.1558766923 0.0147299562 0.1936694295 0.0062165098 -0.0616328518 0.1283673507 -0.0391597002 -0.0285734042 -0.0267920427 -0.0811132910 0.0257457292 -0.0228863185 -0.0668268077 0.0066052970 -0.0383899207 -0.0847453197 0.0235639913 -0.0608382084 0.0158707135 0.0337468665 -0.1586307446 0.0622009411 0.0017396789 0.0221584663 0.1159439185 0.0697831452 -0.0428252306 -0.0008971119 0.0260920237 0.0343890715 0.0207090230 -0.0326095895 -0.0003970595 0.0080062070 0.0769150732 -0.0423739412 -0.0206755076 0.0057531763 -0.0753352427 -0.0220363944 -0.0128417427 -0.0051891627 -0.0388492553 0.1143719780 -0.1373863816 -0.0327071640 -0.0055958578 0.0286210196 -0.0019635595 -0.0492765929 0.0714919969 0.0391352019 -0.0831105786 -0.0446357931 0.0272654716 -0.0113378749 0.0778571331 -0.0961328207 0.0544499496 0.2466687426 0.0274709860 0.2279700016 0.0227854978 -0.3624626665 0.1468474697 0.0402268600 0.0123394625 0.0051627877 -0.0455761291 -0.0289744805 -0.0051106727 -0.1140880120 -0.1441753365 -0.0329883433 -0.0205873888 0.0329128120 -0.1455968392 -0.0884615021 0.0606656319 0.0360594351 0.0022295630 0.0714297605 -0.0470272981 -0.1143298772 0.1702561521 0.0307970333 -0.1032307506 0.0353233778 0.0644416368 -0.2060363692 0.0672725995 0.2076869032 0.0746140217 -0.0689424597 0.1455570586 -0.0791700195 -0.0363087928 -0.1105062206 0.0035629072 -0.1022358034 -0.0392169415 -0.1312294322 -0.0984300489 -0.1620777019 0.1057843858 0.0059556902 -0.0298466695 0.2067499004 -0.0038204091 -0.1134943239 0.3018773434 0.0037102194 -0.0646415578 0.0660116345 0.0665136589 0.2220895727 -0.0332610325 0.0697416217 0.0064888947 0.1127267347 0.0696548754 0.0284087655 0.1388828417 0.0813946154 0.0334346234 0.0023163480 -0.0497315333 -0.0490857339 0.0213041346 -0.0011284482 -0.0037039479 0.0032441771 0.0459417922 -0.0048465247 0.0560255822 -0.0031686791 -0.0147100682 0.0442908380 -0.0086813778 -0.0077042309 -0.0109085250 -0.0267790666 0.0083794058 -0.0070554259 -0.0215303360 0.0004696204 -0.0153067785 -0.0297818804 0.0067263869 -0.0196593270 0.0017816009 0.0130939108 -0.0368095589 0.0149280207 0.0034568505 -0.0003945634 0.0229949604 0.0149250017 -0.0106253302 0.0089807101 0.0137534693 0.0160104053 0.0047143987 -0.0086609257 0.0675334319 0.0787276716 0.0345478653 0.0414028447 0.0210045108 0.0012614403 0.1424649968 0.0527538984 0.0164737443 0.0011968658 -0.0220900867 -0.1490577262 0.1205099752 0.0454016617 0.0276747055 -0.0638077503 0.0187914847 0.0741768723 -0.0685938574 0.0437628866 0.0317958142 -0.0652896156 0.0376036324 0.0951132130 -0.0853932178 0.0421357110 -0.0261119440 -0.2407652687 -0.0388787735 -0.1434685250 -0.0393198028 0.2449916107 -0.1008723483 0.0340307656 0.0013622304 -0.0151805118 0.0300922800 -0.0711044013 0.0245911844 0.0190596424 -0.1295711878 0.0170648660 0.0635855326 -0.0494812077 -0.0311456060 0.0000154230 0.0221204293 0.0199985580 0.0991417101 0.0525576669 -0.0334223064 -0.0311594068 0.0996030929 0.0131410880 -0.0654626903 0.0237676052 0.0308771019 -0.1300468493 0.0286887916 0.0963693057 0.0206875803 -0.0378090647 0.0702551721 -0.0584196799 -0.0306473416 -0.0607227325 0.0119117249 -0.0850105748 -0.0030760419 -0.1059686865 -0.0878517687 -0.1088537646 0.0438597926 -0.0014913075 -0.0155143699 0.1006824498 -0.0042665735 -0.0589796903 0.1571755015 0.0002680231 -0.0400467848 0.0210775850 0.0331588111 0.1291482581 -0.0009672304 -0.0082594073 -0.0160115870 0.0578991854 -0.0312737309 0.0186095049 0.0748576858 -0.0875111282 0.0083442361 0.0162310567 0.0457428261 0.0138841769 -0.0309692893 0.0074856040 -0.0012541114 0.0284904040 -0.1186394770 0.0373811613 -0.0890190103 -0.0001083615 0.0294801621 -0.1465478173 0.0527729663 0.0226122441 0.0486682039 0.0705129598 -0.0715697929 0.0674255795 0.0953718856 -0.1135771399 0.0248493716 0.0112678119 -0.0957155381 0.0630173794 0.0341373681 -0.0340745628 0.0222456399 0.1543460208 -0.2155492236 0.0621812805 0.0992917047 0.1167963612 -0.0690883782 -0.2060030824 -0.0417175544 0.0359977683 0.0363579104 0.1072583902 -0.2895760466 -0.3813569924 -0.1358227967 0.0504514629 0.0283373813 0.0068383307 0.1862136462 0.0778333227 0.0106003408 -0.0006177084 -0.0444265773 -0.1962637084 0.1479565757 0.0647490729 0.0471152402 -0.0932303320 0.0327004722 0.1034948623 -0.0692157671 0.1080043673 0.0014002580 -0.1424410367 0.0892885520 0.1706977581 -0.1069450294 0.0228579435 -0.0187729076 -0.2855401782 -0.0531228052 -0.1282479146 -0.0466810222 0.2265999851 -0.1045339125 0.0327284817 -0.0010310301 -0.0506380171 0.0593754245 -0.1127125664 0.0381238099 0.0559974939 -0.2060971677 0.0284951852 0.0988479895 -0.0785586179 -0.0500937291 0.0334673354 0.0096474043 0.0176682543 0.1500031423 0.0511041584 -0.0368953934 -0.0072561473 0.0862410484 0.0088497207 -0.0482408989 0.0255999730 0.0225465195 -0.0922561879 0.0227024846 0.0572877383 0.0052039219 -0.0145775971 0.0467295581 -0.0440179950 -0.0249307594 -0.0426358260 0.0226325962 -0.0745048325 0.0082697269 -0.0904225608 -0.0795255928 -0.0884102280 0.0264197420 -0.0029566591 -0.0122458320 0.0671012654 -0.0041916825 -0.0423252338 0.1103729730 -0.0009619463 -0.0312471298 0.0095951377 0.0227953476 0.0921579699 0.0057982083 -0.0188185692 -0.0623048504 0.0489864760 -0.0796397889 0.0254870087 0.1380404893 -0.1381726161 0.0186325711 0.0380551370 0.0580473483 -0.0167250520 0.0213778775 -0.0090542888 0.0016733383 -0.0226941254 0.0955451200 -0.0119481265 0.0773465738 0.0029755764 -0.0342771469 0.1027373905 -0.0538915465 -0.0207951954 -0.0398075410 -0.0569049368 0.0524361839 -0.0486528796 -0.0689655253 0.0732743088 -0.0250926564 -0.0232656385 0.0664944426 -0.0485495075 -0.0233168033 0.0315940983 0.0035005227 -0.1275041438 0.1852414665 -0.0546506023 -0.0894347094 -0.1058602821 0.0558209349 0.1751841282 0.0387205937 -0.0381238229 -0.0342904457 -0.0868556538 0.2401421550 0.3241101984 0.1168565887 -0.0338103849 -0.0286211534 -0.0178779806 -0.1718558391 -0.1042878829 0.0212667976 0.0052654573 0.0738433619 0.1632943529 -0.0987204910 -0.0957692757 -0.0954169114 0.0725014688 -0.0084809076 -0.0841540691 -0.1053577243 -0.2517189785 0.1753520856 0.3056230109 -0.1825433783 -0.2959329671 0.0461090712 0.1763457489 0.0346447855 0.1753437414 0.2080497627 0.0826715031 0.0126408875 0.0503811670 0.0885958052 -0.0675236256 0.0053908621 -0.0167814992 0.1306912198 -0.0048580350 0.0221119337 0.2079878808 0.0203297400 0.0452742928 0.1125849775 -0.0291613352 0.0836126656 0.1240663100 -0.0151681455 0.0134995478 0.1232403352 0.0341492661 0.1093291893 0.2188184495 -0.0437800499 0.0401863412 -0.0659176032 -0.0026333451 0.0223070947 -0.1876512174 -0.0255827846 0.0880648101 -0.0026424041 -0.1198947370 0.0522672159 -0.0920957251 -0.0355337307 -0.0586152975 -0.0018167672 -0.1072946254 0.0171318428 -0.1558366090 -0.1145556199 -0.1267637216 0.0090665231 -0.0114343305 -0.0093545408 0.0943126830 0.0008679126 -0.0522470031 0.1181582343 -0.0022242669 -0.0434205109 -0.0120578296 -0.0016811306 0.1553329851 0.0219218491 -0.0376657031 -0.0146664920 -0.0261689504 -0.0489934548 0.0267251112 -0.0870574410 -0.1252502406 0.0071535131 -0.1236836364 0.0583972873 0.0402000646 -0.0014081506 -0.0004197881 -0.0009946976 0.0003206393 -0.0100793474 -0.0076012245 -0.0127922573 0.0014925383 0.0014039926 -0.0007383255 -0.0007182514 -0.0008993126 0.0034042286 0.0042351595 0.0003546656 0.0075870697 0.0107680870 -0.0098980216 -0.0044775090 -0.0063783452 -0.0033817410 0.0050075122 -0.0008722210 0.0076734579 0.0313067962 -0.0347271122 0.0493965879 -0.0036984051 -0.0295207970 -0.0366632821 -0.0024266718 0.0204714702 0.0054549411 -0.0090768422 -0.0018905331 -0.0172355886 -0.0178840814 -0.0022670914 0.0151492247 0.0123387906 0.0141882250 0.0081410657 0.0631214304 0.0501157312 -0.0219814080 -0.0004848287 -0.0327969779 -0.0596621199 0.0324345531 0.0529236537 0.0533392853 -0.0252109618 -0.0025097789 0.0316959341 0.0771924968 0.1328516202 -0.1106178789 -0.1622204173 0.0958598129 0.1513952777 -0.0099806420 -0.1033457877 -0.0136750167 -0.0695562277 -0.1369917736 -0.0596555707 -0.0037201311 -0.0150010892 -0.0400805230 -0.0191423097 -0.0264880830 0.0294573860 0.0912704240 0.1582468013 -0.0528835429 0.1831676664 0.4484907225 -0.0007635222 0.0093251421 0.0235885175 0.2633754432 0.0994196677 -0.0068555902 -0.0019456400 -0.0869524516 0.0137665554 0.2519263371 0.3437843033 -0.1742369856 0.0624213650 -0.0530752590 -0.0226246600 0.0220309038 -0.1821250102 -0.0218468994 0.1306768856 0.0179121367 -0.1832128063 0.0566942600 -0.0871179078 -0.0270183738 -0.0502914847 -0.0264411826 -0.0791116574 0.0062884010 -0.1290936752 -0.0824692092 -0.0998682055 0.0003117509 -0.0120434683 -0.0045240815 0.0870260294 0.0037747974 -0.0436125967 0.0887000741 -0.0026795763 -0.0344125455 -0.0164631309 -0.0166620439 0.1443069458 -0.0238343847 0.0569937053 0.0268998206 -0.0878833785 -0.0050628116 -0.0582415312 -0.2079948278 0.0850297012 -0.0492916476 0.0908442328 -0.0439685053 0.0088968027 -0.0051285898 0.0040179035 0.0022378888 -0.0072714414 0.0078869205 0.0007083688 -0.0040130194 0.0018706921 0.0047717024 0.0012826330 0.0045517918 0.0020628979 -0.0058142161 -0.0011811814 0.0037079710 -0.0227883382 -0.0176367369 0.0322306366 0.0107601195 0.0280258311 0.0153188434 -0.0031128970 -0.0067711857 -0.0144892038 -0.0385829283 0.0004243073 -0.0159506507 0.0107677058 0.0156637030 0.0095240032 0.0220565246 0.0077889338 -0.0108997922 -0.0117057763 -0.0030357931 0.0068870419 0.0007240190 -0.0075724273 -0.0206339526 0.0031216883 0.0019659687 0.0013047168 0.0145252990 0.0106319069 -0.0061281702 0.0002869407 -0.0091932935 -0.0128146763 0.0047519362 0.0088131957 0.0093816311 -0.0041517780 0.0006303592 0.0054794904 0.0138263496 0.0254949265 -0.0210243771 -0.0257242318 0.0178252542 0.0266399142 -0.0012623352 -0.0196164977 -0.0048966826 -0.0112206940 -0.0188761441 -0.0048528012 -0.0006681807 -0.0118884734 -0.0072122943 0.0026662877 -0.0032454444 0.0024681706 -0.0028348050 0.0170534769 -0.0021207798 0.0034666035 0.0360493504 0.0017255589 -0.0127291632 0.0128646360 0.0149392413 -0.0013082503 0.0014802111 -0.0015840757 -0.0133010690 -0.0012815479 0.0075468526 0.0050263919 -0.0061240801 0.0000442541 -0.0006154219 -0.0013406280 -0.0005325055 -0.0049110617 -0.0010965912 0.0036606413 0.0015403532 -0.0064207610 0.0006049964 -0.0020435288 -0.0004648101 -0.0008177927 -0.0025221959 -0.0005192270 -0.0004073516 -0.0016866431 -0.0004267512 -0.0008276909 -0.0003610807 -0.0001579869 0.0004791891 0.0008162794 -0.0000128940 -0.0001087078 0.0003803237 0.0000155670 0.0000631307 -0.0004840975 -0.0005119687 0.0027303965 -0.0035210302 0.0044370670 0.0104620865 0.0087900876 0.0166431350 -0.0004488628 -0.1199082034 -0.0508539439 -0.0193360050 0.0132197623 -0.0039648405 -0.0050338009 0.0032494148 -0.0152130012 -0.0127806247 0.0549196121 -0.1195926692 0.0249241780 -0.0749850558 0.0366613267 -0.0495290333 -0.0885336767 -0.0609512295 -0.0273654318 0.0538779170 0.0470736157 -0.0165045061 0.1589768718 0.1972550594 -0.2563986480 -0.1176148347 -0.2055626780 -0.1134929795 0.0725702574 -0.0037671756 0.1390648762 0.4079271610 -0.2246482431 0.3596566965 -0.0724140811 -0.3144733764 -0.2528872107 -0.1613337771 0.0095960811 0.0708631330 0.0227489145 0.0169266960 -0.1303753260 -0.2818459064 -0.1922405771 0.1605515273 -0.0141445984 -0.0030286633 -0.0170012666 -0.0505471539 -0.0234622784 -0.0085019832 0.0039358314 0.0109555524 0.0482689611 -0.0568208417 -0.0168033078 -0.0324966006 0.0087688802 0.0055485179 -0.0150776194 -0.0541613795 -0.0553770653 0.0373899130 0.0440292945 -0.0372669515 -0.0679538072 0.0177404844 0.0384006564 0.0453491362 -0.0064765099 -0.1037020811 -0.1463622626 0.0040948946 0.2520324214 0.0050357162 0.0260844728 -0.0439754960 -0.0213419191 -0.0109371727 -0.0521220328 -0.0265226575 -0.0541852076 0.1689504950 -0.0188367411 0.0026270151 -0.1552334953 0.1763583074 -0.0158895034 -0.0017929456 -0.0025797202 0.0243792705 0.0153368481 -0.0158754487 -0.0138892597 0.0129586197 -0.0025341539 -0.0016712272 0.0128931837 0.0084822541 0.0205763202 0.0301302611 0.0182614997 0.0011316005 0.0163489315 0.0098155510 0.0148392066 0.0052238016 0.0070679442 0.0215908906 0.0034026712 0.0074612758 0.0136761377 0.0023767789 0.0032093296 0.0047114844 0.0013952713 -0.0028452147 -0.0048222900 -0.0028304995 -0.0020887092 -0.0078815458 -0.0023599470 0.0055803517 0.0073102671 0.0007412313 -0.0242103559 -0.0455650097 0.1271995234 -0.0438203198 0.0112518969 -0.0687519944 -0.1393753685 0.7112602560 0.3724705592 -0.0219051157 -0.0057100687 -0.0647797952 0.1570787836 -0.0065562971 0.0006605134 0.0029861210 -0.0186215617 0.0251409789 -0.0050863031 -0.0023433535 0.0146794618 -0.0158627482 0.0213419623 -0.0244430153 -0.0087094418 -0.0132340246 -0.0095806689 0.0156923277 -0.0070479459 0.0126010065 -0.0157138843 -0.0343803731 -0.0421584110 0.0040407679 0.0069277451 -0.0032578265 0.0274154310 0.0101265103 -0.0321032167 0.0682590665 -0.0157453140 -0.0389787171 0.0011622762 0.0162764899 0.0130838819 -0.0130377129 -0.0085497281 0.0004185358 -0.0140679337 -0.1355932892 -0.1468613577 -0.0156576923 0.0069260560 0.0032103243 0.0112525701 0.0438202777 0.0111651378 0.0199671384 -0.0046722083 -0.0138402770 -0.0358164599 0.0338796310 0.0072433678 0.0156695007 -0.0113100316 -0.0007298688 0.0106376221 0.0291241769 0.0187740211 0.0071399053 -0.0183052065 0.0085222078 0.0228076257 -0.0157167514 -0.0123312529 -0.0288626208 0.0219413095 0.0874307139 0.1087036155 -0.0078770607 -0.1783515733 0.0041698914 -0.0323435276 0.0289917195 0.0289944401 0.0181089927 0.0295476171 0.0124782178 0.0429112773 -0.1020776338 0.0046031376 0.0536665864 0.0621932088 -0.0739030994 0.0179831360 0.0047385641 -0.0057218871 -0.0391484239 0.0070979168 0.0623636351 0.0630455865 -0.0749344198 0.0041512039 0.0070793053 -0.0141669735 -0.0139305870 -0.0183195227 0.0020177065 0.0329582230 0.0185207581 -0.0715605189 -0.0082831125 -0.0120497253 -0.0022274986 -0.0060020898 -0.0230406383 -0.0045316201 0.0008842376 -0.0168326502 -0.0044479818 -0.0060368889 -0.0071294587 -0.0017120610 0.0055376420 0.0030998306 0.0000415610 0.0007514217 0.0001596407 -0.0019293754 0.0048279431 -0.0087169570 -0.0045722730 0.0200437938 0.0493796999 -0.0552615589 0.0291504056 -0.0848179643 -0.0094348921 0.0470942274 0.7348535736 0.4770040633 0.1810383701 -0.0083084914 0.0351441981 -0.1027224736 -0.0069648362 0.0020961809 0.0031405559 -0.0158977437 0.0182872438 -0.0050009784 -0.0109591756 0.0193670070 -0.0166963243 0.0172934153 -0.0247997885 -0.0092312196 -0.0078699507 -0.0053783292 0.0133259902 -0.0057262371 0.0201419788 -0.0208733623 -0.0279773047 -0.0430353034 -0.0004121594 0.0096119877 -0.0003144922 0.0200405181 -0.0030266495 -0.0170889840 0.0459018583 -0.0017164854 -0.0159964209 0.0148297926 0.0118657276 -0.0012158673 -0.0186300553 -0.0062340147 0.0029988411 -0.0075771244 -0.1434014413 -0.1613512626 -0.0315220747 0.0010324716 -0.0012389420 -0.0024484175 -0.0293038382 0.0033697087 -0.0308784052 0.0055079628 0.0153541744 0.0205974551 -0.0035058815 0.0199817030 0.0223455757 0.0094002076 -0.0098075184 -0.0050707429 0.0147276567 0.0248540864 -0.0550999790 -0.0224431658 0.0237635574 0.0356538885 0.0033961072 -0.0088295289 0.0054607710 -0.0221402518 -0.0289395035 -0.0221805155 0.0064716190 0.0332830223 -0.0059938636 -0.0429801300 -0.0117666349 -0.0092740766 0.0452007919 0.0490316292 0.0115504676 -0.0095434524 -0.0464249949 -0.0114983400 0.1033032839 0.0775967059 -0.0749414634 0.0124880132 0.0238149887 0.0552741121 0.0572669633 -0.0813777494 -0.2090315708 -0.0639579816 0.2990583939 0.0418460487 -0.0008190827 -0.0574179814 0.0387624599 0.1968753767 -0.1447828802 -0.2747641630 -0.1423046583 0.3056028853 -0.0326135945 -0.0433556989 -0.0806664768 -0.0272507395 -0.1891986055 0.1709416996 -0.3571779598 0.1182471557 0.2031381268 0.2698622467 -0.0067177614 -0.0186383586 -0.0156851159 -0.0157976896 0.1240255844 0.1814785746 0.1641060102 0.1337492836 -0.2893538667 -0.0483637182 0.1018805022 0.1563567219 0.0103642789 0.0056420710 -0.0103514034 -0.0122365096 0.0035132153 -0.0050667724 0.0295688633 0.0224997581 0.0004424946 0.0081662529 -0.0009850140 0.0162013570 -0.0012763783 0.0008169208 0.0003145689 -0.0019869818 0.0022460417 0.0000624420 -0.0012021261 0.0011894559 -0.0000217842 0.0003047652 -0.0001591056 -0.0002122896 -0.0006291002 -0.0006480796 0.0006549119 -0.0023842940 -0.0014540516 0.0024502812 -0.0005978900 0.0013380626 0.0016129656 0.0015308110 0.0002488188 0.0013343859 -0.0068865161 -0.0049846396 0.0111818368 0.0027059675 0.0003473259 -0.0003970220 0.0041919699 0.0018557985 -0.0026868040 -0.0028449079 0.0001582070 -0.0009819840 -0.0219866259 -0.0259569855 -0.0031383502 -0.0058668144 0.0141201220 0.0109214464 0.1757338963 -0.0288743630 0.2030828646 -0.0179153272 -0.1064569290 -0.0947160631 -0.0144124284 -0.1308191076 -0.1573274023 -0.0451571866 0.0597977260 0.0205347110 -0.0365617188 -0.1374704708 0.3297582325 0.1110851713 -0.1492954967 -0.2336660153 -0.0129239860 0.0161676238 -0.0260704216 0.1330171035 0.0645216307 0.0445892053 -0.0285132107 -0.1391112805 0.0166776518 0.3319638542 0.1465462511 0.0271580863 0.0036584487 0.0078339699 -0.0259464880 0.0638976563 0.1071573246 0.0011610393 0.0042446298 -0.0437605434 0.0911564106 -0.0198278817 0.0391117733 -0.0122053833 -0.0922723719 0.0677248925 0.1288054616 0.1079665428 -0.0603818075 0.0215653982 0.0023860992 -0.0076096478 0.0041345424 0.0892362777 0.0578658903 0.0405811190 0.0043538388 -0.0182974257 0.0057965254 -0.0086416252 -0.0453882157 -0.0084174111 -0.1052169914 0.1136015106 -0.2150736606 0.0616722680 0.1285153296 0.1932457414 -0.0044006577 -0.0155930557 -0.0001544230 -0.0478342011 0.0707077042 0.1456383432 0.0721001203 0.0826065257 -0.1692120195 -0.0257181767 0.0679783963 0.0522829243 -0.0960067788 -0.0421749785 0.0140613714 -0.0740597259 -0.0674841107 -0.0057185787 -0.0954968449 -0.0892312813 -0.0143216960 -0.0390502638 -0.0494913897 -0.0235757194 -0.0157080826 0.0029231849 0.0125413698 -0.0575159735 0.0615598074 -0.0528206124 -0.0489100386 0.0818479783 -0.0748135527 0.0967991186 -0.1135894076 -0.0405886991 -0.0197902646 -0.0166651114 0.0401421917 -0.0320045675 0.0968278861 -0.1023893854 -0.0377762620 -0.1875128762 -0.0272553331 0.0135814754 0.0014193004 -0.0014926061 0.0641550034 0.0319395705 -0.0610823388 0.0201272597 0.0077083823 0.0016119388 0.0183455013 0.0031727852 -0.0196090438 -0.0087870031 0.0000351792 -0.0013195429 -0.0288022112 -0.0288490273 -0.0490864884 -0.0121982394 0.0114872624 0.0095912065 0.1696111450 -0.0167542436 0.1765481515 -0.0328240438 -0.1041105119 -0.1190160557 -0.0010059473 -0.1158970756 -0.1381427525 -0.0508504997 0.0512051971 0.0279662572 -0.0368685627 -0.1185735326 0.2985705725 0.0706946913 -0.1249430918 -0.1840831057 -0.0023876425 0.0182143286 -0.0241438161 0.1082152644 0.0661392322 0.0471058153 -0.0227170752 -0.1095833694 0.0178251928 -0.0201740061 -0.0546274372 0.0240713849 -0.0054670466 -0.0247375580 -0.0267041907 0.0088413084 0.1305330883 -0.0085512018 -0.0371947366 -0.0874213777 0.1174703881 -0.0086626930 0.0010578860 -0.0047533212 -0.0013791690 0.0110594833 0.0067474089 0.0338482519 0.0155511286 0.0074706893 -0.0105553952 0.0096762990 0.0156840637 0.0317422732 0.0178402886 -0.0061883710 -0.0260827502 0.0431249485 0.0082885215 0.0078836147 -0.0115637414 0.0051984687 -0.0029008839 0.0354655184 -0.0621263781 0.0279115353 0.0384779082 0.0636109373 0.0062559557 -0.0043651587 -0.0075876512 -0.0167121338 0.0220202950 0.0435901553 0.0242227831 0.0275519269 -0.0613899472 0.0012273703 0.0247159354 -0.0071425197 0.0077061458 0.0161850930 0.0324098040 0.0221054909 -0.0052116113 -0.0264689451 0.0196600521 0.0814909449 -0.0104072863 0.0282540445 0.0001669517 -0.0424674549 0.0290747759 -0.0140880674 -0.0276736537 0.0942677307 -0.0701023010 0.1215756635 0.1677149899 -0.2089139541 0.1665622005 -0.1819023625 0.2572104358 0.0929572183 0.0196042710 0.0165196959 -0.0858914292 0.0725402361 -0.2513847125 0.2395123972 0.0725107915 0.4108529745 0.0700319330 -0.0372780200 0.0025486872 -0.0075161563 -0.0428682503 -0.0627939543 0.0972064645 -0.0790985799 -0.0593913069 -0.0587528021 -0.0303990614 0.0130931559 0.0565464160 0.0097454740 -0.0117623714 -0.0009620968 -0.0389234905 -0.0346553706 0.1091158543 0.0147306037 -0.0115873126 -0.0098074595 -0.1707915451 0.0153568277 -0.1791174186 0.0396718802 0.1076915234 0.1347978041 -0.0087501457 0.1176146661 0.1402286096 0.0528853593 -0.0501257738 -0.0300288393 0.0331300857 0.1178710138 -0.3016000026 -0.0661436995 0.1231037153 0.1779543644 -0.0004510401 -0.0177615942 0.0252335262 -0.1103732316 -0.0669093428 -0.0486949077 0.0216027465 0.1107080912 -0.0183107739 0.1060982665 0.0999143191 -0.0258380889 0.0097207805 0.0359741207 0.0294077914 0.0068461929 -0.1522468844 0.0117215078 0.0664423462 0.1048725443 -0.1355279926 -0.0011370765 0.0213899571 -0.0032563135 -0.0472245023 0.0366593870 0.0808959220 0.0006302456 -0.0919846913 -0.0058084432 0.0205636494 -0.0140630969 -0.0323894073 -0.0213016393 0.0264362640 0.0705115943 0.0689472901 -0.1201338568 -0.0089020405 -0.0132264156 -0.0055527358 -0.0119979480 -0.0505329232 0.0048357519 -0.0145330406 -0.0192642499 0.0061868214 0.0091680969 -0.0123299798 -0.0025387774 0.0159956586 -0.0135229874 0.0009471502 0.0217522034 -0.0090642476 0.0009986161 0.0100373653 -0.0145352880 0.0006684902 0.0258059443 -0.0289957194 -0.0265424779 -0.0396209004 -0.0438292380 -0.0151683421 0.0300054866 0.1001807939 -0.0609751568 0.0286457858 -0.0465674598 -0.0103994770 0.0472578555 0.0221961114 -0.0160449030 -0.0244525148 0.0668113434 -0.0318117625 0.1088258571 0.1755737011 -0.1977044529 0.1475871067 -0.1460841794 0.2306691096 0.0839893335 0.0079663253 0.0065319538 -0.0746432988 0.0659944972 -0.2393285865 0.2192389353 0.0590683679 0.3641549811 0.0673260114 -0.0345371433 0.0074614194 -0.0102993227 0.0003054678 -0.0517673302 0.0747867304 -0.0872244636 -0.0705684768 -0.0715344135 -0.0182473098 0.0147125368 0.0517921126 0.0041251615 -0.0127668920 -0.0002639086 -0.1211670076 -0.1291789052 0.0905357172 -0.0069570958 -0.0012477162 -0.0058084735 -0.0020893043 -0.0031738789 0.0014205511 -0.0080506826 -0.0050541580 -0.0103693185 -0.0084623748 -0.0095279982 -0.0154559145 -0.0055624418 0.0039060417 0.0055342012 -0.0236030906 -0.0137373578 0.0211575474 -0.0007106224 -0.0086307003 -0.0091978601 0.0095835261 0.0106044095 0.0117575307 -0.0090173364 -0.0183923689 -0.0276663463 0.0136948774 0.0595544177 -0.0016086604 -0.0685581677 -0.0556735306 -0.0176523109 0.0032445875 -0.0020646936 0.0123965755 0.0346001390 -0.0940482023 0.0115586460 0.0642623376 0.0177289117 -0.0620314267 -0.0550711312 0.0701244450 -0.0348492763 -0.1482140919 0.1982970440 0.3309424664 0.0745563690 -0.3197038239 -0.0096794240 0.0274871265 0.0133023659 -0.0723362106 -0.0288504853 0.2082953141 0.3020002767 0.1965298797 -0.3302977739 0.0097238642 0.0044233168 -0.0546377857 -0.0125981180 -0.1498019947 0.1373473338 -0.2483093733 0.0101598744 0.1453412708 0.2737098409 -0.0107706193 -0.0261039425 0.0336443223 -0.1515972667 0.0713833683 0.2624773978 0.0228357620 0.1013363425 -0.1738042793 -0.0292691405 0.1016480098 -0.0093836463 0.0192125339 0.0177238919 -0.0189667952 0.0572844382 -0.0048559379 0.0313588388 0.0299344059 -0.0836015063 0.0182083846 0.0163530197 0.0020270864 0.0134464977 0.0013756587 0.0014508339 0.0028323300 0.0016899574 -0.0127600568 -0.0154789744 -0.0315251104 0.0288791936 -0.0196575415 0.0151922500 -0.0333278345 -0.0117874519 0.0042849445 0.0046343275 0.0079668972 -0.0059575987 0.0416780632 -0.0355798017 -0.0027873703 -0.0488371142 -0.0135646233 -0.0000863156 -0.0012855781 -0.0012905401 -0.0035802421 0.0112812804 -0.0199978942 0.0110359635 0.0145541447 0.0089575116 -0.0074318078 -0.0081486114 -0.0025897249 0.0032939597 0.0032541251 0.0016693458 0.0689878612 0.0739467301 0.0002618584 -0.0194984934 0.0194283778 -0.0049563755 0.1605112572 -0.0338870154 0.2014547547 -0.0179727839 -0.1285646336 -0.0833149956 -0.0665211724 -0.1500583754 -0.1998099423 -0.0361433654 0.0530445625 0.0202997807 0.0230636601 -0.1093067462 0.3079108291 0.0196558695 -0.1404794391 -0.2125415931 0.0205340375 -0.0253856588 0.0012066702 0.0701899585 -0.1035476666 -0.0970895071 0.0205542714 0.0414367643 -0.0163367946 -0.0203648168 -0.0021253447 -0.0403274754 0.0278599381 0.1221877548 0.0609548419 -0.1046774037 -0.2924279183 -0.0126554336 0.1856349100 0.2785114032 -0.3386325412 -0.0101569098 0.0212287593 0.0394456330 -0.0666877482 -0.0669630350 -0.0716525291 -0.1791923117 0.0207148214 -0.0081452959 0.0562059031 -0.0580600086 -0.0536194108 -0.0322596873 -0.0934026102 -0.0393967514 0.0997666833 -0.0694392814 -0.0354703188 -0.0369288634 0.0240938392 -0.0325619782 -0.0724523703 -0.0854359068 0.1454571000 -0.0431562223 -0.0821110953 -0.1827137761 -0.0321881576 0.0167100465 0.0333025511 0.0663259916 -0.0584806555 -0.1347661546 -0.0669194601 -0.0823606871 0.1960684220 -0.0210671160 -0.0823883098 0.0803262368 0.0013458473 0.0101678781 -0.0578217003 -0.0078437432 0.0032383167 0.0253309808 0.0406416713 -0.1109013938 0.0098106758 0.0477243550 -0.0538829754 0.0548831566 -0.0007160709 -0.0020452842 0.0015494437 -0.0098338872 0.0183100496 -0.0030053137 0.0099758315 -0.0015822130 -0.0028329561 0.0162725980 -0.0078467787 -0.0018399700 -0.0035425251 -0.0024533026 0.0010600779 0.0000138469 -0.0043066494 0.0020271230 0.0099615174 -0.0020140969 0.0011410015 -0.0038327956 0.0085500330 -0.0053961306 0.0130357172 -0.0071349307 0.0136777753 -0.0149286421 -0.0094830347 -0.0211812408 0.0090907182 0.0030374057 -0.0013733954 -0.0054283566 -0.0028305451 0.0011335697 -0.0476207010 -0.0586255146 -0.0026403089 -0.0054778370 -0.0025264447 -0.0036811396 -0.0122075318 0.0029867754 -0.0166650960 -0.0107860244 0.0060005555 -0.0148774381 0.0090331556 0.0077936081 0.0077715902 -0.0011687048 -0.0018516029 0.0048611837 -0.0130653688 0.0034464715 -0.0108007145 0.0031550584 0.0076860403 0.0164947563 0.0070316094 0.0049569275 0.0027190086 -0.0016943685 0.0015348084 -0.0029030472 0.0132809135 0.0136576551 -0.0030670741 0.0088480586 -0.0046045540 -0.0027434180 0.0005861774 0.0058150942 -0.0050215006 -0.0017413892 0.0160223607 -0.0043296115 0.0166886045 -0.0118403454 0.0194897439 0.0053123187 0.0006619043 -0.0006118135 -0.0084022011 -0.0108795777 -0.0076901895 0.0183067441 0.0120699433 0.0031038387 0.0003322768 -0.0054074221 0.0056438461 0.0128497442 -0.0151196813 -0.0213899037 -0.0198869940 0.0195926762 -0.0040367686 -0.0027227338 0.0014780051 -0.0000131647 0.0007650155 -0.0050681381 0.0086168006 0.0080370625 -0.0038674112 -0.0155144618 -0.0014153452 0.0017106892 -0.0025959298 0.0155236467 -0.0020356707 -0.0193981907 0.0036750045 -0.0055611893 0.0079888511 -0.0013548424 -0.0080226794 0.0122519416 0.0018365861 0.0037124406 -0.0012769654 -0.0252848339 -0.0149797870 -0.0027694089 0.1176396457 0.0839452005 0.0223866065 -0.0031986073 -0.0002643720 -0.0011434435 0.1200231205 -0.0718455139 0.0333114112 0.1459238583 -0.2324611624 -0.1053216051 -0.1196562646 0.1140863065 -0.1157903245 0.2285539732 -0.3258872347 -0.0731292403 0.0425520150 0.1176199458 -0.0043063627 -0.0398450389 0.2635987407 -0.1572075039 0.2723998953 -0.1159742794 -0.1057967720 -0.2104598808 0.0564014078 -0.1302290770 0.1110185940 -0.0753075965 -0.0498809513 -0.3970513887 -0.1857393868 -0.2777712550 -0.0295047912 -0.0281934248 0.0844535394 0.0373958446 -0.0257278816 0.0621749545 0.1646291126 0.0936363416 0.2089569300 -0.1006862631 -0.0498250847 -0.0721627482 -0.0942070161 0.0301126052 -0.2046943407 -0.1842809908 0.0142969016 -0.2861886073 0.0699652635 0.0796591150 0.0705584739 -0.0418733101 -0.0152062310 0.1086798162 -0.2095016305 -0.0021651577 -0.0162836304 0.0105922615 0.0609672071 0.2016498961 0.1420238457 0.0776091648 0.0290133684 0.0585632956 0.0196940774 -0.0535794133 0.2967057276 0.1395979473 -0.0838952716 0.0423022048 -0.0200960876 0.0038092439 0.0116124679 0.0289586385 -0.0155227460 0.0357233061 0.0144480387 -0.0099593768 0.0613371049 0.0086893447 -0.0050313975 -0.0262756654 0.0204577385 0.0012468488 -0.1130176161 -0.0237806590 0.0153396094 0.0213648345 0.0076468644 0.0143319601 0.0122702016 -0.0280826278 0.0084285041 0.0720015002 -0.0340818854 -0.0526366017 -0.0341980379 0.0498569228 -0.0141405701 -0.0089034660 0.0042249732 -0.0056801893 -0.0409535435 -0.0179480723 0.0394831871 0.0584010896 -0.0060502569 -0.0693570286 -0.0111028674 0.0120321678 -0.0007777901 0.0632411394 -0.0177594655 -0.0916713607 -0.0074625306 -0.0350157059 0.0727875289 -0.0069996810 -0.0460251880 0.0526635580 -0.0066381997 -0.0023260285 0.0020904701 -0.0240685023 -0.0364940581 0.0145770364 0.0955570488 0.0440803423 0.0361413907 -0.0079541758 -0.0205951892 -0.0392047059 0.0291709492 0.0205647959 -0.0144616968 0.1399343540 -0.2294213909 0.0389671605 -0.1263833429 0.0224295978 0.0408144475 -0.1607099975 0.0464012788 0.0071512013 0.0313843531 0.0260737285 -0.0091243117 -0.0503088352 0.0549882990 -0.0120648782 -0.1128850255 0.0333585104 -0.0042491891 0.0085064921 -0.0825903976 0.0415691294 -0.1727987320 0.0724196376 -0.1287555342 0.1461687996 0.1209488437 0.1916094429 -0.0631958366 -0.0189478143 0.0153452963 0.0089450193 0.0227491721 -0.0277710973 0.2599121613 0.3255224953 0.0312869050 0.0125064999 0.0260927019 -0.0068216362 0.0504387313 -0.0406980881 0.1299496350 0.0637649573 -0.0646664874 0.1016760322 -0.1276985720 -0.1093592053 -0.1590492569 0.0132731931 0.0187875023 -0.0161213747 0.1034028141 -0.0197097844 0.1006952585 -0.0922239874 -0.0747034624 -0.1275746647 -0.0058006986 -0.0530492651 0.0248182311 -0.0950713201 -0.1402433747 -0.0945582098 0.0197975617 0.1069723217 -0.0304101845 -0.0236856212 0.0435870965 -0.0515377513 0.0130302761 0.0526572165 0.0011110244 0.2116291675 -0.0918393522 0.0396572291 -0.1043136817 0.1162249265 -0.0818585159 -0.0230727156 -0.0244022354 -0.0713088812 -0.1881914037 -0.0323480795 0.1025285282 0.1868090787 -0.1022053631 -0.0127118748 -0.1558627627 0.0048005428 0.0727509237 -0.0612716160 -0.0268818806 -0.0625916288 -0.4130983431 0.0370048747 -0.0372189648 0.0520479510 0.0026812212 0.1129204822 0.1249555812 0.0204895034 0.0629923470 0.0334660618 0.0123378498 0.1424682889 0.1047605772 0.0026245558 -0.1094397478 -0.0359506717 0.0038527371 -0.0141583575 0.0096913586 0.0430789078 -0.1596823451 0.1290578627 0.0474063401 -0.3563701818 0.0134182780 -0.0174366263 -0.0727067045 -0.0184908316 0.0039584616 0.1066286000 0.1552572533 -0.0471221618 0.1090191132 0.0124261909 -0.0181211846 0.0467986320 0.0181850388 0.0071848757 -0.0066700019 0.0707442290 -0.1116828918 0.0179561505 -0.0594162361 0.0087807762 0.0204382492 -0.0709734563 0.0129853094 0.0009916289 0.0142555567 0.0150503259 -0.0046114897 -0.0283835927 0.0316192541 -0.0079556596 -0.0495519686 0.0158762599 -0.0035171785 -0.0031683025 -0.0367124467 0.0146075453 -0.0695417642 0.0313906701 -0.0629296863 0.0576537379 0.0537678026 0.0818073259 -0.0292621025 -0.0120076967 0.0097928958 0.0028539816 0.0095958386 -0.0132656638 0.0960455208 0.1214489583 0.0157888002 -0.0830748204 -0.0330177578 -0.0600395757 -0.0487693483 0.0154105964 -0.1228494137 -0.1429380249 -0.0144678543 -0.2297944483 0.0344187556 0.0366914655 0.0156935460 -0.0310331196 -0.0087028394 0.0874638904 -0.1183768152 -0.0007454553 0.0211642057 -0.0162896621 0.0312925764 0.1367065853 0.1156942604 0.0430280608 0.0227395595 0.0476899858 -0.0186169502 -0.0606585203 0.2524415798 0.1027015826 -0.0796146346 -0.0176516549 0.0074853310 -0.0014821270 0.0036633192 0.0148607517 0.0019946148 0.0430588433 -0.0090788177 0.0095441385 -0.0617922455 0.0444491871 -0.0212820585 -0.0089924998 -0.0115500896 -0.0209189882 -0.0411083927 -0.0063434317 0.0248242617 0.0367836035 -0.0309768652 -0.0079107148 -0.0503183402 0.0078535014 0.0190100088 -0.0333195166 0.0019907055 -0.0060142461 -0.1122975449 0.0001683331 -0.0066461261 0.0183689580 0.0002935506 0.0355464820 0.0441660924 0.0097699019 0.0129702920 -0.0032594523 0.0050378200 0.0585393074 0.0348547890 -0.0012497825 -0.0324104223 -0.0264093915 0.0034670154 0.0150628573 0.0008086310 0.0196069463 -0.0602672369 0.0421079289 0.0238882337 -0.1244527611 0.0043213501 -0.0088870588 -0.0003765965 0.0301873203 0.0217257858 0.0285613103 -0.0815432527 -0.0674116760 0.0077683064 0.0070589740 -0.0216566090 -0.0255719431 -0.0512339944 -0.0198778499 0.0151410657 -0.1976691391 0.3212869662 -0.0394028831 0.1806802101 -0.0414047832 -0.0444675365 0.1858959600 -0.0213214311 0.0003214923 -0.0399148038 -0.0430261862 0.0099421724 0.0862121372 -0.0956478472 0.0242620319 0.1242951523 -0.0347951624 0.0113875187 0.0088104742 0.1019611911 -0.0451501830 0.2296313135 -0.0767964690 0.1472743816 -0.1471163825 -0.1392830742 -0.2376707834 0.0680157737 0.0194139912 -0.0194565966 -0.0085932538 -0.0247668111 0.0328683208 -0.2902863081 -0.3621835969 -0.0417894983 0.0380903083 -0.0085340482 0.0439783023 -0.0282263936 0.0288351286 -0.0588980767 0.0236521850 0.0823878210 0.0457040688 0.1078463736 0.0903887097 0.1568207545 -0.0056058533 -0.0051085605 -0.0385675158 -0.0901567304 -0.0046562979 -0.0957368871 0.1288601833 0.0472729079 0.0219997438 -0.0633251573 0.0433097463 -0.0206499458 0.0836814184 0.1172887397 0.0847610993 -0.1831212636 -0.0993804674 0.0904422665 0.0139714957 -0.0675108475 0.0073569564 0.0702698092 0.0342623029 -0.0331246429 0.1709096472 0.0419155541 -0.0060309627 0.1628885020 -0.0221137379 0.0357621615 -0.1290312036 0.0783769878 -0.0237666711 -0.3905282487 0.0175696068 0.1628425154 0.0764753461 -0.0843070196 0.0310118493 -0.0086475951 -0.0807194723 0.0314525432 0.2636070395 -0.0155844016 -0.0900493932 -0.1983991342 0.0945381493 -0.0554078142 -0.0054601510 -0.0054270048 0.0192483558 -0.1714754498 -0.0221471258 0.1056381555 0.2599476166 0.0267276953 -0.1259406503 -0.0045005981 0.0436737190 -0.0324835875 0.1797839356 -0.0528227703 -0.2881561061 -0.0305339291 -0.0948267107 0.1886330860 0.0185929587 -0.1334905598 0.0489160950 -0.0041394532 0.0184718169 0.0091590779 0.0612517670 -0.0662037067 0.0195695700 0.0539824777 -0.1188095920 0.0115575780 -0.0003614554 0.0095666819 -0.0046387272 -0.0249477213 -0.0021424989 0.0012836780 -0.0727104194 0.1158980398 -0.0074506180 0.0657259130 -0.0203555081 -0.0090564888 0.0425255628 0.0182037104 0.0052883444 -0.0062669121 -0.0161237931 0.0027826915 0.0559214305 -0.0351780329 0.0010471896 0.0302384153 -0.0162683082 0.0021578299 0.0115402151 0.0300630295 -0.0117177950 0.0845495905 -0.0106067692 0.0234208994 -0.0163399096 -0.0284952897 -0.0803987210 -0.0010417861 -0.0054059789 -0.0008845313 0.0036963389 -0.0034876487 0.0091980181 0.0245089654 0.0156969355 0.0063630338 -0.0052232898 -0.0299103562 0.0479584169 0.0290303023 0.0740472251 -0.1048901546 -0.1001923980 0.0564957329 -0.2057680605 0.2519226990 0.1425315932 0.2402478097 -0.0245010827 -0.0063685189 -0.0110900049 -0.0786779750 0.0006949150 -0.0584681190 0.2675720384 0.0810041728 0.0905608864 -0.0272902522 0.0402044757 -0.0668994567 0.2866238809 0.1313599700 0.0721289537 -0.1936065171 -0.2201376756 0.1022148393 0.0154174285 -0.0155730809 0.0060854111 0.0317461276 0.0472636503 0.0317821449 -0.1089034702 -0.0745020921 -0.0163814591 0.1241624486 0.0943451973 -0.1074851601 0.0052360810 -0.0117094319 0.0387699135 0.0741672654 -0.0271778170 -0.0792488053 -0.1627272467 0.0510642440 -0.0066909990 -0.0583685097 -0.0085189034 -0.0419090954 -0.2426957637 -0.0663308698 0.0162948634 0.0046982688 -0.1183334463 -0.0099800697 0.0127080431 0.0010503042 0.0383013855 -0.0088648159 -0.0061860146 0.0577746770 -0.1751912578 -0.0273207053 0.1344470967 0.0717264132 -0.0084788254 -0.0220475073 -0.1647840298 -0.0150714136 0.1302081050 -0.0874334469 0.0428089462 -0.0765968660 0.0955682948 0.0701927589 -0.3436506710 -0.0105168333 0.0142212173 0.0047807584 -0.0044253927 -0.0115562652 -0.0499755282 -0.0151705297 -0.0366969226 -0.0555721197 0.0142835923 -0.0203316059 0.0299600960 0.0145870621 0.0038216164 0.0022104135 0.0463432941 -0.0844531803 -0.0045959044 -0.0586862419 0.0283967634 -0.0014732396 -0.0217234955 -0.0210974331 -0.0058541230 0.0036489918 0.0081244314 -0.0029452597 -0.0556018331 0.0208013830 0.0057145881 -0.0033917200 0.0116241236 -0.0013434353 -0.0065192878 -0.0200190468 0.0036471569 -0.0781078282 -0.0042546425 0.0045059599 0.0200920875 0.0207170350 0.0361710847 0.0076139022 0.0136864572 0.0023160074 -0.0056677575 -0.0003381801 -0.0052334869 -0.0471392401 -0.0461885805 0.0027619135 -0.0039966850 -0.0013430217 -0.0025044878 0.0006298384 0.0000062555 -0.0049578564 -0.0087072905 -0.0038513747 -0.0183180147 0.0055564312 0.0096297912 0.0099957802 -0.0008904005 -0.0012459930 0.0044404736 0.0066728554 0.0031776568 0.0027852867 0.0054151555 0.0040316332 0.0107292444 0.0027321453 0.0021194048 -0.0019888859 0.0178576995 0.0024910082 0.0011762156 0.0083437753 -0.0156967937 -0.0020587698 -0.0127082420 0.0190113364 0.0051699802 -0.0002547913 -0.0144004271 -0.0024341208 0.0469103784 0.0092576010 0.0115756880 -0.0734428365 0.0051753915 0.0016586553 -0.0180835832 0.0049427639 -0.0228514997 -0.0482743813 0.0248782984 0.0537031366 0.0444128686 -0.0531262824 -0.0061872921 0.0078672485 0.0034647359 0.0190340090 0.1093995399 0.0475860360 0.0073437094 -0.0408474180 0.0299671623 -0.0028515853 0.0003207275 -0.0026685443 -0.0024325069 0.0003709116 0.0066708899 -0.0163914715 0.0903732734 0.0176669329 -0.0386592286 -0.0200551773 0.0059606686 -0.0024834974 0.0701472446 0.0046032659 -0.0658691794 0.0350307260 -0.0170773820 0.0242479884 -0.0265791925 -0.0286187830 0.1082970302 -0.0001114070 -0.0059308919 -0.0019493657 0.0535595977 0.0211831626 0.0117582537 -0.0782863019 -0.1062849075 -0.0174629618 0.0032845754 -0.0036571172 -0.0008942533 0.0561708761 0.0213604874 0.0187686201 0.1585247541 -0.2959030762 -0.0460356802 -0.2614066514 0.1508225432 -0.0279562846 -0.0441999934 -0.1391596804 -0.0401401440 -0.0014144349 0.0147544702 -0.0152304592 -0.3155212203 0.0645313718 0.0533492710 0.0557744659 0.0483802319 -0.0025704431 -0.0180195178 -0.0652708350 -0.0102533451 -0.3209735229 -0.0575457237 0.0907690274 0.0790130698 0.0752936813 0.0900556082 0.0672215162 0.0824084756 0.0133936480 -0.0290029328 -0.0160049084 -0.0163707875 -0.4451713785 -0.4556365871 -0.0187613023 0.0303461065 0.0251233389 -0.0409402043 -0.0954793314 -0.0771697798 0.0507350686 0.1401668985 0.0088140717 0.3004090873 -0.2497257799 -0.0946581041 -0.1716845184 0.0149305782 -0.0001686251 0.0077154082 -0.0433681303 -0.0115954348 -0.0112363574 -0.2812487186 -0.0625251164 -0.0642414519 0.0058267089 0.0051731418 0.0698707057 -0.3127043868 -0.0202525220 0.0167373911 0.1789628175 0.1835387052 -0.0847853600 0.0372170869 -0.0455494646 0.0488211334 0.0759572466 0.0189725419 -0.0025199854 -0.0762365019 0.0535500859 -0.0386002139 0.2498641511 -0.0293471294 0.0205881010 -0.0519622173 0.0366599226 0.0683605899 -0.0112647598 0.0061496893 -0.0463797051 -0.1861894413 0.0977000035 0.0324625377 -0.0341241014 -0.0525339803 -0.0575447926 -0.1474633548 -0.0814920010 -0.0102021521 0.0587080724 -0.0820448176 -0.0150810075 -0.0015542052 -0.0096835669 0.0200933303 -0.1839856729 -0.0225029879 0.1058456389 -0.0966480934 -0.0160934460 0.0809527318 0.0655449532 0.0145880014 -0.0088542208 -0.1279339707 -0.0552369111 0.0299939370 -0.1571287430 -0.0076741847 0.0634303891 0.1071163586 0.0032268552 -0.3514108833 -0.0099520495 0.0058928327 0.0697157749 0.0175548353 -0.0338223499 -0.0665737870 -0.0718425517 0.0210539812 -0.0634809379 -0.0252947182 0.0359631686 -0.0882607541 0.0081894229 0.0070846421 0.0042095483 0.0231352489 -0.0444443543 -0.0124629805 -0.0557226648 0.0364700955 -0.0097574518 -0.0053272196 -0.0310001074 -0.0101589507 0.0001170586 -0.0007527710 -0.0022271057 -0.0661644036 0.0108682147 0.0110920984 0.0238027323 0.0036156029 -0.0010638986 -0.0012641494 -0.0101084781 -0.0060219863 -0.0682129617 -0.0168018653 0.0281683823 0.0229393589 0.0147731338 -0.0041327597 0.0133256448 0.0199452880 0.0049596396 -0.0048029605 -0.0046521122 -0.0016656511 -0.0769097102 -0.0788421086 0.0065074889 0.0004045759 -0.0003115347 -0.0017742816 -0.0067506229 -0.0023727726 -0.0019495955 0.0031566144 0.0027657390 0.0078393409 -0.0026501079 0.0013411747 0.0000188112 -0.0017066303 -0.0014164134 0.0026879937 -0.0097155067 -0.0000455990 -0.0047066391 -0.0152671481 -0.0011631773 0.0026287257 0.0018645570 0.0045633605 0.0015273517 -0.0000906732 0.0051981715 0.0030882757 0.0139670918 -0.0029935504 -0.0051621921 -0.0035088913 0.0059982933 0.0053238347 0.0081079184 -0.0037026531 0.0050842799 -0.0057297221 -0.0062444789 0.0007009858 0.0078165065 -0.0026904940 0.0075797382 -0.0055017021 0.0111201957 -0.0016733849 -0.0032111684 0.0261375182 0.0255367649 0.0037579854 -0.0121882164 0.0005966623 -0.0037750509 -0.0089703555 -0.0002158107 0.0332902972 0.0107763253 0.0019870790 -0.0279961241 -0.0108098405 -0.0106037081 -0.0022689206 -0.0052547154 0.0066128401 -0.0372266027 0.0001145785 0.0113434798 0.0328922315 0.0076014709 -0.0000872927 0.0025378883 0.0059345549 -0.0077437858 0.0190115358 -0.0060284026 -0.0351455761 -0.0039928236 -0.0090343957 0.0164312879 0.0064087394 -0.0148613363 -0.0073853806 -0.0022351146 -0.0028525411 0.0076710241 0.0190972753 0.0067104683 -0.0033893007 -0.0939848108 -0.0564764158 -0.0215742666 0.0012666813 -0.0013830951 -0.0063387528 0.1163656150 -0.1139744076 -0.0258647403 0.1872391866 -0.1833155537 0.1192604040 0.2197903795 -0.2436281891 0.0971984595 -0.0101546678 0.0222923648 0.0408402531 -0.0812239317 0.1050393166 0.0346945948 0.1130513662 0.1156956697 -0.0605686712 -0.4131647523 0.0770734638 0.0326534059 -0.0728601600 0.0328356400 0.1402367592 0.1495318901 0.0136316407 0.0831074134 -0.3892065823 -0.1969499530 0.3602058806 0.1005791406 -0.0303331808 -0.1791855301 -0.0437126201 0.0294440083 -0.0056478829 0.0082857943 -0.0319961280 -0.3133978187 0.0727446493 -0.0033136014 0.0226518406 -0.1361123502 -0.0340460480 -0.0564527937 0.1333267628 0.1387159087 0.2941583602 -0.0528204457 0.0642624723 0.1048010176 -0.0661004593 0.0155570266 -0.0162404766 -0.4090769978 -0.1073369582 -0.0551795733 -0.0737738770 -0.0341302740 -0.0771242290 -0.0134026049 0.0583941164 0.0327456035 0.0038643779 0.0271975550 -0.0045279384 0.0169554628 0.0556212047 0.0088509719 0.0309465304 -0.0607278640 0.0066369442 0.0033922772 0.0857880426 -0.0254170798 0.0334094587 0.0058745438 -0.0258880221 -0.0812300849 0.1377443565 -0.1009369163 -0.0347356257 -0.0810881656 -0.0333278408 -0.2453262178 -0.2522058839 -0.1309223228 -0.0565788703 -0.0358775109 -0.0398696866 0.0088699784 0.0666328818 0.0318694364 -0.1707274819 -0.0594888104 -0.0340189581 0.0764448374 0.1022482835 0.0605041905 0.0346982268 0.0540854307 -0.0345903205 0.3899918116 0.0082376231 -0.0950376975 -0.1566953844 -0.0482979701 -0.0465742720 -0.0331195001 -0.0456241984 0.0424765055 -0.0656287331 0.0623480366 0.2098196863 0.0944915960 0.0601339937 -0.1426232570 -0.0744599768 0.1032181133 0.1639821790 -0.0037242990 0.0073052871 -0.0024627335 0.0256375999 -0.0533801982 0.0376536753 0.0693572173 -0.0950921581 0.0364973901 0.0272934470 -0.0408702927 -0.0491440447 0.0053716792 -0.0038802228 -0.0007475734 0.0085178639 -0.0095788154 0.0023652490 0.0024386965 -0.0053842775 0.0021507596 -0.0008549764 -0.0032694876 0.0001949519 -0.0046388349 0.0032985818 0.0021063770 -0.0072000045 0.0067141946 -0.0011351372 -0.0146207270 0.0015513438 0.0017254999 -0.0017604630 0.0020024542 0.0035949678 -0.0007170877 -0.0040837428 0.0125669243 -0.0113047024 -0.0079066958 0.0039604224 0.0072676693 0.0030262694 -0.0071594483 -0.0027749867 -0.0004347355 0.0001277167 -0.0204651300 -0.0230164232 -0.0155079094 0.0494912681 -0.0017385185 0.0143709550 -0.0908599467 -0.0260922071 -0.0326088810 0.0913026696 0.0911312428 0.2000659665 -0.0430715989 0.0389334806 0.0643723077 -0.0543436821 0.0096382241 -0.0044197555 -0.2963886596 -0.0796413514 -0.0282512044 -0.0853229705 -0.0343388791 -0.0573996263 0.0082625483 0.0258067408 0.0089293586 0.0171218135 0.0119603184 -0.0076246065 0.0500560818 0.0081314431 -0.0172151262 0.0158085439 -0.0311113123 0.0161448466 -0.0707924838 0.0159196990 0.0938759390 -0.2844421320 -0.1801963024 0.0186099353 0.0191323732 0.1195364797 -0.1628444211 0.1010789696 0.0161000645 -0.0299384828 0.2746737104 0.1856586066 0.1073299494 -0.0562985623 -0.1935563526 -0.0780346487 -0.0103031470 -0.0098004910 0.0024959391 0.1761129691 0.1261135134 0.0802748889 -0.3132495448 -0.2310724265 -0.1231058418 -0.0228004482 -0.0187814128 0.0899043608 -0.0079691808 0.0182955599 0.0297933159 0.1543649160 0.0303974730 0.0342800376 -0.0160122497 0.0072729626 -0.0915592496 0.2124149130 0.0386962404 -0.2082548836 0.1766143920 -0.0060275794 -0.1094802174 -0.0365535049 -0.0350128653 0.1801382422 -0.0062938758 0.0115825687 0.0378945821 -0.0184210302 0.0168157250 -0.0882818225 -0.0027891471 -0.0331985944 -0.0954509422 0.0194690758 -0.0258548257 -0.0353153553 -0.0065399037 0.0058186837 -0.0006552509 -0.0103085266 0.0148250517 -0.0014817152 -0.0048469079 0.0067534362 -0.0022151983 -0.0048415303 0.0073031706 -0.0002229828 0.0078437551 -0.0047376920 0.0003553429 0.0159591682 -0.0047946395 -0.0029709746 0.0153503770 -0.0096121158 -0.0018731805 0.0015548661 -0.0021233938 -0.0019594681 -0.0072980030 0.0061627807 -0.0118751807 0.0067465521 0.0032627655 -0.0036291834 -0.0062162904 -0.0022533025 0.0047231139 0.0033492617 0.0003486261 0.0005554269 0.0268136229 0.0279475660 0.0133981022 0.0676124150 -0.0084710351 0.0363794540 -0.1032262870 -0.0218395133 -0.0487943913 0.1028029033 0.1273068688 0.2226572712 0.0013398827 0.0815245276 0.1434142230 -0.0938807694 0.0196931206 -0.0158398579 -0.4384465645 -0.1275820600 -0.0214935404 -0.0562999892 -0.0472174737 -0.0975891213 0.0210158356 0.0187336289 0.0033906684 0.1457777207 -0.0643650507 -0.0935393331 0.0423126310 -0.0012473832 -0.0120454120 -0.0243612023 0.0441783181 -0.0292176087 -0.0532862156 -0.0401788719 -0.0445434177 0.0608714617 0.1268673017 0.0024801008 -0.1938684040 -0.0764801704 0.1029946212 0.0406270424 0.0482395667 0.0347369669 0.1516344451 0.1080001604 0.0253967006 0.2159841997 0.2098701385 0.0883547281 0.0153192307 -0.0324729303 -0.0196859243 0.0448007989 -0.0177765432 -0.0194084974 0.1626815282 0.0757181760 0.0403789483 -0.0358362609 -0.0403163995 -0.0279797522 -0.3521190608 -0.0202400513 0.0566833827 -0.0219460535 0.0163669834 0.0452438274 0.0404770876 0.0319235519 0.0167310753 -0.0857671681 -0.0734239571 -0.0376018686 -0.1824231724 -0.0359005062 0.1626989933 0.0872374597 -0.0602647495 -0.2599402289 0.0117040920 -0.0165587691 -0.0562506441 -0.0109540524 0.0419749897 0.0891273197 -0.0564074397 0.1396454570 0.1055202983 0.0442545535 -0.0639053517 -0.0004515233 0.0004005745 0.0004141922 -0.0001964551 0.0007608696 -0.0011067506 -0.0004835821 -0.0030285421 0.0006136456 0.0010581099 -0.0017337937 -0.0021995843 -0.0010915125 -0.0001024363 -0.0006268681 -0.0002364203 -0.0081927558 0.0011693580 0.0007374804 0.0008133479 -0.0002245204 -0.0000966304 0.0003456078 -0.0017786260 -0.0032868085 0.0062027736 0.0020884926 -0.0094567569 0.0043662619 0.0047372613 0.0016857876 -0.0000711467 0.0001017796 0.0043874718 0.0001799496 -0.0008031125 -0.0011063580 -0.0258019864 -0.0236576045 -0.0014230833 0.0216141382 0.0003231080 0.0235773905 -0.0049119388 -0.0023614165 0.0112373038 0.0251357980 0.0238102951 0.0472996083 0.0185322664 0.0241741338 0.0523002462 -0.0482739899 -0.0028368285 -0.0088463963 -0.1446776888 -0.0448255856 -0.0107290187 -0.0931537686 -0.0359434394 -0.0484052420 0.0416048502 -0.0226236151 -0.0265489380 0.1019993722 -0.0562255192 -0.0671760170 0.0682719721 -0.0417151012 -0.0403007310 -0.0290175066 0.0611469106 -0.0119197907 0.1070583737 -0.0529872062 0.0162562397 0.0724216818 -0.0286453631 0.0104261771 0.2553232509 -0.1249223613 0.0966306726 -0.0645826807 -0.0179213502 0.0220938408 0.0547347409 0.0501134095 0.0152419515 -0.2457323831 -0.0963463804 -0.0303410784 -0.0632083074 -0.0005963262 -0.0175843514 -0.0634297263 0.0253587669 0.0267427650 -0.1189002366 -0.0851898961 -0.0381142366 0.0744282549 -0.0004466021 -0.0170631089 0.1754180629 0.0251050628 -0.0929778311 0.2320101078 0.0356389039 -0.0794637130 -0.0294203960 -0.0008572165 0.0311252373 0.0248219035 0.0127973045 0.0155609401 0.0238941402 -0.0149158837 0.0447341506 -0.0398619826 -0.0045510670 0.1326830348 0.0060056500 -0.0111418702 -0.0147458381 -0.0440226074 0.0604925642 -0.0228124984 -0.1715981491 0.2878160133 0.0043004331 0.0064275948 -0.0042275887 0.0208672555 0.0460401460 -0.0036478028 -0.0352667185 0.1441806688 -0.1816234127 0.0777043737 -0.0252461867 -0.0787959590 0.0844408126 -0.1562545808 0.0699215711 0.0073648355 -0.0759444760 -0.0269273938 0.0507517165 -0.1761616327 0.0571733004 -0.0149017550 -0.3383739165 -0.0357213776 0.0522660831 0.0380965603 0.0533892354 -0.0562737568 0.1548486411 0.0335329526 -0.0685141288 0.1751457595 0.0834441885 -0.3071302867 -0.0074128560 0.0002501271 0.0231990864 0.0143580180 -0.0130215078 0.0191778032 0.0197745760 -0.0032526744 0.0666171933 -0.0173432198 0.0001084808 -0.0164483060 0.0100557193 0.0043766592 -0.0060676823 -0.0221870704 -0.0210947246 -0.0428723508 -0.0103372644 -0.0176417164 -0.0379447906 0.0370362266 0.0007141603 0.0061520892 0.1151392009 0.0368217577 0.0045754464 0.0673160301 0.0267640762 0.0370403498 -0.0308678893 0.0180903814 0.0185113596 -0.0739770628 0.0459065261 0.0520636333 -0.0579163312 0.0331502686 0.0336254796 0.0168727978 -0.0570872622 0.0058663934 -0.0865693620 0.0382683033 -0.0114646058 -0.0588185648 0.0207517625 -0.0068096762 -0.1828886220 0.0868009958 -0.0699425940 0.0519344404 0.0126399771 -0.0157501716 -0.0376392867 -0.0411344825 -0.0155930538 0.1797327474 0.0690359834 0.0212000274 0.0548075815 0.0014961682 0.0128552102 0.0538527827 -0.0162920541 -0.0160591539 0.0935436391 0.0591946478 0.0270662410 -0.0626843527 0.0017767098 0.0203950591 -0.1379262391 -0.0202705152 0.0816682056 -0.1951149130 -0.0307872259 0.0696651463 0.0223045522 -0.0004737230 -0.0309789238 -0.0092558303 -0.0060835394 -0.0197859768 -0.0057251582 0.0138793196 -0.0496305979 0.0283287288 0.0057271251 -0.0950516220 -0.0024324143 0.0113358047 0.0129482495 0.0248334777 -0.0468209794 0.0166562383 0.1430576676 -0.1840886027 0.0040446148 -0.0051450801 0.0050852040 -0.0147541725 0.0620729396 -0.0065072682 -0.0394675927 0.1842302824 -0.2397869658 0.0849501164 -0.0417411031 -0.0865981679 0.0974145590 -0.1858540338 0.0708635020 0.0077800833 -0.1049246774 -0.0355847653 0.0593090930 -0.2573623470 0.0646930211 -0.0045765463 -0.4173733602 -0.0312896638 0.0670315371 0.0569444697 0.0755195929 -0.0655734254 0.1781700673 0.0334100650 -0.0446946476 0.2091480249 0.0917103928 -0.3849430966 -0.0035892344 0.0060297745 0.0196084896 0.0188773391 -0.0195548883 0.0268172893 0.0042131079 -0.0155549362 0.0509528398 -0.0041343214 -0.0006166567 -0.0143565540 -0.0158289129 -0.0060768856 -0.0129760118 0.0017740479 0.0001996142 0.0058875827 -0.0250570310 -0.0088461524 -0.0237011583 0.0159769341 0.0027459052 0.0110977551 0.0364394892 0.0131211390 0.0094521927 0.0307236518 0.0118142304 0.0219619774 -0.0176324068 0.0099581228 0.0062629068 -0.0349339699 0.0309263838 0.0338172829 -0.0160237510 -0.0072692195 0.0084939531 0.0063403468 -0.0216740171 0.0083827779 -0.0762721801 0.0315950836 0.0375828286 -0.0231906896 -0.0893645973 0.0388056013 -0.1455218537 0.1188985105 -0.1071683163 0.0662530761 0.0554665521 -0.0225181993 0.1317832023 0.1661276766 0.1146745363 0.2893669579 0.1185696177 0.0432610345 -0.1357548955 -0.0493680868 -0.0002529456 -0.1669021507 -0.1377315584 -0.1308710720 -0.2013009686 0.0071419193 -0.0324228423 0.1221251203 -0.0284241517 -0.1338872982 0.1349923215 0.0229234561 -0.2205480310 0.4088501291 0.0677189184 -0.2035596410 -0.0054944674 0.0168309142 0.1324077119 -0.1609997810 -0.0577591199 0.1467176965 -0.1998533689 -0.0437781298 0.2681706283 0.0252808119 -0.0458938945 -0.0671963137 -0.0045593404 0.0096562010 0.0381062926 0.0084753226 -0.0168585238 -0.0435352965 0.1817944696 -0.2879642554 -0.0795512399 0.0019451656 -0.0022176813 -0.0128867103 0.0019562852 0.0040577557 -0.0036429920 0.0113643328 -0.0144027680 0.0053403406 -0.0096917348 -0.0005088085 0.0065048835 -0.0206230338 0.0115679128 0.0007234473 -0.0008117865 -0.0056332320 0.0053555637 0.0011387071 0.0006723069 -0.0034972500 -0.0180685834 -0.0102243535 0.0037887850 -0.0006838733 0.0048125804 -0.0023523773 0.0053009958 -0.0002382597 0.0022341491 0.0041717695 0.0016323949 -0.0218692274 0.0007375178 0.0004635408 -0.0018228046 0.0021148655 -0.0016522430 0.0030316220 0.0082085434 0.0069547364 -0.0014756044 0.0001787813 -0.0012012700 -0.0063249775 -0.0076705694 -0.0048286235 -0.0063142575 0.0034285394 0.0055121531 0.0091183840 -0.0168895979 -0.0001697677 -0.0047518329 0.0018054910 0.0003457355 0.0079701879 0.0063897874 0.0054464267 0.0030493110 0.0015258911 -0.0002836392 0.0068429520 -0.0029436167 0.0013974334 -0.0032981540 0.0079883871 0.0061565061 0.0046517035 0.0040416244 -0.0190062994 -0.0036032098 -0.0045102707 0.0116170686 0.0035701511 0.0096039379 0.0011753572 -0.0014762052 0.0055130743 0.0019470686 -0.0030042769 -0.0249281385 0.0103968504 -0.0038614017 -0.0066809863 -0.0123381006 -0.0047570196 -0.0079309310 -0.0145721802 -0.0077049742 -0.0085655349 -0.0112306721 -0.0054012775 0.0048384217 0.0108830027 0.0068316754 0.0335105125 0.0315486746 0.0175238651 0.0284188545 0.0263986719 0.0168637340 -0.0087143712 -0.0051672759 -0.0009037899 -0.0347024060 0.0000674537 0.0012245863 -0.0122343119 0.0036364060 0.0142614493 0.0040143247 0.0040752853 -0.0014488294 -0.0023289234 -0.0062485312 -0.0111940302 -0.0122149606 -0.0023741782 0.0112696014 0.0076638249 -0.0053466690 -0.0193186990 -0.0009686393 -0.0020060402 0.0030871221 0.0108376076 0.0006079948 -0.0041786929 -0.0030123314 -0.0466304017 -0.0141760204 0.0020442173 -0.0021728282 0.0003749953 -0.0283946861 0.1341423098 -0.0850524946 0.1305684430 -0.1307768176 0.1378816571 -0.1933676651 0.0237698110 0.1255647257 -0.4368206290 0.3376041788 0.0179377655 0.1512748467 -0.1044124412 0.1105026992 0.5210259290 -0.0138943050 -0.1667727877 -0.0952871174 -0.3168217498 0.0322710299 -0.1599147836 -0.0039565795 -0.0068148819 -0.0115928207 -0.0602862830 0.0111996746 -0.1049118229 -0.0226858801 -0.1675999370 0.0575006036 0.0081180854 -0.0499451148 -0.0061387600 -0.0093583599 0.0252703589 -0.0413121211 -0.1217024221 -0.0313489489 -0.0006191746 0.0513021844 0.1423181053 0.3076633288 0.0905188930 0.2847661721 -0.0574759793 -0.1489434848 -0.1629496777 0.2225094349 -0.0411894598 0.0359337559 -0.0901357375 -0.1036230261 -0.1216049758 -0.0453802705 -0.0089918785 -0.2353733760 -0.5114818940 -0.0861939273 -0.0989508572 0.1428617702 0.0086758371 -0.0329581679 0.0432674799 0.0008905017 -0.0598522631 0.1203983433 0.0984792345 -0.0343063830 -0.0114217879 0.0188538449 0.0116571230 -0.0186913750 -0.0154240088 0.0267167240 0.1302509025 -0.1205035907 0.0548776110 0.0230023263 -0.0089040836 -0.0092225716 0.0021276307 0.0189532129 -0.0303751958 -0.1482200739 -0.0460704887 0.0218292234 0.1628591541 0.0105607997 0.0145850647 0.0275344754 -0.0118646169 0.0236984884 0.0059103056 -0.0703776574 -0.0588536596 0.0418790814 0.0883187469 0.0262460456 -0.0253449891 0.0180805803 -0.0110596888 -0.0085720104 -0.0154143222 0.0330001146 -0.1295217878 -0.0288947057 -0.0035537232 0.0136796835 -0.0092087333 0.0027915814 -0.0457656008 -0.0022446649 0.0513732222 -0.0206669744 0.0156458807 -0.0291718876 0.0145402219 0.0225444399 -0.0621222381 -0.0040367241 0.0030622526 0.0412316636 0.0030254736 0.0042737105 -0.0617696158 0.1583525055 -0.2798134676 -0.1050037128 -0.0455291979 0.0443191205 0.0176454243 -0.0004020507 0.0027006542 -0.0010121683 0.0020407726 0.0030318763 0.0079160322 -0.0065571122 0.0008397493 0.0030424818 -0.0036939466 -0.0028516429 -0.0036049346 0.0025712477 -0.0020158743 0.0003314824 0.0000741310 -0.0004242368 -0.0005201222 0.0080227598 -0.0032514439 -0.0004021622 -0.0022097485 0.0006039502 0.0005904035 -0.0033895033 -0.0035076494 0.0077271935 -0.0026512725 -0.0004660169 -0.0011322970 -0.0006115261 -0.0002534334 -0.0018999923 0.0006911799 -0.0000207819 0.0007471176 0.0138637032 0.0111490718 0.0034557334 0.0034036294 0.0003318226 -0.0048628807 -0.0146980659 -0.0072133065 -0.0048878218 0.0100357166 0.0055940621 0.0201489051 -0.0170114802 -0.0014905766 -0.0064667850 -0.0029683249 -0.0008341221 0.0081188503 -0.0119430226 -0.0022449806 0.0043277632 -0.0192267490 -0.0043137802 0.0044124468 0.0039590977 -0.0033790402 -0.0110750571 0.0079192628 0.0119369909 0.0089691909 0.0179156554 -0.0310096592 -0.0134354255 -0.0030842210 -0.0025523140 0.0057046194 0.0675471747 0.0420027026 0.0235297498 0.0989018184 -0.1171685577 0.0143138201 -0.1506290637 0.1622569165 -0.1290707214 -0.0187386864 -0.1496236344 -0.0425093670 0.1062203737 -0.0913474374 -0.0745216668 -0.1724985459 -0.1680731941 -0.0863054936 -0.0233951905 0.1245730065 0.0670233395 0.2923014325 0.3635710676 0.2059620489 0.1614314920 0.2172782692 0.1475148308 -0.0342459487 -0.0914631194 -0.0505879324 -0.3112150187 0.0253312694 -0.1213367373 0.1399337513 0.0957404978 0.0930001924 0.0326946110 0.0628923292 0.0292210695 -0.0437117343 -0.0920997484 -0.1245739968 -0.1904812189 -0.0557496771 0.2525011982 0.0848508012 -0.1001247838 -0.1839844711 -0.0031107072 0.0043510168 0.0245891304 -0.0250900406 -0.0041453510 -0.0531314571 0.0724455057 -0.1048812550 -0.0681074174 -0.0002904123 0.0051077422 0.0007267482 -0.0052884138 -0.0245505468 -0.0026732394 -0.0271919216 0.0495116129 0.0151283529 0.0807452196 -0.0538129991 0.0023110942 0.0444874846 0.0065678660 0.0075444164 -0.0079730012 0.0288041659 0.0068403034 0.0209985066 0.0428905482 -0.0235029754 -0.0385524664 -0.0021568019 -0.0056005960 0.0096361098 -0.0206257958 -0.0152938440 0.0128833822 0.0306731205 -0.0994127808 0.0336058455 0.0219687132 0.0238643887 -0.0084209706 0.0087378569 0.0223618994 0.0009477451 -0.0002442543 -0.0052353003 -0.0061247437 0.0073299361 0.0289072208 -0.0322256121 0.0252740760 0.0724550588 0.2180054093 0.0783413942 0.1518411472 -0.0882719443 -0.1135247828 -0.1932981010 0.1675393362 -0.0326233252 0.0022946466 0.0096400093 -0.0464525045 -0.0880712413 0.1131994959 0.0345334759 -0.1387415308 -0.1023922381 0.0081984868 -0.0237278788 0.0156856501 0.0565070642 0.0628620795 -0.1244305192 0.0325957069 0.0183347535 -0.0820919870 0.2413537814 0.0866822513 0.0545552722 -0.0880028418 0.0063692253 -0.0023362431 0.0624090280 -0.0498760393 -0.2795019936 0.2200322827 -0.1071352894 -0.1505578776 0.0965903474 -0.0458248932 0.0216460836 -0.0353206285 0.0409557121 0.2433789377 0.0584090516 -0.0445866898 -0.2024816081 0.0109256066 -0.0208207312 -0.0500777852 0.0281477730 -0.0324784599 -0.0019319955 0.1259709559 0.0944896300 -0.0532909277 -0.1197412466 -0.0285837985 0.0379187152 -0.0416801371 0.0058870220 -0.0274311422 0.0259166493 -0.0718839566 0.2191290478 0.0554610242 0.0146378746 -0.0158541789 0.0228033543 0.0038829931 0.0543749299 -0.0110134533 -0.0867741295 -0.0016932125 -0.0318944356 0.0857839107 -0.0081007540 -0.0506129676 0.0583901742 -0.0020637495 0.0005172150 -0.0631467677 0.0131707615 -0.0531197872 0.1107541242 -0.1887032520 0.3332824271 0.1744617157 -0.0183900129 -0.0094762447 -0.0310136132 0.0070790387 0.0211560776 0.0069294511 0.0254634221 -0.0496561371 -0.0193531866 -0.0805100641 0.0581746208 -0.0078819157 -0.0284294239 -0.0236863760 -0.0098991149 0.0013287512 -0.0272137929 -0.0128130122 -0.0460052230 -0.0478153914 0.0340394138 0.0433740605 0.0185998429 0.0054511542 -0.0020396001 0.0258969279 0.0193425238 -0.0195072942 -0.0330928465 0.1215816527 -0.0346244590 -0.0318248990 -0.0335896718 0.0056122766 -0.0104744890 -0.0253839043 -0.0008866501 0.0001738702 0.0050443542 0.0109140144 0.0017688352 -0.0400812761 -0.0098844191 0.0086861434 0.0159174042 0.0596429272 0.0187092339 0.0427739922 -0.0208518787 -0.0344575367 -0.0471862113 0.0385643021 -0.0140341196 -0.0106534012 0.0053104598 -0.0156417044 -0.0202513010 0.0470959276 0.0124136972 -0.0343195439 -0.0309209161 0.0072751557 0.0074607703 -0.0028984642 0.0251360000 0.0207203892 -0.0275388786 0.0167979187 0.0101752062 -0.0246797466 0.0532802183 0.0274510929 -0.0061495769 -0.0094771378 0.0038460955 -0.0083889658 0.0047703259 -0.0215112840 -0.0742007926 0.0971963171 -0.0294853609 -0.0453205350 0.0070646468 -0.0017771871 0.0035024733 0.0199689007 0.0219125841 0.0419677112 0.0344476397 0.0016852186 -0.0170634211 0.0459231907 0.0169743439 -0.0061990031 -0.0170329032 -0.0242242645 -0.0555871087 -0.0349191269 -0.0126784560 -0.0302239985 -0.0714876679 -0.0332368379 0.0158546425 0.0077688983 0.0148862775 0.0452872067 0.0012036200 0.0133110871 0.0226094755 -0.0055025503 -0.0092121849 -0.0112922260 -0.0066746690 -0.0074181036 0.0275983182 0.0168194784 -0.0022355996 0.0416726813 0.0027028487 -0.0314580217 -0.0200588228 0.0064342650 0.0533697875 0.0027712320 -0.0001513802 -0.0062274853 0.0230501531 -0.0127205467 0.0271215618 -0.0123748492 0.0202527823 0.0332404605 0.0022640010 -0.0131184176 -0.0135952113 -0.0367033177 -0.0788930454 -0.0436166911 -0.0912642028 0.2025081297 0.1235727853 0.3378730979 -0.2627592856 0.0532663052 0.0784985286 0.1471897067 0.0423384372 0.0134626446 0.1136182075 0.0776522761 0.2684956468 0.2260390373 -0.1759861179 -0.2009841153 -0.1295566885 -0.0183533957 -0.0063928004 -0.1202176683 -0.0816546033 -0.0116752286 0.1209229111 -0.4712891039 0.1166230662 0.0961482912 0.1169438365 0.0077393802 0.0824408567 0.0911518371 -0.0053068201 -0.0135511032 -0.0208456550 -0.2327751032 -0.1755635032 0.0933024741 0.0267823629 0.0256152494 -0.0301943193 -0.0716962575 -0.0545207819 0.0385328010 0.0834676729 -0.0124602856 0.1360023480 -0.1477242964 -0.0487373724 -0.1083527658 -0.0294200590 -0.0474457099 0.0646656245 -0.0073031241 0.0230145296 -0.0291163546 -0.2058574131 -0.0297186275 0.0891924358 0.0313075611 -0.0005478447 -0.1090320789 0.1509335469 0.1098260469 0.0438723760 0.0782645704 -0.2670849007 -0.0762049069 -0.0363552505 0.0530120574 -0.0053596636 0.0072371767 0.0402374455 -0.1038298483 -0.0804169765 0.2629891560 -0.1059602117 -0.1540880998 0.0176923262 0.0163195929 -0.0130087735 -0.0226227238 0.0759117545 0.1540150959 -0.0003859470 -0.0875912326 -0.0975911873 0.1713968838 0.0539716697 -0.0275820941 0.0233412657 -0.0812547076 -0.1471625732 0.0591728538 0.0818647719 0.0872973836 -0.1484370385 -0.0250530070 0.0468765002 -0.0330703681 0.0610121710 -0.0161477881 0.0243244554 -0.0011801301 0.1361854245 0.0310109183 0.0893758068 -0.0404877789 0.0159481163 -0.0335081162 0.1397167298 0.0265757843 -0.1403795123 0.1059881858 -0.0272153171 0.0060508153 -0.0466023767 -0.0515226421 0.1525743076 0.0022214311 -0.0021430155 0.0200105463 0.0249817811 -0.0678748198 0.0439955713 0.3092820992 -0.4730214755 -0.0126934756 -0.0124172179 0.0354067612 0.0610491090 0.0025770567 0.0009522223 0.0028615686 0.0000003497 0.0007906969 -0.0058840183 -0.0129561203 0.0091806591 -0.0023732437 0.0024816742 -0.0136319825 -0.0028434568 -0.0031330984 -0.0032456993 -0.0055408146 -0.0216632345 -0.0086483582 0.0097660082 0.0100601575 0.0118533613 0.0002489646 0.0031938075 0.0087444815 0.0034546164 0.0068676345 -0.0096137611 0.0311126238 0.0001496848 -0.0015176319 -0.0126740844 -0.0044035740 -0.0092275740 -0.0033984947 0.0003547094 0.0017968317 0.0005305112 0.0368315079 0.0349505860 -0.0020731797 0.0287609884 0.0484361530 -0.0462764429 -0.0750200028 -0.0679621810 0.0824449173 0.1100871765 -0.0426661842 0.1761743382 -0.2249518717 -0.1004638676 -0.2082084542 -0.0171543061 -0.0826015398 0.0941293557 0.0127805325 0.0538271626 -0.0899969199 -0.2835819753 -0.0233281062 0.1711397486 0.0300546686 0.0357135602 -0.1499197224 0.1183125034 0.2770921861 0.1648156249 0.0011075297 -0.2866023148 -0.0453078130 0.0601233758 -0.1102548388 0.0202409749 -0.0243405953 0.0053745169 0.0485649693 -0.1225319014 -0.0627080313 0.0166672248 0.0091921820 0.0467145885 -0.0480817605 0.0273828937 0.0205974811 -0.0437669133 -0.0685690366 0.0113838676 0.0530919119 0.0315091922 -0.1077982704 -0.0432104914 0.0107115183 -0.0169048028 0.0492036012 0.1017979912 -0.0296344211 -0.0499822947 -0.0980715641 0.0581176207 -0.0013693204 -0.0269403694 0.0191098829 -0.0425156549 0.0148513214 -0.0140146769 -0.0095178763 -0.0600309734 -0.0158259766 -0.0699939626 0.0267442195 -0.0097924474 0.0243884818 -0.0929038976 -0.0191052103 0.0926531149 -0.0737425573 0.0162159308 0.0027774824 0.0309356436 0.0323148718 -0.0982706951 -0.0078130542 0.0146379304 -0.0775713475 0.0153085808 -0.0118529747 0.0288734597 -0.2854279555 0.4501663162 0.1004236853 -0.0307855446 0.0501795144 0.0783126128 -0.0015445116 -0.0054651388 -0.0037999044 -0.0068832104 0.0204000276 0.0098179036 0.0170692890 -0.0153761760 0.0010967479 0.0028595948 0.0117396166 0.0032105403 0.0005021613 0.0075851596 0.0066696895 0.0109685024 0.0182028943 -0.0111053403 0.0005290153 -0.0136232375 -0.0020005196 0.0017270484 -0.0075744123 -0.0039634831 -0.0292141642 0.0048939374 -0.0129997978 -0.0032512899 -0.0075112863 0.0068452914 0.0043347474 0.0120668511 0.0019672739 0.0002631622 -0.0031728818 -0.0000831336 -0.0448133229 -0.0349461197 -0.0086163095 -0.0150401518 0.1099411904 -0.0231335118 0.1168332394 -0.0213683075 0.2857028066 0.0675532972 -0.2124778588 0.0515809798 -0.1637260670 -0.1868862250 -0.3524501646 0.0289159220 -0.1483115696 0.0398997873 0.1263832364 0.1150941922 -0.2884096860 -0.0747608283 0.0998382239 0.3366178730 -0.0849978361 0.2362513611 0.0556314109 0.0388278676 0.2546211939 0.1179167526 -0.2037199877 -0.0466210903 0.1794226109 -0.0580111392 0.1036391770 -0.0367253127 0.0180437205 -0.0299273685 0.0068634669 0.1461898907 -0.0764308665 0.0371039241 0.1125072987 -0.0775445436 0.0514937864 -0.0206692567 -0.0066314053 -0.0013786127 0.0150213611 0.0170771715 0.0118184057 -0.0150925445 -0.0241855577 -0.0013348779 0.0089903895 -0.0016008891 0.0051458089 0.0186764467 0.0027522264 0.0047238360 0.0162742935 0.0234306309 0.0080103841 -0.0072189971 0.0062328062 0.0018873728 0.0048738951 -0.0028794340 0.0127121571 -0.0199376750 -0.0043069433 -0.0032141877 0.0016071516 -0.0035739683 -0.0023349189 -0.0023106330 0.0019799423 0.0069481493 0.0024452022 0.0050980265 -0.0159548653 -0.0007146035 0.0096186980 0.0011294207 0.0069346098 -0.0118762892 0.0195107167 -0.0248276896 0.0600618109 -0.0352729608 0.0331685925 -0.0782770429 -0.0628045539 0.0963818373 -0.2181593696 -0.0510031311 0.0028257132 0.0087606362 0.0068023192 0.0059633325 -0.0152465835 -0.0105494762 -0.0348212077 0.0251375930 0.0000437308 0.0008790480 -0.0304676005 -0.0092937731 0.0003217269 -0.0127586750 -0.0143795808 -0.0304859436 -0.0315164211 0.0225446492 0.0097271932 0.0267155130 0.0017915896 -0.0002149843 0.0093746658 0.0067918054 0.0541398820 0.0034656391 -0.0011915338 -0.0028049967 0.0045825494 0.0025055099 -0.0089125083 -0.0191571355 0.0021201808 -0.0017895257 0.0066939331 -0.0035458272 0.0630280155 0.0448819625 0.0273221661 -0.0011168198 0.0033536118 -0.0026928971 0.0011465203 0.0011031818 0.0039782068 0.0010095708 -0.0027728389 0.0032316843 -0.0124830264 -0.0106101461 -0.0192211672 0.0067362142 -0.0032496959 0.0047686186 -0.0108189186 0.0024665903 -0.0136939274 -0.0044516991 0.0027898214 0.0126893673 -0.0007228683 0.0071044392 -0.0054216850 -0.0357064177 0.0502058537 0.0452818250 -0.0338324613 0.0217914011 0.0163667333 0.0404845418 -0.0699900164 0.0176353011 -0.0127381467 -0.0079398391 0.0577627702 0.4123742146 -0.2788561412 0.1440170261 -0.1488299005 0.0711138503 -0.0357981531 -0.0171206877 -0.0079796921 0.0075958414 -0.1294486161 -0.1007180559 -0.0486709733 0.3027618423 0.2591376305 0.1060622551 -0.0239301166 0.0348294904 -0.0679978302 -0.3430263440 -0.0930075526 -0.0189675981 0.3011488051 0.0502109561 0.0739485020 0.0611305147 -0.0587933434 0.0660317073 -0.0568697723 0.0300454003 -0.0233777930 0.0392729997 0.0269342023 0.2084766671 -0.0523917570 0.0383049073 -0.0356340131 0.1647771978 0.0216012373 -0.2022050108 0.1182132421 -0.0478124946 0.0673265777 -0.0416860964 -0.1109339245 0.1365298464 -0.0055357912 0.0092802173 -0.0231119796 -0.0209754685 0.0415256829 -0.0461093699 -0.1220036821 0.2027326510 -0.0204268653 -0.0048269032 0.0020937971 -0.0017814961 0.0001951122 0.0004512927 -0.0009822757 0.0014521171 -0.0014427294 0.0005422655 0.0000985234 0.0002627935 -0.0010264658 -0.0037469600 0.0050679203 0.0011216876 0.0002520437 -0.0001146267 0.0018096526 0.0077971417 0.0003194674 -0.0021722170 0.0064461087 -0.0064319431 -0.0008983741 -0.0029106689 -0.0021106977 0.0001929537 0.0023196099 0.0010616491 -0.0078019824 -0.0068682449 -0.0024937115 0.0078952908 0.0018212229 0.0055038294 -0.0008238770 0.0018144158 -0.0021124850 0.0013202980 -0.0199190905 -0.0112763777 -0.0130628492 -0.0006695453 -0.0010214802 -0.0000394796 -0.0005680666 0.0020493717 -0.0046510315 -0.0024847201 0.0027520327 -0.0023206143 -0.0005469800 -0.0012862133 -0.0009364503 0.0036338018 0.0017333192 0.0009426851 -0.0073291216 -0.0014843632 -0.0005643720 -0.0082269207 -0.0020355407 -0.0032680258 0.0015436178 -0.0001952454 -0.0036590503 -0.0241997399 0.0252346742 0.0259897620 -0.0105632342 0.0109698767 0.0035478155 0.0159204429 -0.0375115574 0.0098941158 0.0459326003 0.0165373492 -0.0061945322 0.3381106633 -0.0900766858 0.0575774859 -0.4027453971 0.1646355444 -0.0868084955 -0.0772690105 -0.0320827840 0.0345815425 0.3793416454 0.2752743318 0.1044228803 0.0326873960 0.1516622767 0.0743917480 -0.0126336186 -0.0596577660 -0.0284046658 0.2571776313 0.1471585219 0.0935364268 0.0657476924 0.0452418748 0.0049524629 -0.0065571896 0.0914391720 0.0068092544 -0.0750934538 -0.0551204693 0.2560451021 0.1136789954 -0.0299960168 -0.2548239625 0.0060777203 -0.0776190216 -0.0010397040 -0.0409014226 0.0536999189 0.2030553080 0.0610127117 0.0580818141 -0.2238701333 -0.0335714912 0.1382150901 0.0111733791 -0.0028879377 0.0052588490 -0.0055759568 -0.0233556744 0.0099267296 -0.0238214030 0.0115442072 0.0000209073 -0.0229331215 -0.0028498460 0.0046684071 -0.0010144055 0.0019604384 0.0024679269 0.0023676851 0.0032920844 -0.0075016866 -0.0059001016 -0.0096160640 0.0095944312 -0.0028521692 -0.0019647219 -0.0066859465 -0.0010325273 -0.0026016117 -0.0033988692 -0.0025913138 0.0110986894 -0.0124453301 0.0031101433 0.0011752551 0.0038113043 0.0001899118 -0.0012310813 0.0022142775 0.0013610692 0.0238658946 0.0044733357 -0.0132234131 -0.0095611515 -0.0046122426 0.0055094072 -0.0024225634 -0.0001462344 0.0007383702 0.0020881929 -0.0009365431 0.0006498436 0.0018070354 0.0153150769 -0.0182156633 0.0023544698 -0.0017717535 0.0002442987 -0.0088058578 -0.0064767659 -0.0007571708 0.0017810364 -0.0012338986 -0.0009103103 0.0007369776 0.0086180394 0.0127753703 -0.0038291080 0.0003744591 -0.0014316075 0.0206393716 0.0015570896 0.0132458523 -0.0149285011 -0.0028341230 -0.0049467381 0.0021752364 -0.0008235492 -0.0023934828 0.0057511006 -0.0002826279 -0.0016517134 0.0053998807 -0.0032339711 -0.0038058802 -0.0080447309 -0.0065268566 -0.0048321494 0.0062623151 -0.0019290274 0.0013479690 -0.0347460406 0.0154652919 -0.0080403723 -0.0283512696 0.0122248514 -0.0066292860 0.0022923116 0.0050065555 -0.0010893013 -0.0217279976 -0.0089005813 -0.0017360980 -0.0062212624 -0.0095378747 -0.0037283994 0.0017280119 0.0007444755 0.0018263879 -0.0135660233 -0.0131721354 -0.0087409612 -0.0082409484 -0.0044970793 -0.0026043554 0.0007250246 -0.0031840465 -0.0008423548 0.0065067684 0.0024627353 -0.0119505087 -0.0121591289 -0.0003010788 0.0125271021 -0.0002754631 0.0034334042 0.0001297700 0.0011344747 -0.0020395225 -0.0079441140 -0.0026314259 -0.0025888549 0.0100929811 0.0012799842 -0.0058870666 -0.0000061906 0.0020930370 0.0021708822 0.0078107449 0.0039940277 -0.0069500445 0.0006980622 -0.0031087613 0.0187256774 0.0053746542 -0.0015422730 0.0046709350 0.0009239519 0.0370367255 0.0502244863 0.0625086154 0.0490050131 -0.1338959636 -0.1305590665 -0.1940901714 0.1972958979 -0.0436293701 -0.0114304497 -0.1925292158 -0.0305781607 -0.0505477087 -0.0626127884 -0.0495865036 0.3650159229 -0.2762144116 0.0452452040 -0.1879467330 0.1135768584 0.0239859471 0.0100326293 -0.0021301506 -0.0080074066 0.3994937696 0.2011276647 -0.4934518090 -0.2009153569 -0.1118244304 0.2249947056 0.0026521856 0.0379652879 0.0485649851 -0.0059001124 -0.0012716727 -0.0173603647 -0.1010366307 -0.0247508345 -0.0109312478 0.0145919997 -0.0937538606 -0.0054057198 -0.0607097287 -0.0230681993 -0.1859902040 -0.0271574741 0.1762250932 0.0158190835 0.0696454242 0.1476276168 0.2715858651 -0.0119068612 0.0389182663 -0.0006016069 0.5110538153 0.0830981082 0.2909875208 -0.5555082395 -0.1394039625 -0.2166100937 0.0015362391 0.0731230237 -0.0170040351 -0.1122231764 0.1903380729 0.1270427607 -0.0314286783 -0.0258423361 0.0252883240 -0.0068460983 0.0097583073 0.0022006924 -0.0028940536 0.0000682955 -0.0013027861 0.0254992498 -0.0135130466 0.0052718434 0.0208949696 -0.0121599147 0.0098568535 -0.0015097130 -0.0009651498 0.0000094102 0.0118831349 0.0078388800 0.0035385825 -0.0070858742 -0.0059945581 -0.0019511871 0.0016213135 -0.0003504281 0.0014158975 0.0003614352 -0.0035096688 -0.0025725835 -0.0008351678 0.0004231843 0.0004624691 -0.0014952570 -0.0011182804 0.0000640040 0.0110798155 0.0014176934 -0.0081804765 -0.0077435540 0.0000176731 0.0065774174 0.0003838114 0.0018590333 -0.0000416270 0.0000356034 -0.0019211271 -0.0049954936 -0.0028397343 -0.0004935676 0.0042962489 0.0011849775 -0.0020982577 -0.0002217370 -0.0003662615 -0.0002223515 -0.0102571726 0.0000161248 0.0071111732 -0.0009685423 -0.0036125045 -0.0047548463 -0.0034156271 0.0153869200 -0.0487457662 0.0053368110 0.0013494476 0.0005714429 -0.0091623548 0.0045743003 0.0117321147 0.0196188356 -0.0074283537 -0.0181961683 0.0169732864 -0.0191388323 0.0128645694 -0.0031192503 -0.0004529668 -0.0041428249 0.0034041141 -0.0552428375 0.0136067165 0.0035378076 0.0586217623 -0.0221653505 -0.0048905091 0.0043507351 0.0038117080 -0.0004495486 0.0218548284 0.0056176202 -0.0076351275 -0.0274502287 -0.0137637824 0.0324504444 -0.0018452653 -0.0048483137 0.0036670548 -0.0021574156 0.0030568179 -0.0026985081 0.0144837159 0.0070134632 0.0150400858 -0.0016377611 0.0083292770 -0.0005565703 0.0097362735 0.0017122739 0.0178960166 0.0026785583 -0.0139000948 0.0009604299 -0.0075276679 -0.0121258798 -0.0239090414 0.0008239020 -0.0044220441 0.0010687125 -0.0425831598 -0.0068655156 -0.0250323509 0.0538258992 0.0140990029 0.0237215533 -0.0002148877 -0.0073866204 0.0021677501 0.0304259014 -0.0281664208 -0.0231253636 -0.0084460139 0.0111059156 0.0037342693 -0.0023310659 -0.0036983279 -0.0058664856 0.0078590866 -0.0009007438 -0.0009695121 -0.0080855244 0.0022625305 -0.0051200701 -0.0371055286 0.0114477649 -0.0010174749 -0.0014071335 0.0030395134 0.0012476909 0.0006224064 0.0050395834 0.0024857330 -0.0132922148 -0.0091044807 -0.0023643979 0.0030728121 -0.0011926137 0.0018328507 -0.0049166901 -0.0097486245 -0.0053047226 -0.0117807114 -0.0058098930 -0.0045754918 -0.0002698235 -0.0013897481 -0.0010241354 0.0129954303 0.0022533094 -0.0118762000 -0.0176607423 -0.0016590689 0.0113715780 0.0001985972 0.0029103945 0.0000006738 -0.0004211325 -0.0018783074 -0.0058615719 -0.0035986045 -0.0020058276 0.0085690683 0.0012292982 -0.0040607284 0.0007380284 0.0010031801 0.0012528958 0.0068744859 -0.0025056397 -0.0034771656 -0.0002735577 0.0065356472 0.0057125846 0.0018886687 -0.0020390673 0.0062003939 -0.0015896577 0.0100179032 0.0154854288 -0.0801958307 0.0882573319 -0.0490737346 0.1214751002 0.0025237585 -0.1438894707 0.1215794628 -0.1810249138 0.1623225656 -0.0125967148 -0.0352803982 -0.0393610280 0.0470019636 -0.3558745329 0.0845912812 0.0190321169 0.5559838044 -0.2519367275 -0.0479965686 0.0478143148 0.0277921214 -0.0163840498 0.2052135257 0.0755528768 -0.1460801536 -0.3063001654 -0.1509458544 0.3918825934 -0.0109110484 0.0115927270 0.0330687644 -0.0066245779 0.0056497604 -0.0173499900 -0.0311604963 0.0199441043 0.0058299672 -0.0013035668 0.0009133818 0.0012222317 0.0024558160 0.0033127120 0.0000689769 -0.0027928800 -0.0025739923 -0.0053646549 0.0015861908 -0.0036484070 -0.0045232144 0.0033719304 0.0012899478 -0.0006307390 -0.0189561912 -0.0041147811 -0.0074595830 0.0042763993 0.0005231808 -0.0016408179 -0.0008186279 -0.0010710936 -0.0008619619 -0.0185103528 0.0095973554 0.0119693398 0.0104463609 -0.0076077859 -0.0068656308 0.0021325670 -0.0078154444 0.0022771220 0.0386393736 -0.0063402062 -0.0181446687 0.1345127121 0.0261585107 0.0068064582 -0.3158320576 0.1054597683 -0.0694813475 -0.0476952827 0.0277110881 -0.0009183992 0.2836662552 0.2973832325 0.1507599807 -0.1865658448 -0.1541042067 -0.0444569280 0.0461878300 -0.0497042718 0.0416118972 -0.0428458200 -0.2076732448 -0.1377120594 -0.0659902553 0.0119545395 -0.0080045391 0.0004241888 -0.0214391796 -0.0117671723 0.3424918305 0.0446349106 -0.2444882603 -0.4372227635 -0.0402311930 0.2870393602 -0.0038571156 0.0645380747 -0.0042886211 0.0154734601 -0.0314785697 -0.1448311886 -0.0501061409 -0.0442347794 0.1783698128 0.0198103050 -0.0949229308 0.0242701235 -0.0007892950 0.0013393442 0.0001220538 -0.0110909575 -0.0015858646 -0.0076056401 0.0223248318 -0.0170876268 -0.0099967751 0.0003962325 0.0008686738 0.0005974847 -0.0012076870 -0.0016319624 0.0025057177 -0.0046292775 0.0036799072 -0.0034769559 0.0039843541 0.0033043611 -0.0055506934 0.0088894671 -0.0034206824 0.0012685858 0.0025093568 0.0028905724 -0.0019148339 0.0060241505 0.0014650362 -0.0011455967 -0.0169537058 0.0104257971 0.0012959073 -0.0041439642 0.0001010143 0.0025114711 -0.0108343244 -0.0101566780 0.0209287653 0.0224500232 0.0127902618 -0.0291736288 -0.0017414437 -0.0028564634 -0.0024367568 0.0024108912 -0.0012220857 0.0019592624 0.0059383170 0.0153885450 -0.0196903972 -0.0017161782 0.0010007347 0.0016740107 0.0013176119 0.0056491182 -0.0033129093 -0.0050758545 -0.0023109928 -0.0097470766 -0.0005870953 -0.0070521182 -0.0086027907 0.0066569659 0.0029410292 0.0007652779 -0.0340842416 -0.0073647860 -0.0105337435 0.0016806195 -0.0004217240 -0.0030988440 0.0007201158 -0.0021228664 -0.0036854904 -0.0380901075 0.0265523935 0.0306845541 -0.0056070158 0.0026767527 0.0003060353 0.0112978274 -0.0240612719 0.0095674316 -0.0375111827 0.0088711523 -0.0234447194 0.3143180906 -0.1398170729 0.0595286518 0.0139875378 -0.0673056743 0.1062712772 0.0147699752 -0.0132708344 0.0844730598 -0.1316122952 -0.2162688912 -0.1439696395 0.0308239581 0.2308970715 0.0987246089 0.0186586356 0.0028462512 -0.0397029497 0.3070141224 0.2656342246 0.1681953456 -0.3543745263 -0.3919256698 -0.1924138232 -0.0434180697 0.0000393576 -0.0168965651 0.2930312856 0.0530211832 -0.2273940571 -0.1120694103 -0.0203656481 -0.0051366158 0.0210985252 0.0260015657 0.0200533603 -0.0415729722 -0.0500503192 -0.0435730564 -0.0909529440 0.0080674828 0.0694878119 0.0380601827 -0.0179298149 -0.0752965775 -0.0009424470 0.0023603759 -0.0115336846 -0.0053168470 0.0235626594 -0.0023817019 0.0155808285 -0.0317405346 -0.0074533230 -0.0011212949 0.0007964901 0.0011790232 0.0008907665 0.0006736897 0.0005385000 0.0019042447 -0.0037357772 -0.0021945039 -0.0012771921 0.0024748842 -0.0012502852 -0.0013887571 -0.0010364792 0.0000173984 -0.0021200385 0.0000738971 0.0002508279 0.0136603887 -0.0042060824 -0.0010453694 0.0036276087 -0.0017624411 -0.0006755758 -0.0020235115 -0.0014597888 -0.0001721847 0.0094349415 -0.0015785362 -0.0054669888 0.0004401836 0.0042652217 0.0067626218 0.0012830499 0.0042926528 -0.0002612948 0.0012403727 -0.0018522749 0.0007883928 -0.0159208867 -0.0049911764 -0.0134526611 -0.0321187521 -0.0017022393 0.0345138414 0.0641185624 0.0730163399 -0.0264234801 -0.0808254003 -0.0329692859 -0.1434233137 0.0845867182 -0.0354818256 -0.0161608940 0.0738134739 0.0417762483 -0.0283813319 -0.3191337439 -0.0686313887 -0.1290217535 -0.0220900628 -0.0321902619 -0.1245037844 -0.0397337042 0.0107348069 -0.0096218774 -0.5247740998 0.2171223908 0.2395459356 0.4398804840 -0.3984916917 -0.2447321789 -0.0081237828 0.0086392664 -0.0048704826 -0.0011749248 -0.0006730275 -0.0011653402 -0.0132870987 0.0047315775 -0.0037405236 0.0192363589 -0.0091051639 0.0051166452 0.0017928120 0.0005452616 -0.0033894475 -0.0026967722 0.0004542555 0.0019218828 -0.0067102008 -0.0137288448 -0.0065039058 -0.0013156724 0.0025894423 0.0018168527 -0.0169139864 -0.0103657061 -0.0077412636 0.0156574709 0.0144208120 0.0089778601 0.0014916496 -0.0002314092 0.0008415197 -0.0259267283 -0.0040030689 0.0173123000 0.0200677354 0.0030775075 -0.0077483184 -0.0004230720 -0.0029030225 -0.0009481106 0.0006075978 0.0027303445 0.0061051726 0.0036020118 0.0007027941 -0.0074176745 -0.0020842802 0.0040853500 0.0034750608 -0.0007508707 0.0013918695 -0.0104387375 0.0015797380 0.0003650307 0.0029097876 0.0014180025 -0.0000893893 0.0029062183 0.0273163886 -0.0278955051 0.0439011324 -0.0004930819 0.0021997125 -0.0017183515 0.0064053014 -0.0091056205 0.0079233073 -0.0002142590 -0.0033757258 0.0051852381 0.0013649766 -0.0007392314 -0.0032455630 -0.0015613269 -0.0022747801 0.0005601514 -0.0055100472 -0.0021152177 0.0015985825 0.0108515238 -0.0055706212 -0.0008063503 0.0025851874 0.0010698972 -0.0013969342 0.0102912637 0.0046149004 -0.0101625614 -0.0125543038 -0.0071972599 0.0146750576 -0.0009654774 -0.0002837295 0.0014887143 -0.0010471179 0.0011260782 -0.0009516760 0.0049676902 -0.0016767702 0.0123795324 0.0001915602 0.0001238659 0.0000839103 -0.0039761641 0.0020543485 -0.0053494617 -0.0018368697 0.0011125924 -0.0041865435 -0.0054661473 -0.0047550110 -0.0060230128 0.0035589828 0.0013972271 0.0029741822 -0.0152809429 -0.0039601388 -0.0007430286 -0.0069930892 -0.0008159441 0.0008810817 0.0033791341 -0.0021142903 -0.0033087442 -0.0089990882 0.0160086300 0.0187150955 -0.0379687169 0.0285356259 0.0183553431 0.0105647356 -0.0211331592 0.0080635918 -0.0187848720 -0.0126544984 -0.0441074760 0.3709606365 -0.0875280107 0.0518832004 -0.2643301187 -0.0012959314 0.0490333777 0.0571723784 0.0563823071 0.0476147239 -0.1190619627 -0.0857240669 -0.0294881657 -0.4664764353 -0.2664290815 -0.1114799645 0.0503384407 0.0595880427 0.0384145338 -0.2988829702 -0.1945413277 -0.1007586993 -0.2387543188 -0.1274220689 -0.0793007643 0.0031060730 -0.0189535731 -0.0164895398 -0.3308345018 -0.0346077207 0.1306589719 0.1950897645 0.0299102021 -0.0896400305 0.0170525151 -0.0232144772 -0.0156335087 -0.0674592828 0.0158685784 0.1012218908 -0.0611202102 -0.0162203996 -0.0095151808 -0.0122756044 0.0552855301 0.0876559628 -0.0011802561 0.0019611101 -0.0073639173 -0.0120776796 0.0187675312 -0.0062089452 0.0449332326 -0.0471973876 -0.0146550521 -0.0016171989 0.0000603287 -0.0018412095 0.0001157364 0.0002238360 0.0000790035 0.0019149916 -0.0048358914 -0.0016294145 0.0041449533 -0.0004229372 -0.0011761135 0.0012701234 -0.0008049880 -0.0003601907 -0.0021421811 0.0018049733 -0.0008086467 0.0083054593 -0.0012118254 -0.0011343007 0.0168996607 -0.0002662022 -0.0023212142 -0.0072280819 -0.0016826996 0.0042953155 0.0192228248 -0.0082556103 0.0036816333 0.0228115516 0.0214267234 -0.0124660958 0.0002589553 0.0029342767 -0.0009079256 0.0039870243 -0.0037442117 0.0020783851 -0.0209543643 0.0115288064 -0.0461684240 -0.0001405183 0.0020523080 0.0055733747 -0.0241465564 0.0139994194 -0.0290851929 -0.0144960965 -0.0088847242 -0.0404673740 -0.0172055988 -0.0281841723 -0.0316212737 0.0215483703 0.0074690243 0.0101822505 -0.0916616313 -0.0288237120 -0.0096255101 -0.0415891026 -0.0040342278 -0.0017562625 0.0079712555 -0.0138768140 -0.0123658547 -0.0081753484 0.0300158753 0.0437927231 -0.1114946714 0.0768067220 0.0489183612 0.0177305493 -0.0364315917 0.0299113867 -0.1158219782 0.0672277732 -0.0569375046 0.3590963142 -0.0964335594 0.0490437282 0.5813164959 -0.2039218537 0.1576135315 0.0138467029 -0.0323734905 -0.0061641560 0.3156226540 0.1763091622 0.0578403897 -0.1905642758 -0.1543648022 -0.0715833348 -0.0304372551 -0.0244194166 0.0074529071 0.0183815934 -0.0285837473 -0.0364347904 0.2296107072 0.1912193588 0.1175312596 -0.0173345853 -0.0023314841 0.0191018553 0.1185544087 -0.0076563069 -0.0194900198 0.0593124949 0.0239254295 0.0094203040 -0.0001536982 0.0026284245 0.0039300840 0.0307170864 -0.0153198155 -0.0446826508 0.0107831333 0.0192775543 -0.0276863882 0.0059313608 0.0075450582 -0.0363086430 -0.0001963090 0.0018821793 -0.0299691435 0.0011012716 0.0309905755 0.0307852692 0.0818768446 -0.1385146690 0.0157372475 -0.0072439687 0.0071559556 -0.0030424114 0.0046504291 0.0091104413 -0.0019584794 0.0299198441 -0.0467064891 0.0078930546 0.0043767791 -0.0102131400 0.0201643326 0.0029150852 -0.0253467722 -0.0148908585 -0.0292862913 0.0045303968 0.0051199591 0.1088747500 -0.0280002145 -0.0118338420 0.0781102884 -0.0264049046 -0.0093439196 0.0052924115 -0.0054571738 -0.0031213986 -0.0020000931 -0.0048793270 -0.0049305599 0.0055297746 0.0058163173 0.0210735843 0.0043335420 0.0104830687 -0.0008689966 0.0001423606 -0.0024997743 0.0003962003 -0.0342485434 -0.0258091382 -0.0064920768 -0.0001799940 -0.0010111516 -0.0066863640 0.0229507226 -0.0111228128 0.0245307743 0.0145741807 0.0115928016 0.0431801460 0.0119816281 0.0220211320 0.0216408079 -0.0176917547 -0.0047294061 -0.0057778439 0.0583530992 0.0193810619 0.0087118286 0.0444566111 0.0064703928 0.0067939887 0.0007173318 0.0051100950 0.0036971480 -0.0172151679 0.0046534137 0.0009840147 0.0513220173 -0.0246519768 -0.0233498858 -0.0028670182 0.0048299957 -0.0077474438 0.0106451180 -0.0089158270 0.0094371583 -0.0513942095 0.0332152435 -0.0025222659 -0.0375486673 0.0258156859 -0.0366446134 -0.0019721724 0.0020620146 -0.0020529397 -0.0330371711 -0.0180203302 -0.0053865519 0.0343691349 0.0203613241 0.0092229366 0.0007915861 0.0003945825 -0.0027140385 0.0053910880 0.0089385681 0.0076340780 -0.0056291296 -0.0077404919 -0.0057419759 -0.0012442250 0.0004403352 0.0005280567 0.0054147669 0.0024769237 -0.0053362421 0.0011763567 -0.0016229655 -0.0049116794 -0.0004132412 0.0000910502 0.0016886041 0.0023212785 -0.0019257469 -0.0032086559 0.0035398898 0.0028037088 -0.0036031365 0.0012681163 -0.0019392949 -0.0083632263 -0.0001114516 -0.0002137670 0.0056356044 -0.0002630642 -0.0046529200 -0.0027770142 -0.0116241207 0.0217277157 0.0001573818 0.0018128090 -0.0022140106 0.0023063008 -0.0245801338 0.0592646123 -0.0176310030 0.1728022521 -0.3338423006 0.1075817546 0.1926975996 -0.1441522330 0.1434447745 0.1868155230 -0.1917375932 -0.1259182902 -0.1097987851 0.0340136108 -0.0013361032 0.3214216202 -0.0765775107 -0.0403839377 0.4772650282 -0.0722397688 -0.0551078830 -0.0275671158 -0.0275027285 0.0576682243 0.0658482801 -0.0019495329 -0.0163336059 0.3130598469 0.1748843483 -0.2456935152 0.0068510058 -0.0038872910 0.0011824386 0.0139784787 -0.0116824846 0.0017909066 -0.0841743448 0.0962083322 -0.2730301201 -0.0017378276 -0.0028296312 0.0392333868 -0.1340721035 0.0742242346 -0.1798895502 -0.0928907697 -0.0420980316 -0.2493195460 -0.0603639450 -0.1275527392 -0.1165426494 0.1209819238 0.0318706979 0.0418264526 -0.3388817986 -0.1244246891 -0.0269095649 -0.4003535365 -0.0584256009 -0.0628868354 -0.0088428380 -0.0134911749 -0.0241282871 0.1104070023 -0.0410116274 -0.0438827104 -0.3408698207 0.1041249357 0.1669332251 -0.0025090421 0.0058477227 0.0057192340 0.0151656416 -0.0045801271 0.0077372602 -0.1015520618 0.0132619847 -0.0199534832 0.0217456711 -0.0085672039 0.0116759323 -0.0059906079 -0.0105543869 -0.0026574694 -0.0141995672 -0.0271980622 -0.0197624698 0.0810786096 0.0458420349 0.0228040437 -0.0159501824 -0.0032385161 0.0112866762 0.0828544005 0.0703888461 0.0476916684 -0.1318000508 -0.0339343002 -0.0356349212 0.0793720534 0.0143017868 -0.0411891440 -0.2315224965 -0.0159874216 0.1225764439 -0.2731103620 -0.0453548933 0.1297678156 -0.0089411722 -0.0004452446 -0.0379196430 -0.0623461591 0.0867370561 0.1258580741 -0.0233698606 -0.0984608513 0.1307756647 -0.0403162106 -0.0109059753 0.2116252194 0.0008610758 -0.0017020513 -0.0031710004 -0.0085334538 0.0115870265 0.0016599784 0.0218415352 -0.0415373400 -0.0060142801 -0.0021459710 -0.0025730131 -0.0115988328 -0.0021776609 0.0090228392 -0.0019824986 0.0282575966 -0.0422876207 0.0312888817 0.0089429880 -0.0151111839 0.0221424093 0.0364870620 -0.0318105088 -0.0195664781 -0.0175420681 0.0040880162 0.0013641064 0.0689213647 -0.0182787636 -0.0069356862 0.0439657413 -0.0109808346 -0.0054431026 0.0055559440 -0.0021876487 -0.0001902459 -0.0281450074 -0.0013319436 0.0114283546 0.0144844020 -0.0004209398 -0.0150976761 -0.0009161622 -0.0007211115 -0.0016846203 0.0006597700 0.0007376775 0.0008496226 0.0032972527 -0.0031976853 0.0052066657 -0.0013958821 -0.0021440468 0.0276560475 -0.0927167602 0.0515171916 -0.1246645679 -0.0646197722 -0.0307000072 -0.1738373351 -0.0393379689 -0.0877205180 -0.0791343136 0.0839694901 0.0213635094 0.0279027970 -0.2284841180 -0.0856104948 -0.0180595596 -0.2822145267 -0.0408056650 -0.0444015443 -0.0095653137 -0.0073732710 -0.0144461295 0.0904223098 -0.0417270360 -0.0466827479 -0.2170788964 0.0558800132 0.1064999917 -0.0053607141 0.0101235672 -0.0022069918 0.0329612007 -0.0268555189 0.0094338742 -0.0739844829 0.0574034631 -0.0110929674 -0.1754065063 0.0571369009 -0.0577848225 -0.0032295752 0.0233659954 -0.0027822610 -0.0737303507 -0.0090201488 0.0062726837 -0.0170023192 -0.0235175882 -0.0064907240 0.0318089370 0.0110804984 -0.0185991622 -0.1283824538 -0.0976893891 -0.0615893126 0.1459824971 0.0106662736 0.0257313475 -0.1129417493 -0.0200193075 0.0569476577 0.3151157195 0.0277783370 -0.1793407339 0.3864483828 0.0587240309 -0.1961495588 0.0110501038 0.0001801705 0.0581023733 0.0931783974 -0.1269754707 -0.1835055179 0.0440307111 0.1460894417 -0.1948425818 0.0593822720 0.0094249838 -0.3192672388 0.0006335479 -0.0010985228 0.0051176864 -0.0064700887 -0.0016160399 -0.0071551429 0.0033263295 0.0061239153 -0.0081327437 -0.0006512095 -0.0014046903 -0.0077136873 -0.0032307978 -0.0019187094 -0.0008046090 -0.0037308735 0.0081135529 0.0098644459 0.0016069178 -0.0002536279 -0.0053138480 0.0126932776 0.0059411825 0.0012775863 0.0081037690 -0.0006287317 -0.0067185213 -0.0515677919 0.0073020181 0.0088083748 0.0169353324 0.0110734981 -0.0025371036 -0.0143359146 -0.0022883864 0.0176409001 0.0515136340 0.0191347969 -0.0415657598 0.0396459569 0.0219061579 -0.0498044190 0.0003011912 0.0021331598 -0.0004252611 0.0044447623 -0.0036227776 0.0017993507 -0.0211752846 0.0226968305 -0.0626929660 0.0003152343 -0.0003429233 -0.0014452993 0.0019788103 -0.0009040180 0.0013843056 0.0024794291 0.0042013665 0.0078349094 -0.0008158830 0.0013085453 0.0006112818 -0.0025598910 -0.0001188228 0.0006870034 0.0055615567 0.0033841734 0.0014780459 0.0074046520 0.0001801953 0.0009657664 0.0030631119 0.0003436036 0.0002350815 -0.0119506806 0.0080190328 0.0095518129 -0.0162010220 0.0131745916 0.0104477546 0.0022139463 0.0081530994 0.0098173091 0.0183662049 -0.0089128936 0.0032466560 -0.0327138028 -0.0104492906 -0.0100801650 -0.0960672454 0.0178549851 0.0009866490 -0.0070626584 0.0054783716 0.0004605510 -0.0217747313 -0.0042176799 -0.0023753337 0.0126381298 0.0055889021 0.0060977204 0.0166842901 0.0095984622 -0.0006885138 -0.0511716415 -0.0345934759 -0.0178394520 -0.0136934565 -0.0280848246 -0.0139501711 -0.0215210100 -0.0053002713 0.0083949579 0.0367908364 0.0042575001 -0.0290666590 0.0763581631 0.0113042313 -0.0401670078 0.0037016516 -0.0003864889 0.0093422467 0.0077258042 -0.0237264662 -0.0266940281 0.0012205265 0.0246170712 -0.0323135466 0.0110129609 0.0011814334 -0.0502819466 -0.0010938147 -0.0020193870 -0.0078387173 -0.0045384657 0.0038525760 -0.0045468355 0.0024277245 -0.0118172086 -0.0087121612 0.0013134035 -0.0046695222 -0.0014604264 0.0103119521 0.0331182989 0.0007251392 0.0937879618 -0.1393479428 0.0556815939 -0.0056425143 -0.0345645859 0.0907475035 0.0520860238 -0.1238669781 -0.0611752028 -0.0846443080 0.0145451865 0.0439074838 0.4852154797 -0.0819692711 -0.0764645421 -0.0502200260 -0.0753803563 0.0100678209 0.1068530516 0.0166085541 -0.1161927262 -0.4639568066 -0.1385688409 0.3517742998 -0.2193468637 -0.1523801050 0.2423084871 -0.0192567673 -0.0235205730 0.0035231876 -0.0140880390 0.0192406334 -0.0046717560 0.1458957820 -0.0668512017 0.3073527592 0.0094763045 0.0011077863 0.0050023092 -0.0178022578 -0.0096139086 0.0029840493 -0.0133271400 0.0195389803 -0.0466303152 -0.0605896332 -0.0008640023 0.0029334770 -0.0093046623 0.0005383099 -0.0003937725 0.0063289566 0.0163997134 -0.0145921076 0.0431944058 -0.0071501007 -0.0100072705 0.0137427302 -0.0001145508 -0.0030552995 -0.0805059084 0.0296293003 0.0311264162 -0.0382516318 0.0085529744 0.0290041463 -0.0006060049 0.0019678291 -0.0019821918 0.0114718110 -0.0081260557 0.0051595420 -0.0478118492 0.0333275965 -0.0061553439 0.0117163571 0.0031097567 -0.0153953541 -0.0075388252 -0.0022952652 -0.0030304364 -0.0003466972 -0.0040986297 -0.0124827566 0.0397231240 0.0049591018 0.0097217785 0.0049029510 0.0030823179 0.0001485936 -0.0125198135 -0.0010129113 0.0070219679 -0.0147705137 -0.0024426278 -0.0082884942 -0.0018326707 -0.0005932355 0.0002178510 -0.0030552490 -0.0002609140 0.0003679111 0.0058958120 0.0011305131 -0.0028786708 0.0018569359 0.0003396746 -0.0025095829 -0.0120982321 0.0011421619 0.0088207576 -0.0053597072 -0.0045052514 0.0067287473 0.0008286686 -0.0039332380 0.0107851858 0.0000016121 -0.0006867229 -0.0017943107 -0.0108439023 0.0106610596 0.0008733932 0.0223362480 -0.0270619977 -0.0041199532 0.0018522644 -0.0079779508 0.0009243714 0.1039417728 -0.0764700367 0.0043316118 -0.1231208614 0.3711436743 -0.1507239127 -0.3610829218 0.1601586255 -0.1124608066 -0.4097363947 0.2278854058 0.1528813867 -0.0856979482 0.0272733560 0.0185617443 0.2717257383 0.0162940361 -0.1058123694 0.2351759053 0.0137199482 0.0003929044 0.0156749939 -0.0074562171 -0.0000515353 -0.1580796369 -0.0053299761 0.0590782917 0.0632311724 0.0039307467 -0.0913031821 -0.0168124900 0.0111531261 0.0217538076 0.0271532913 -0.0255635187 0.0059538830 -0.1405857388 0.1621327540 -0.3577996363 -0.0029075529 -0.0001834278 -0.0012456821 0.0082878681 0.0022374273 0.0023292519 0.0023385382 -0.0049269388 0.0105291509 0.0153378279 0.0015525642 0.0010581355 0.0034412030 -0.0006902213 -0.0005979390 -0.0016291617 -0.0052005103 0.0025499106 -0.0133936180 0.0021848316 0.0030498046 -0.0064057482 0.0001654414 0.0017797941 0.0337853468 -0.0134423380 -0.0138563553 0.0232417500 -0.0069655522 -0.0161696407 0.0013820113 -0.0010765987 0.0011620992 0.0002338639 0.0179513578 0.0079424826 -0.0555633742 0.0000489359 -0.0089662457 0.1381493675 -0.0111145910 0.0036062581 -0.0759215350 -0.0451750771 -0.0201432250 0.2074939728 0.1147143747 -0.0277068715 0.2818473651 0.0940888907 0.0786669103 0.0837952963 0.0453543698 0.0005125675 -0.2591395261 -0.1176305965 0.0021059263 -0.1102733323 -0.0455046124 -0.0811439764 -0.0911625711 -0.0222066001 0.0372946772 0.1538037324 -0.0304121546 -0.0343317075 0.2977360811 0.0897811280 -0.0744382933 0.0799738727 0.0134155386 -0.0938507801 -0.3896018419 0.0325762907 0.2704825073 -0.2807649072 -0.1539251897 0.2459347707 0.0220482998 -0.0447865525 0.3939815305 -0.0001653441 0.0001334245 -0.0005795490 0.0036660485 -0.0063168153 0.0038736551 -0.0095427597 0.0092489917 0.0078511676 -0.0009632198 0.0040566705 0.0000559247 -0.0036661812 0.0019521017 -0.0002324483 0.0019242858 -0.0090773104 0.0028500018 0.0129842991 -0.0056467151 0.0027533983 0.0118138443 -0.0064696301 -0.0044321752 0.0043044410 -0.0010974854 -0.0021661147 -0.0218253416 0.0005496548 0.0065547601 -0.0009764724 0.0006823485 -0.0012781493 -0.0031531694 -0.0013452695 0.0058983610 0.0166086674 0.0136513885 -0.0261834351 0.0039689786 -0.0022775381 -0.0123985937 0.0026002684 0.0019906454 -0.0022285101 -0.0016629618 0.0006621281 -0.0001880644 0.0011247901 -0.0135453120 0.0161330050 0.0819723793 0.0143738197 0.0570366524 -0.3056647149 -0.0089191471 -0.1581848754 -0.0525346291 0.0417451323 -0.3144747644 -0.3464578677 -0.1297392916 -0.1127711459 -0.0872521989 0.0025917981 -0.0084516944 0.1042252122 0.0932534815 -0.0246962393 0.3094899606 -0.0100239241 -0.0283498979 0.0935669169 -0.0208751327 -0.0253939167 -0.4323333473 0.1815505383 0.2130882737 -0.2167783099 0.1119361022 0.1508163026 -0.0017601674 -0.0030221066 0.0063755771 0.0209378609 -0.0020944028 0.0009189401 -0.1038604612 0.0011175728 -0.0306604509 0.0386730000 -0.0261771887 0.0436902115 -0.0327179324 -0.0150557869 -0.0075151321 0.0770249043 0.0314548928 -0.0379171846 0.1176046840 0.0054640592 0.0325869086 0.0290135541 0.0217484794 0.0126876956 -0.0763396582 -0.0468099443 -0.0166166714 -0.1060838962 -0.0585623068 -0.0436761598 0.0040769357 -0.0035519880 -0.0097502818 -0.0698612025 -0.0004933781 0.0103206744 -0.0038736165 -0.0039118784 -0.0075819606 -0.0088769949 -0.0018415778 0.0178991408 0.0377942769 -0.0223421453 -0.0426039894 0.0442493419 0.0344131331 -0.0517737925 0.0043697380 -0.0121745946 -0.0719857386 0.0008639213 0.0003649275 -0.0104048957 -0.0183555369 0.0270447818 0.0079715795 0.0477395571 -0.0859037682 -0.0060516648 -0.0034954238 -0.0213895149 0.0026414426 -0.0219797329 0.0123298358 -0.0002836917 0.0220919995 -0.0839430906 0.0151107991 0.0883175860 -0.0194617333 -0.0027687530 0.0764394563 -0.0149561992 -0.0161946511 0.0206992132 -0.0060853370 -0.0015902673 -0.0705144550 0.0008783836 0.0254068631 -0.0561467961 -0.0104065561 -0.0003151691 -0.0025500930 0.0044310238 0.0003108753 0.0121456642 0.0135369727 -0.0208383320 -0.0341222233 -0.0209189760 0.0120685806 -0.0009147536 0.0050575099 0.0024227323 0.0037922568 -0.0033417973 0.0011965148 -0.0272616927 0.0087608013 -0.0381592332 -0.0309723931 -0.0043758256 -0.0252879484 0.1244275452 -0.0014528060 0.0728422931 0.0268688888 -0.0128178499 0.1379387704 0.1324254018 0.0558831551 0.0458746229 0.0251568299 0.0005996814 0.0031008689 -0.0473863134 -0.0359464023 0.0133235867 -0.0747693141 0.0123698513 0.0197748719 -0.0215403573 -0.0015083693 0.0019108499 0.1068147358 -0.0188894819 -0.0155231692 0.0416244653 0.0078161955 -0.0412977239 0.0056337099 -0.0096673576 0.0074515312 -0.0020357500 0.0344853798 -0.0037817570 -0.0467978893 -0.0877428008 -0.0253685883 0.1559584540 -0.0535575405 0.0971901505 -0.0895523717 -0.0546344258 -0.0150170874 0.2870984491 0.1258251222 -0.0778740338 0.2847058328 0.0355751682 0.0856877183 0.0888651246 0.0681569486 0.0450517101 -0.2270912667 -0.1402801145 -0.0475124523 -0.3689381757 -0.1946951033 -0.1440920848 0.0300961233 -0.0100324770 -0.0420879981 -0.2750806795 -0.0015643577 0.0492893418 -0.0660608162 -0.0241116911 -0.0031969042 -0.0413771509 -0.0086414697 0.0729892206 0.1853256374 -0.0806188711 -0.1848760832 0.1792282063 0.1382928551 -0.2091273888 0.0084706664 -0.0260131480 -0.2878855733 -0.0004742821 0.0006274449 -0.0064101650 0.0013574655 0.0018342387 0.0083941578 0.0031156383 -0.0210532196 0.0084673929 -0.0007709469 0.0072131103 -0.0005649502 0.0080306920 -0.0056116116 0.0001873347 -0.0111229262 0.0300070978 -0.0163609319 -0.0239770069 0.0078279466 -0.0049193377 -0.0353906428 0.0108391776 0.0088979733 -0.0079544108 0.0031541545 -0.0029240202 0.0057654958 -0.0022505251 -0.0009481504 0.0483599811 0.0010156303 -0.0054311889 -0.0052489921 -0.0070527218 0.0133041100 0.0358528921 0.0175569897 -0.0426498723 0.0398831066 0.0161051589 -0.0335960437 0.0074140901 0.0004796627 -0.0102374826 -0.0074468221 0.0052684432 -0.0005737476 0.0311741293 -0.0517299283 0.0894799244 -0.0252937746 -0.0030962997 -0.0251059025 0.1031613318 -0.0105784674 0.0711358829 0.0294122346 -0.0124743987 0.1296775707 0.1127068051 0.0577025569 0.0463638033 0.0159118131 0.0037768744 0.0024573786 -0.0514368036 -0.0425115047 0.0335576497 -0.0441565037 0.0267787798 0.0331606863 0.0011035152 -0.0041618718 -0.0066232849 -0.0084252178 0.0256271623 0.0310013906 -0.0405395754 0.0275438591 0.0136513696 0.0020624509 -0.0043881992 0.0027516577 0.0077129871 -0.0008551935 -0.0000766209 -0.0365581607 0.0021763983 -0.0111304975 0.0481111601 -0.0203706030 0.0254660735 -0.0091237883 -0.0046426450 -0.0025091662 0.0253283032 0.0036297703 -0.0227895606 0.0376832442 -0.0131301601 0.0087620925 0.0044342059 0.0037831009 0.0028731583 -0.0145663313 -0.0043830655 0.0041856367 -0.0210947870 -0.0011879205 -0.0078320119 0.0030748339 -0.0003969412 -0.0028783868 -0.0201763698 -0.0005139349 0.0056979451 -0.0068753398 -0.0017974211 0.0019511091 -0.0027411151 -0.0004281194 0.0035225681 0.0090159480 -0.0030754666 -0.0081923822 0.0122109715 0.0061656209 -0.0101247890 0.0001829020 -0.0037655419 -0.0133857200 0.0002315832 0.0001008629 -0.0060584813 -0.0127367480 0.0168951171 0.0030573050 0.0363957793 -0.0477757936 -0.0047985381 0.0014578941 -0.0041812502 0.0009088335 -0.0391502044 0.0247540710 -0.0014405337 0.0411008159 -0.1034952699 0.0948748816 0.0866767032 -0.0412291148 0.0373601943 0.1722014217 -0.0643406553 -0.0490729823 0.0532341530 -0.0205796475 0.0092780125 -0.0849319965 0.0256743715 0.0067142114 -0.2516632036 0.0182447758 0.0323534577 0.0210522146 0.0338649806 -0.0416984609 -0.2174299594 0.0131277794 0.0813499035 -0.2366411556 -0.1629756169 0.0639575742 -0.0359122886 0.0198334444 0.0651131429 0.0488480295 -0.0436358456 0.0027426947 -0.2868235573 0.3179174326 -0.6595327291 -0.0578865903 -0.0052650682 -0.0696800813 0.2757484869 -0.0439885399 0.2181432092 0.0762534244 0.0027740015 0.3343905838 0.2323203902 0.1595257910 0.1225521779 0.0157216316 0.0205803657 0.0159477542 -0.1972072548 -0.0877441905 0.0531748045 0.0460671326 0.0606272101 0.0728609848 0.0713558271 -0.0490051958 -0.0496431045 -0.2935641156 0.2377148034 0.3047245266 -0.3395825042 0.2510582678 0.1558866271 -0.0016809026 -0.0072346618 0.0264275474 0.0371496047 -0.0257114791 0.0023930432 -0.1494556101 0.0365343007 -0.0394848550 -0.0632998451 -0.0148205974 0.0295008794 0.0064415974 0.0132645153 -0.0016987920 -0.0671788894 -0.0328070285 -0.0107036807 -0.0006570571 -0.0173193110 -0.0041581536 -0.0116928800 -0.0078363725 -0.0062618710 0.0325288307 0.0118757451 -0.0086583676 0.0603260360 0.0147783061 0.0227169976 -0.0068787519 0.0015904153 0.0077465639 0.0446490285 0.0024397253 -0.0120922851 0.0179329251 0.0028697862 -0.0076907281 0.0064825332 0.0014230633 -0.0101333175 -0.0296492515 0.0113846376 0.0290032577 -0.0219837900 -0.0199677390 0.0299055880 0.0007596155 -0.0007573185 0.0357242595 0.0009570974 0.0007578728 -0.0255250183 -0.0321436699 0.0492080669 0.0082074515 0.0831516329 -0.1493392932 -0.0183546210 -0.0027641600 -0.0207146832 0.0017254567 0.0041553606 -0.0037253648 0.0016008365 -0.0103707862 0.0064814324 -0.0348884028 0.0078735531 0.0079949166 -0.0151920930 -0.0343491034 0.0134558241 0.0100144502 -0.0051656535 0.0027514486 -0.0042466002 -0.0140573726 -0.0051080697 0.0095015689 0.0491246473 -0.0061391805 -0.0088017015 -0.0066344038 -0.0076183445 0.0179607544 0.0567111644 0.0251822115 -0.0599152076 0.0456591272 0.0158574299 -0.0418782238 0.0102094170 -0.0028241957 -0.0177241138 -0.0125053279 0.0100758313 -0.0007024915 0.0689424955 -0.0828120817 0.1644607045 0.0049909082 0.0014646014 0.0076320374 -0.0267796532 0.0112738379 -0.0300543963 -0.0032700833 -0.0068562458 -0.0226083863 -0.0098554551 -0.0230481086 -0.0203286812 -0.0028270149 -0.0035842977 -0.0052943282 0.0271937838 0.0015551445 0.0051612212 0.0000438275 0.0057546480 0.0055768732 -0.0171734501 -0.0003175176 0.0071203853 0.0836655956 0.0070831618 0.0202314689 0.0748632507 0.0332336588 -0.0600382023 0.0002652213 -0.0026412287 0.0180323219 0.0387895551 0.0567640437 -0.0295867281 -0.2800759063 -0.5658988803 -0.1629392106 -0.2237991923 -0.1840565030 0.5527568301 0.0107630822 -0.0035185626 -0.0175165461 -0.0620126027 0.0486481586 0.1499671892 -0.0727930817 0.1205793948 -0.0335757929 -0.0119736147 0.0031557755 0.0034904814 0.0608297826 -0.0391692836 -0.1221600753 0.1093780065 -0.0737544828 0.0521225144 -0.0069355800 0.0004987310 0.0016303507 0.0416180290 -0.0247203484 0.0253990744 0.0232110185 0.0310393620 0.0285674511 0.0023790229 -0.0009200094 -0.0062754920 0.0019979930 0.0148761698 0.0143730744 -0.0187361720 -0.0144258230 0.0199613387 -0.0041167512 0.0187291693 0.0157163943 0.0012176908 -0.0011888338 -0.0120980203 -0.0004707952 0.0077614457 0.0029001639 0.0180769923 -0.0475677995 -0.0050765340 0.0017767713 -0.0000036099 -0.0016088283 0.0005203471 -0.0021243465 -0.0036800847 0.0046420098 0.0189521898 0.0380192425 -0.0310662608 -0.0036391911 0.0113057508 0.0206548961 0.0030008777 -0.0025573372 -0.0026752576 0.0015892042 -0.0018902993 -0.0042877985 0.0028019610 -0.0023554643 0.0279329301 0.0047598521 -0.0009786576 0.0081578058 -0.0021465643 0.0219377293 -0.0965894637 0.0929346730 -0.0937625641 -0.0212695594 -0.0914450308 -0.1253031119 0.0022293826 0.0023258154 -0.0020597522 0.0002596286 -0.0008454617 0.0002501564 -0.0011501237 -0.0025500584 -0.0014670794 -0.0058472749 -0.0063539483 -0.0177711907 0.1034284497 -0.0154107202 0.0689672505 -0.0018827002 0.0879738186 0.0429058973 -0.0429446849 0.0462542794 0.0404782811 0.0051126920 0.0009203889 -0.0119016949 -0.0407845101 -0.1083525249 0.1441535491 -0.0360084028 0.1237959756 0.1413904465 0.0655782261 0.0483162208 0.0000019228 -0.4075539221 -0.2763218297 -0.4348049945 -0.2449131058 -0.4920894000 0.3197064410 -0.0043446472 0.0123398919 -0.0200143678 -0.0138037165 0.0201827921 -0.0053356004 0.0381029672 -0.0871294225 -0.0018875706 -0.0082031870 -0.0113500196 0.0506749450 0.0024879408 -0.0090728762 -0.0034151351 0.0046689707 0.0284988867 0.0632506801 -0.0349776122 0.0591195822 -0.0104441372 0.0030782428 0.0034191956 0.0022182094 -0.0032497668 -0.0112492599 -0.0166140350 -0.0025409816 -0.0173561055 0.0000502222 -0.0008884299 -0.0009644321 -0.0021824615 0.0001792948 -0.0092936121 0.0107480635 0.0039275380 0.0100441060 0.0114427749 -0.0002662933 -0.0005549131 0.0008013401 0.0063683833 -0.0010404791 -0.0048254270 -0.0048678844 0.0021539414 -0.0025790062 -0.0014816395 0.0072793595 -0.0019595266 -0.0003206797 -0.0024346933 0.0191512748 0.0209870550 -0.0329569725 -0.0048748163 -0.0498193597 0.0831900940 0.0096284863 -0.0078975979 0.0123698763 0.0007363414 -0.0014784496 -0.0008487957 0.0002220870 0.0040651780 -0.0152668264 -0.0026438025 0.0114203645 0.0097829468 -0.0173176751 0.0058518249 0.0190205779 0.0073328381 -0.0009165272 0.0024220843 0.0004545295 -0.0012638288 -0.0092772381 0.0145492882 0.0060776077 -0.0195685234 -0.0073564998 0.0065520406 0.0000320524 0.0096503573 -0.0651114571 0.0498407262 -0.0436081091 -0.0246052786 -0.0596099044 -0.0627398120 0.0027398225 0.0004918511 -0.0024359336 -0.0021740862 0.0008357233 -0.0002557553 0.0105235897 -0.0095689498 0.0198370552 -0.0052356833 -0.0032198118 -0.0083510340 0.0307617900 -0.0258479603 0.0538316275 -0.0082500418 0.0165871909 -0.0019812946 -0.0127397683 0.0394563889 0.0412583471 0.0073799911 0.0032616949 0.0162240717 -0.0219604854 0.0517868020 -0.0812099948 -0.0022403893 -0.0715945400 -0.0758800486 0.0084942440 0.0035052618 -0.0027116729 -0.0397635462 -0.0261249620 -0.0424392837 -0.0545030572 -0.0396335175 0.0482150277 -0.0000636493 0.0035473198 -0.0100870048 0.0072154967 0.0198569383 -0.0059850612 -0.0870891489 -0.1567833069 -0.0443175398 -0.0458077257 -0.0445476819 0.1454217481 0.0003735685 -0.0061460931 -0.0082403679 -0.0086645065 0.0235806833 0.0545119955 -0.0073962741 0.0540229939 -0.0072550221 0.0005529833 0.0022505607 0.0015780120 0.0045987101 -0.0119865689 -0.0247039384 0.0152054697 -0.0160566748 0.0069710376 -0.0023073609 -0.0001844495 -0.0012712700 0.0097638918 -0.0120286943 0.0133104625 0.0081429086 0.0138645788 0.0130943964 0.0001065352 0.0002845409 -0.0009170936 -0.0030398197 0.0018980242 0.0035190799 0.0019408685 -0.0024223597 0.0029516702 0.0003716813 -0.0033661156 0.0009060312 -0.0001035445 0.0009531176 0.0069800454 0.0045079439 -0.0096392141 0.0000621546 -0.0086671656 0.0243899807 0.0052377606 -0.0016723057 0.0015239428 0.0000533237 -0.0005141595 0.0053692490 0.0210328586 -0.0396516400 -0.0954598267 -0.2495066866 0.1955991764 0.0200159783 -0.0788610771 -0.1527301708 -0.0003746103 0.0263434108 0.0014177704 -0.0049542851 0.0092581842 0.0230305994 0.0320637199 -0.0439470163 -0.0407489441 0.0318879416 0.0217497829 -0.0381696980 -0.0015383573 -0.0718202506 0.3830300301 -0.3411980615 0.3215810799 0.1617047680 0.3908594023 0.4170437720 -0.0125284564 -0.0000799662 0.0153591946 0.0078479082 -0.0055449447 0.0001813013 -0.0547000676 0.0490873403 -0.0941897320 0.0005892173 -0.0009256403 0.0009600278 0.0076259032 0.0055052989 -0.0050275720 -0.0025968906 0.0125905959 -0.0021040506 -0.0087837718 -0.0044713713 -0.0033879772 0.0001567305 -0.0018244382 -0.0026116549 0.0092308437 -0.0063588567 0.0115537456 -0.0081192616 0.0099909333 0.0117854436 -0.0018329483 0.0069969788 0.0033359503 -0.0049059845 -0.0292969732 -0.0440401062 0.0117674415 -0.0465696198 0.0065326338 0.0058098490 -0.0089454127 -0.0004162452 0.0111139192 0.0138559190 -0.0119053411 -0.0686115293 -0.1666188173 -0.0484839127 -0.1064363925 -0.0485788175 0.1687417228 0.0010504588 0.0447245576 0.0232801673 0.0819029368 -0.0794057514 -0.3003593401 0.1037515110 -0.3242756418 0.0351411724 0.0115422327 -0.0596057699 -0.0303573068 -0.2005039904 0.1291497709 0.4444815738 -0.1474361242 0.4738115366 -0.1017190032 0.0091550601 0.0070679491 0.0248592344 -0.0299435339 0.1162178596 -0.1388021034 -0.0526334070 -0.1320195388 -0.1434042227 -0.0021292207 0.0177800229 0.0012008057 -0.1443258843 -0.0436018411 0.0250458230 0.1551632496 0.0123180885 -0.0263823543 0.0431566172 -0.2211949503 -0.0006489436 -0.0007482863 0.0000844233 -0.0015943981 -0.0045016860 0.0086714207 0.0033596293 0.0083544476 -0.0258529005 -0.0000463343 -0.0004190386 0.0022655388 -0.0000949830 -0.0005052376 0.0001413754 0.0019220812 -0.0026637497 -0.0132656696 -0.0250453935 0.0230441961 0.0040408747 -0.0124363099 -0.0132987576 0.0053838614 0.0045562122 -0.0007689299 0.0014111596 0.0005156025 0.0007370485 -0.0020607322 0.0041935026 0.0043269547 -0.0069954826 -0.0027386281 -0.0001950921 -0.0013250425 0.0015062236 -0.0019202275 0.0027934933 -0.0040076333 0.0059532001 0.0009552740 -0.0066183645 0.0006490809 0.0014133476 -0.0025627952 -0.0003591291 -0.0000231572 0.0006671735 0.0025974523 -0.0096132018 0.0136263253 -0.0093537694 -0.0071955647 -0.0138065632 0.0697609421 -0.0325181472 0.0830254086 -0.0148976472 0.0532094440 0.0099576692 -0.0300032424 0.0559463054 0.0589787477 0.0011844965 0.0058193919 0.0440514042 -0.0157218341 0.1831218312 -0.2539411367 0.0880168236 -0.2181633946 -0.2305413864 0.0146499877 -0.0000196298 -0.0032176757 -0.0514379540 -0.0275152038 -0.0406614359 -0.0848321754 -0.0259094247 0.0693476053 -0.0041311553 0.0070663534 -0.0069121700 -0.0048249336 0.0080071222 -0.0020367489 0.0032434012 -0.0372314763 -0.0039903791 -0.0043910548 -0.0060449333 0.0249564916 0.0024851374 -0.0046558619 -0.0028670954 -0.0043172241 0.0140970719 0.0384594477 -0.0195769952 0.0352638071 -0.0068698235 0.0052506669 -0.0031640585 -0.0016249952 -0.0279294615 0.0062562685 0.0396937779 -0.0244421999 0.0390141944 -0.0144448247 -0.0001177850 0.0001382098 0.0004648182 -0.0032734258 0.0035381143 -0.0042976495 -0.0011828957 -0.0043517449 -0.0056854239 -0.0003183060 0.0022667386 0.0008828088 -0.0191826228 -0.0089024903 -0.0002551004 0.0188811768 0.0044635586 -0.0072395501 0.0054780889 -0.0291117360 -0.0006397852 0.0005105598 -0.0001852236 0.0074406459 0.0092540776 -0.0130910113 -0.0020485455 -0.0190963640 0.0315682429 0.0035078046 -0.0020600320 0.0019162084 -0.0015397651 0.0055356240 -0.0110548847 -0.0336439021 0.0593414969 0.2330092516 0.4966785595 -0.4333687537 -0.0451347160 0.1840900385 0.3056622006 -0.0587327823 -0.0661665351 0.0000853902 -0.0223799391 -0.0144927214 0.0221817300 0.0690227861 -0.1357717131 -0.0140755194 0.1993849259 0.0663002289 -0.0127507640 -0.0025488531 -0.0084073476 0.1141849938 -0.0642360468 0.0403007164 0.0486501143 0.0907761475 0.0785567231 0.0024458261 -0.0061774639 0.0060187811 -0.0034740812 0.0045647347 -0.0044795306 0.0001972200 -0.0012421466 0.0022661336 -0.0008404420 -0.0093276640 -0.0033218760 0.0999576936 0.0033913868 0.0430191396 -0.0323940026 0.1238599192 -0.0242040274 -0.0989581883 0.0166593578 0.0264779299 0.0043416225 -0.0050287349 0.0116826116 0.0094851383 0.0588560025 -0.0880087414 0.0126969207 -0.0682200193 -0.0655387735 -0.0060878101 0.0130378518 0.0076291570 0.0126560364 -0.0627672246 -0.0898165297 0.0122465607 -0.0788638672 0.0173407521 0.0097772988 -0.0196599529 0.0091101715 0.0134434394 -0.0015172898 -0.0007632495 -0.0390935046 -0.0333189650 -0.0163499791 -0.0523265798 -0.0057734379 0.0465728072 -0.0307602325 0.0538521662 0.0336729432 0.1634135186 -0.1137627767 -0.4912015582 0.2635303817 -0.4590002173 0.0901827210 -0.0402729154 0.0123088451 0.0074744835 0.1740249595 -0.0394775665 -0.2443673755 0.1750403412 -0.2202028286 0.0984790292 -0.0021709053 -0.0000163141 -0.0061009540 0.0630130160 -0.0567746185 0.0621313949 0.0276520015 0.0660220779 0.0733566886 0.0038715097 -0.0135850349 -0.0063998601 0.1087862714 0.0456930691 -0.0040872528 -0.1329350378 -0.0232220938 0.0405471972 -0.0352936995 0.1821271052 0.0186845121 -0.0004879559 0.0016154479 -0.0088544656 -0.0134206551 0.0217272540 0.0046176152 0.0252366071 -0.0512930951 -0.0029248509 -0.0006859864 0.0046758363 -0.0020742677 -0.0011273501 -0.0066658616 -0.0022045313 0.0214356396 -0.0114529112 0.0602902425 -0.0343561823 0.0400436005 -0.0459877653 0.0614407643 0.0663800344 0.0225357394 -0.0012569079 0.0157779412 -0.0061829166 0.0027136753 -0.0869256151 0.1181729383 -0.0295273743 -0.1244075674 -0.0582042237 -0.0024679217 -0.0000881083 -0.0017587899 0.0228188309 -0.0137703281 0.0106561602 0.0145602189 0.0224688531 0.0115428989 -0.0005220937 0.0012807538 -0.0016389865 0.0003973611 -0.0006997641 0.0007481508 0.0001328172 -0.0043744216 0.0067530627 -0.0058396525 -0.0153001337 -0.0107271540 0.1702475995 -0.0147182237 0.1059425223 -0.0528068393 0.1887070149 -0.0347574362 -0.1490010469 0.0527956102 0.0690295048 0.0096030494 -0.0018925773 0.0354238014 -0.0191400776 0.1471436464 -0.2285863024 0.0426718507 -0.1872342934 -0.1911634195 -0.0043308172 -0.0004394104 0.0006920742 0.0398802306 -0.0103677041 -0.0085663407 -0.0203183639 0.0169224235 0.0085558956 -0.0016980837 0.0013479292 -0.0024182877 -0.0013437867 -0.0019809760 0.0001807814 0.0020414684 0.0171233499 0.0025161713 0.0185373125 -0.0011372450 -0.0132163629 0.0105869607 -0.0183333123 -0.0116544782 -0.0595779102 0.0379996008 0.1694537855 -0.0907099499 0.1589009220 -0.0311185810 0.0132090738 -0.0039814064 -0.0025535291 -0.0559262734 0.0130127029 0.0790798617 -0.0574050640 0.0704909009 -0.0325911116 0.0000794109 0.0004140625 -0.0005682083 -0.0125503415 0.0046914145 -0.0033204587 -0.0038640347 -0.0065401556 -0.0084289422 -0.0010406755 0.0053949758 0.0028366732 -0.0478080559 -0.0252937850 -0.0044474899 0.0461109139 0.0144705620 -0.0230316496 0.0132491362 -0.0722476240 -0.0005494011 0.0005456921 -0.0002916246 0.0020341227 -0.0007653179 0.0003901616 0.0004638000 0.0030568362 -0.0009207993 -0.0000485923 0.0004749899 0.0003371239 -0.0014228465 -0.0015884797 -0.0128512428 0.0025325777 0.0336007818 -0.0780099899 0.0080679786 0.0284027065 0.1020033164 -0.1494766856 0.0524939093 0.1695465822 0.0691671623 -0.0003934270 0.0595104091 -0.0139644899 -0.0057175471 -0.2995852907 0.4293827865 -0.0954033037 -0.4721643749 -0.2103784782 0.0040717219 0.0031740713 0.0034419018 -0.0458765182 0.0269101055 -0.0152144057 -0.0106942768 -0.0266767925 -0.0464155434 -0.0019420321 0.0040620656 -0.0011311728 0.0029272112 -0.0043046824 0.0022095543 -0.0077106778 0.0094172617 -0.0150665861 0.0000275481 0.0009773476 0.0004073520 -0.0109392735 0.0001493955 -0.0055512539 0.0036968616 -0.0137418353 0.0032687616 0.0116353631 -0.0022682097 -0.0033521681 -0.0004683916 0.0005567156 -0.0011497732 -0.0006513439 -0.0058803698 0.0091363196 -0.0018730986 0.0067467562 0.0064051672 0.0004784610 -0.0013321182 -0.0008871081 -0.0007188951 0.0074259374 0.0103752623 -0.0008656078 0.0089727398 -0.0024916314 -0.0004610799 0.0014085873 -0.0026703805 0.0001088959 -0.0023291454 0.0003092024 0.0015437855 -0.0038283304 0.0007572969 -0.0217284361 0.0024832454 0.0015707634 0.0068508354 0.0093280800 0.0073901640 -0.0225879935 -0.0278670695 -0.0390343860 0.0052906869 -0.0260417318 0.0052075227 -0.0011497369 -0.0169064748 -0.0116175177 -0.0235436415 0.0517542294 0.1166884966 -0.0622397780 0.0949823193 -0.0414499233 -0.0069204009 0.0063372343 -0.0677557320 0.2021499268 -0.3516045695 0.4258498892 0.1039102805 0.3760833335 0.4174069906 0.0055778127 0.0133414343 0.0223909238 -0.1985626523 -0.2509882214 -0.1947238491 -0.0520291358 0.1812553356 -0.2452750392 0.0121580278 -0.1606879726 0.1486132202 -0.0001283840 -0.0001081621 0.0018925679 0.0009195713 -0.0014091492 -0.0009140306 -0.0038000724 0.0056815392 -0.0003213085 0.0001298761 -0.0005853073 0.0003542800 0.0001077739 0.0008098672 0.0003121728 -0.0026118062 0.0007255968 -0.0082422379 0.0052203509 -0.0047279397 0.0050331891 -0.0078426851 -0.0077649835 -0.0025379386 -0.0000131251 -0.0016259892 0.0007647638 0.0000006341 0.0099583443 -0.0134759649 0.0044576687 0.0138484631 0.0065082406 0.0007345971 -0.0001141962 0.0010213791 -0.0076411373 0.0050860922 -0.0039574706 -0.0024953105 -0.0064474956 -0.0064832992 0.0002689190 -0.0002592412 -0.0004302218 -0.0002746091 0.0002923264 0.0000020387 0.0022264597 -0.0015152726 0.0034074315 0.0070921457 0.0082278451 0.0165453596 -0.0656181393 0.0767433027 -0.1489745655 0.0346487504 -0.0618755406 0.0471463834 0.0829783276 -0.0976642643 -0.1089550738 -0.0108010601 -0.0046624129 -0.0550807721 0.0141339573 -0.2341288016 0.3351300614 -0.0657649570 0.2921037500 0.3099403722 -0.0004632565 -0.0052150025 -0.0020527331 -0.0110833023 0.0446015373 0.0606793173 0.0532216235 0.0300713749 -0.0472298586 0.0019478409 -0.0012198329 0.0027893452 0.0033083879 -0.0000273534 0.0004385864 -0.0244162325 -0.0104711015 -0.0069762455 -0.0055220002 -0.0043972155 0.0137021907 0.0003259711 -0.0011677412 -0.0021804160 -0.0077748497 0.0023209795 0.0129882423 -0.0010284777 0.0135012833 -0.0017577659 0.0004404657 -0.0000579730 -0.0000146256 -0.0009311998 0.0003308778 0.0015243539 -0.0007459209 0.0019541379 -0.0006703087 -0.0001161341 0.0005606014 -0.0001301782 -0.0006099546 -0.0006226596 0.0020452766 0.0004621976 0.0005967042 -0.0005519112 -0.0001664813 0.0013634794 0.0000712510 -0.0138168674 -0.0045760501 0.0020011250 0.0129004285 0.0018134810 -0.0036969099 0.0034698365 -0.0196818312 0.0009795621 -0.0007507611 0.0006569772 -0.0035883652 -0.0022582306 0.0028225403 0.0006051285 0.0055137088 -0.0069883538 -0.0003536341 0.0003106170 -0.0019906714 0.0029032661 0.0057000170 -0.0235412338 -0.0188550251 0.0683230882 0.0846237948 0.3328306945 -0.2785829264 0.0850635213 -0.0375563901 0.2405854074 0.1476723419 0.0356732604 -0.0068140607 0.0282513341 -0.0184990800 0.0345042287 -0.1765649876 0.2159181727 -0.0743236009 -0.2118526668 -0.1090983903 -0.0183716988 -0.0005160681 -0.0242586896 0.1776360230 -0.1386300080 0.1226477580 0.0886382200 0.1745756522 0.1483602316 -0.0032524878 -0.0022005136 0.0049480426 0.0021517559 -0.0006237346 -0.0001311160 -0.0150017870 0.0113784240 -0.0236204007 0.0074075582 -0.0109734743 -0.0011670936 0.1376438557 -0.0046399116 0.0758366521 -0.0562182320 0.2014496537 -0.0788652497 -0.1991600568 0.0244651874 0.0411938343 0.0088161371 -0.0090975234 -0.0122840277 -0.0191373403 -0.0536303755 0.0385811573 -0.0217962579 0.0571213769 0.0699154955 -0.0101761533 0.0005581221 0.0034445827 0.0410241727 -0.0036384636 0.0014132491 0.0365350511 0.0055252140 -0.0282795768 0.0038704866 -0.0091957131 0.0097388109 0.0031190480 -0.0074788961 0.0007107068 0.0094979457 0.0456147129 0.0074605702 0.0150031651 0.0068999366 -0.0320324475 -0.0027981788 0.0003772081 0.0014438880 -0.0013668793 -0.0053488083 -0.0093280584 -0.0172134135 -0.0171684130 -0.0026073614 -0.0236389984 0.0217951189 0.0148376033 0.1528161410 -0.0498738529 -0.2459839670 0.1294433527 -0.2369808975 0.0820140865 0.0087661812 0.0195797081 0.0145764029 -0.0888827169 0.0779399476 -0.0362097230 -0.0197687256 -0.0861727706 -0.1284565816 0.0013020271 0.0367583334 0.0006121643 -0.4075420220 -0.1504932920 0.0425888302 0.3295275205 0.0667530064 -0.1259485714 0.0968943029 -0.5409670305 0.0617995973 -0.0000597457 0.0008563796 -0.0081328517 -0.0084203389 0.0135662421 0.0024297553 0.0213222844 -0.0333962916 -0.0032826249 0.0003130985 0.0013557216 -0.0004693307 -0.0049945250 -0.0014544156 0.0008871109 0.0115323886 -0.0316074730 0.0157026667 0.0105500552 0.0232934241 -0.0349256142 0.0342421664 0.0360924619 0.0131042303 -0.0020979951 -0.0129718966 0.0031317933 0.0032369810 0.0522783294 -0.0799662895 0.0202738837 0.0859430338 0.0399840461 0.0002196312 0.0003148246 -0.0008115160 0.0105454006 -0.0024026228 -0.0007637374 -0.0032593181 0.0003354687 0.0098565821 0.0008409909 -0.0011904734 0.0005827614 -0.0013403826 0.0010443913 -0.0010183161 0.0032608261 -0.0023388698 0.0058406845 -0.0165791853 0.0243623740 0.0035403776 -0.3120899324 0.0149530179 -0.1795006776 0.1265842673 -0.4532791147 0.1788091619 0.4499531628 -0.0602486572 -0.0979475804 -0.0204495428 0.0187395108 0.0290895070 0.0597527097 0.1361152958 -0.1000704573 0.0507344217 -0.1411388709 -0.1694862496 0.0194531267 0.0082454326 -0.0019946284 -0.0915657302 -0.0332078204 -0.0641632806 -0.0692923182 -0.0700282734 0.0744696094 -0.0032865580 0.0073402047 -0.0079875013 -0.0042790198 0.0057650943 -0.0011748695 0.0220668368 -0.0208151239 0.0034026682 -0.0088534224 0.0030033057 0.0055404656 -0.0044335228 0.0058138312 0.0049355747 0.0261429839 -0.0109908826 -0.0590127117 0.0196572384 -0.0595540014 0.0089243475 -0.0146288071 0.0106023864 0.0073401774 0.0846876917 -0.0263424933 -0.1331062915 0.0755378032 -0.1259940021 0.0465699583 0.0042034510 0.0087595839 0.0070707289 -0.0373598881 0.0354247304 -0.0170775308 -0.0091039784 -0.0389669231 -0.0570263179 0.0007923265 0.0151249178 -0.0005251683 -0.1704359242 -0.0608336305 0.0202392766 0.1362570285 0.0260538552 -0.0504075388 0.0400616607 -0.2242865250 0.0281555226 0.0003477930 -0.0006131271 0.0075275943 0.0079834017 -0.0131772724 -0.0028681995 -0.0195106038 0.0339947589 0.0027321146 -0.0008888304 -0.0008245835 -0.0007432878 0.0111510010 0.0049858690 -0.0013469997 -0.0301267691 0.0709674456 -0.0492500183 -0.0139001176 -0.0605376320 0.0871565021 -0.0897246682 -0.0954579422 -0.0343607569 0.0053002495 0.0252495581 -0.0058310056 -0.0097547255 -0.0987531054 0.1542707466 -0.0397385045 -0.1658069926 -0.0769031990 -0.0003498676 -0.0003119982 0.0018648652 -0.0218929022 0.0058253342 0.0003502350 0.0031229831 -0.0036983614 -0.0195423140 -0.0024185606 0.0025869725 -0.0015319651 0.0033663431 -0.0023368877 0.0024900747 -0.0071852288 0.0060319435 -0.0140783067 -0.0004063965 -0.0001826280 0.0006457852 0.0010172761 0.0059045055 -0.0086884377 0.0012222356 -0.0001601304 0.0051290534 0.0054510436 -0.0054518925 -0.0058303020 -0.0005773071 -0.0003101272 0.0003279570 0.0041887749 0.0031940776 -0.0018212718 0.0003986950 -0.0023825681 -0.0022401423 -0.0007354229 0.0015790195 0.0007861841 0.0010118231 -0.0049228570 -0.0078611503 0.0034045934 -0.0078890040 0.0003682055 0.0019197992 -0.0037029834 0.0003832246 0.0003071026 -0.0037323084 -0.0016814725 0.0147394440 0.0162209300 0.0040471489 -0.0049415995 0.0025313374 -0.0104118610 0.0002957638 0.0030483527 0.0049943365 -0.0024589245 -0.0104820364 -0.0188754986 -0.0135733648 -0.0193023144 0.0016379263 0.0129905256 0.0006514815 -0.0001325883 -0.0069315542 0.0067339058 0.0255463533 -0.0390299672 -0.0000844258 -0.0242115108 -0.0442381979 -0.0006615214 -0.0353909062 0.1552271865 -0.1762899775 0.1681838777 0.1229877853 0.2058919719 0.1515699333 -0.0415293962 0.0052179457 -0.0184861976 0.1188330820 0.3510139688 0.3544395524 0.4841493872 -0.2595069795 0.3115216590 0.0444556463 -0.1827146334 -0.3579383688 -0.0002173734 0.0002738629 -0.0010965826 -0.0030778604 0.0046760200 0.0011313039 0.0060071715 -0.0101808018 -0.0004584286 0.0000047236 0.0003310793 -0.0001174087 -0.0002938719 -0.0000194690 0.0000925669 0.0006501541 -0.0025260541 -0.0001581830 0.0016044092 0.0014754656 -0.0024485659 0.0012628539 0.0022615532 0.0008966563 -0.0001752226 -0.0006517885 0.0002410649 0.0002483563 0.0025536227 -0.0039686173 0.0017076156 0.0039387173 0.0019757359 0.0004015457 -0.0000490833 0.0005657138 -0.0031108862 0.0028210061 -0.0026939384 -0.0020300073 -0.0036995809 -0.0025788239 0.0001499464 0.0002799780 -0.0006795767 -0.0000807111 0.0000538038 0.0001710841 0.0008075679 -0.0025449029 0.0034540167 0.0193113105 0.0062949563 -0.0153727165 -0.0727136071 -0.1921053553 0.2617925629 -0.0428356251 -0.0043177166 -0.1941363262 -0.1922642709 0.1658408707 0.1811306978 0.0185190776 0.0004976878 -0.0206397227 -0.0632971505 -0.0997946999 0.0833348882 -0.0401939145 0.0961236112 0.0955100794 -0.0032429814 -0.0125610947 -0.0035141872 0.0083416411 0.0416313705 0.0694787031 0.0055736829 0.0622889415 -0.0277844675 -0.0088452254 0.0190530598 -0.0083572804 -0.0085437130 0.0102942461 -0.0010983748 0.0256980157 -0.0398207873 0.0034060881 -0.0146603426 0.0037679701 0.0122800231 -0.0017244735 0.0034082738 0.0028685688 0.0190239894 -0.0040250590 -0.0333746584 0.0157809619 -0.0311624606 0.0063527863 -0.0018952029 0.0003598347 0.0003658890 0.0085420528 -0.0014877461 -0.0108918066 0.0073881005 -0.0103292876 0.0043497074 -0.0004824643 0.0003785737 -0.0002681796 0.0022163028 -0.0017018556 0.0022769002 0.0016109752 0.0021190705 0.0007669588 -0.0008949703 0.0002862888 -0.0006451663 -0.0000932433 0.0073935225 0.0088473879 0.0127714909 -0.0058015810 0.0065965640 0.0014986402 -0.0072545020 -0.0067056707 0.0003025046 -0.0012312318 0.0092409024 0.0177222374 -0.0269784572 -0.0065816311 -0.0384376891 0.0619226754 0.0036624375 0.0001079807 -0.0015444762 0.0015162864 0.0279447992 0.0265323971 -0.0091281505 -0.0980288975 0.2716459189 -0.0756772119 -0.0938130950 -0.2678365817 0.3937113197 -0.2265473455 -0.4328408552 -0.1713700169 0.0232045494 0.0331919519 -0.0125409821 -0.0419163308 -0.0969444280 0.1780494036 -0.0898109001 -0.1666151697 -0.0864351660 -0.0081164233 -0.0015851922 -0.0007793312 0.0048076470 -0.0186021503 0.0218438509 0.0209075139 0.0276081241 -0.0045913641 -0.0012898346 -0.0017410931 0.0020584002 0.0015741791 -0.0009762878 0.0003935751 -0.0043696100 0.0160188250 -0.0226604827 0.0037836393 0.0093685905 -0.0145310276 -0.0909221099 -0.1343859932 0.1614735701 0.0018745697 -0.1055678811 -0.0706075200 -0.0108823006 0.1148274157 0.1165478495 0.0114916791 0.0143608036 0.0010976266 -0.1041691239 -0.0524055882 0.0228146307 -0.0243932234 0.0185502930 0.0064710336 0.0229980307 -0.0482354202 -0.0285802114 -0.0206729285 0.1790714168 0.2715860003 -0.1094124832 0.2687669971 -0.0198150360 -0.0615544701 0.1271986298 -0.0702414991 -0.0566907865 0.0596736725 -0.0063883486 0.1905458990 -0.2001796884 0.0327285834 -0.0613264445 0.0335767564 0.0357717464 -0.0065351420 0.0121560794 0.0143530087 0.0994521069 -0.0086213003 -0.1390392080 0.0566157764 -0.1295699940 0.0263678604 -0.0083485724 0.0023525389 0.0019532053 0.0358437191 -0.0074774770 -0.0493304573 0.0309733611 -0.0481365432 0.0193012395 0.0006762985 0.0014175050 0.0007253997 -0.0029301059 0.0037397813 -0.0002210859 -0.0005456168 -0.0036681312 -0.0064051832 -0.0018647062 0.0011359844 -0.0016902885 -0.0080913496 0.0129864682 0.0195237284 0.0323880971 -0.0110295536 0.0113567731 0.0046085078 -0.0246687333 -0.0102999655 0.0036387091 -0.0099819252 0.0704063743 0.1088957323 -0.1711238493 -0.0397388785 -0.2400754512 0.3941987932 0.0245050397 0.0024542970 -0.0151032319 0.0084384295 -0.0151987310 -0.0178087542 0.0044255889 0.0609594449 -0.1633262954 0.0453071509 0.0546340278 0.1673161362 -0.2448622285 0.1332855821 0.2805549861 0.1110859526 -0.0153455183 -0.0094975749 0.0076495741 0.0344389535 0.0189115242 -0.0494578513 0.0431712902 0.0298115318 0.0222707036 0.0114044935 0.0046801400 0.0003255529 -0.0758358940 0.0344711807 -0.0109286664 -0.0276921673 -0.0527392403 -0.0484786804 0.0035815829 -0.0136520655 0.0146516900 -0.0052391581 0.0048796564 -0.0075240482 0.0168321542 0.0387473879 -0.0285216494 -0.0235760020 -0.0307573406 0.0287261975 0.3980670155 0.3770310681 -0.3812373880 -0.0183831809 0.3810106077 0.2276197118 0.0082351497 -0.2829163408 -0.2880286123 -0.0204934035 -0.0081386879 0.0119365709 0.0047891931 0.0223337550 -0.0210821607 0.0598803735 -0.0114735365 0.0115022608 0.0165666378 -0.0149639796 -0.0126701087 -0.0076942172 0.0572519593 0.0830752697 -0.0530108916 0.0903330446 0.0078848990 -0.0190856869 0.0393926554 -0.0238958784 -0.0153092023 0.0163833965 -0.0014484120 0.0504819717 -0.0534300286 0.0087865523 -0.0148338317 0.0097842615 0.0083174383 -0.0013207048 0.0018890236 0.0029021585 0.0230492088 0.0001804504 -0.0265505269 0.0107944264 -0.0240613291 0.0053224736 -0.0017982280 0.0006745121 0.0004688288 0.0079988251 -0.0016178728 -0.0110560931 0.0068271242 -0.0109470528 0.0042806495 0.0004596088 0.0002606589 0.0002672034 -0.0019358189 0.0017486477 -0.0007960180 -0.0011128964 -0.0018598751 -0.0017766405 -0.0002610627 0.0001921884 -0.0002364698 -0.0018351158 0.0010037079 0.0019862282 0.0043114180 -0.0009633810 0.0007530813 0.0006567720 -0.0039367124 -0.0004340365 0.0011917691 -0.0031402005 0.0222545868 0.0304317070 -0.0499805436 -0.0113216745 -0.0683040810 0.1145145279 0.0070415273 0.0002084872 -0.0049639788 0.0037107596 0.0126652946 0.0131503630 0.0006309051 -0.0528821942 0.1038358561 -0.0816624199 -0.0085341650 -0.1153826963 0.1627863468 -0.1380012839 -0.2031713278 -0.0755256824 0.0092094116 0.0081487682 -0.0025476568 -0.0152781174 -0.0105118368 0.0317375227 -0.0284947511 -0.0250799416 -0.0142110197 -0.0011053011 -0.0003050918 -0.0003315700 -0.0134112563 -0.0010307822 0.0051372075 -0.0002747471 -0.0002198139 -0.0036922625 -0.0030980461 0.0020518792 0.0011226066 0.0020962365 -0.0022688713 0.0018028358 -0.0075744327 0.0141788869 -0.0247079633 -0.0009513523 0.0050187597 0.0062936146 -0.0015642950 0.0190873272 -0.0427971469 -0.0028465174 -0.0025463849 -0.0074278556 -0.0035243822 -0.0299294809 -0.0357965633 -0.0057605479 -0.0014471016 -0.0005608779 0.0063926637 0.0304393067 -0.0434244233 0.1069238656 -0.0149890390 -0.0095685186 0.0033411809 0.0005626337 0.0315431670 -0.0182488199 -0.1378046983 -0.1282472480 0.0250831090 -0.1045773681 0.0661874920 -0.1270453808 0.1992248397 0.6317651967 -0.0201797945 0.0089458879 0.0201724739 0.0230748973 0.0408295416 0.0533347128 -0.0789781834 0.0787650359 -0.1354478599 -0.0035234521 0.0115683141 -0.0055552293 -0.0392546666 -0.0263195567 -0.0200456861 0.0392517464 -0.0147557942 0.0094562019 0.0044289771 -0.0030112504 0.0000450419 -0.0177922745 0.0213665095 0.0498224993 -0.0646375026 0.0430930000 -0.0203560483 0.0007983776 -0.0007451113 -0.0041760404 -0.0089945090 -0.0031005743 0.0058594339 -0.0031642584 0.0036169751 0.0025709033 -0.0002732151 -0.0003807530 0.0010725681 0.0031707986 0.0014387204 0.0024323584 0.0054747802 0.0010371129 -0.0000341485 0.0009552714 -0.0007051811 -0.0087632730 0.0262282956 -0.0282880831 -0.3306086744 0.1180704433 -0.1539251367 -0.1380280123 -0.0559342798 -0.0345053783 -0.1479169601 0.0079265027 -0.0081607998 -0.0510991818 0.0042576772 -0.0017396741 0.0021901393 -0.0154193429 0.0040188797 -0.0496342387 0.0207632409 0.0079717995 -0.0127890224 -0.0707624108 0.0196146249 0.0136367156 0.0034321595 -0.0029545273 -0.0045109013 -0.0446400806 -0.0092788001 0.0357792498 -0.0078910561 -0.0209857465 -0.0081411540 -0.0118316602 0.0285904601 -0.0122190639 0.1359282160 -0.0392976941 -0.0219124277 0.0375925288 0.0409913462 -0.0972711462 0.1019800912 -0.1613611222 0.1693655747 -0.0867735884 0.0881140349 -0.0915046375 0.0694363758 0.1597313624 -0.2430745261 0.0018213603 -0.0011901852 -0.0063547966 -0.0079279921 -0.0208107117 0.0540984143 0.0034740305 -0.0006873911 -0.0055431697 -0.0140502592 0.0231004295 0.0292573081 -0.0024000241 -0.0001822696 -0.0021791445 0.0193656380 0.0054884684 -0.0006202728 0.0216245619 -0.0006625233 -0.0009078068 -0.0026481253 0.0017472119 0.0129747949 0.0028175138 -0.0364729730 -0.0312078900 0.0167550396 -0.0198493684 0.0107598229 -0.0684963540 0.1128745455 0.2210178935 -0.0028993232 0.0066360532 0.0102837504 0.0094741955 0.0099911348 0.0227312859 -0.0380778646 0.0355636600 -0.0660289168 -0.0023382996 0.0044764601 -0.0022990328 -0.0182247014 -0.0160763498 -0.0065456324 0.0149795591 -0.0060936742 0.0025209374 -0.0001043570 -0.0007884490 0.0000742837 0.0072312249 0.0130106026 0.0160793565 -0.0173128084 0.0111738552 -0.0038871131 0.0010437055 0.0001360145 -0.0019920374 -0.0063710404 0.0003102166 0.0044641014 -0.0057752919 -0.0003394676 0.0028882603 -0.0008497237 -0.0002330136 0.0001983869 0.0021721051 0.0017269809 0.0005694974 0.0048358812 0.0001688538 -0.0006102840 0.0008840514 -0.0010320706 -0.0018304476 0.0112361069 -0.0161064716 -0.1140817390 0.0436645875 -0.0941513521 -0.0572785190 -0.0559506044 0.0351764559 -0.0623674948 0.0121181876 -0.0170196118 -0.0136205477 -0.0056441273 0.0037367334 -0.0025487138 0.0281150546 -0.0319113040 0.0584021647 -0.0083160935 -0.0032770101 0.0058880399 0.0988874456 -0.0207024010 -0.0170509857 -0.0133933473 -0.0035021444 -0.0071663510 0.0092351400 -0.0004602725 -0.0422987065 0.0890652512 0.0471952539 0.0127259669 0.0231479697 -0.0355465637 0.0343383740 0.0855046048 0.0114068751 -0.0993840496 -0.0600104499 -0.0130471218 0.2858205097 -0.3465940401 0.3551545391 -0.3834484536 0.2519354425 -0.2294565242 0.2290199718 -0.0781744474 -0.0129921727 0.4194678130 0.0000157012 -0.0005337329 -0.0012398375 -0.0054064618 0.0113378496 0.0089786467 0.0055637905 0.0008717038 -0.0017878852 -0.0001205639 -0.0074484797 0.0075385608 -0.0001274941 0.0002727834 0.0001526999 0.0017678936 -0.0027941948 -0.0017579318 -0.0001758132 -0.0004133401 -0.0001413663 -0.0000590746 0.0001080095 0.0000720965 0.0001143842 -0.0006752489 0.0003355300 -0.0001956853 -0.0001707140 -0.0006941386 -0.0006140310 0.0004447904 0.0005925528 0.0005088008 0.0009112222 -0.0003346200 -0.0033943331 -0.0013625050 0.0086169961 0.0003797243 -0.0139293492 -0.0041022456 0.0002769094 -0.0003349041 -0.0000237391 -0.0012368214 0.0026633181 -0.0013423348 -0.0002263081 0.0000412636 0.0014399232 -0.0000063938 -0.0000574147 -0.0000286342 -0.0004986503 0.0007424029 -0.0004824045 -0.0003999014 0.0000160228 0.0008971764 -0.0000378397 -0.0000620661 -0.0000974461 0.0000792057 0.0009397582 0.0005881063 0.0002574493 -0.0004907857 0.0003473056 -0.0000350363 -0.0000334965 -0.0000072576 -0.0000569061 0.0001461768 -0.0000867515 0.0000826807 0.0002129611 0.0001501578 0.0003753013 0.0000427805 0.0000433242 0.0002611886 0.0000034968 -0.0004346526 0.0001528837 -0.0004485277 -0.0011539101 0.0010159633 -0.0000428863 0.0051504617 0.0001886176 -0.0002406937 0.0000400288 -0.0007889571 -0.0000339747 0.0002290554 0.0076095962 0.0027559140 -0.0011223535 -0.0004225618 -0.0025011320 -0.0018249147 0.0024420298 -0.0000895823 -0.0002856123 0.0001468499 -0.0016734883 0.0002296137 0.0029686245 0.0145572098 0.0118137808 -0.0033967351 0.0036556948 -0.0115374616 0.0037696423 -0.0040346337 -0.0006142436 0.0026674597 0.0071226225 0.0076148205 -0.0492719517 0.0454051258 -0.0094751520 -0.0541538991 0.0494193147 0.0418353907 -0.0008448395 0.0007039336 -0.0015301568 0.6524240566 -0.5912323040 -0.4599765476 -0.0001922337 -0.0000666026 -0.0001191060 -0.0003884879 0.0017615630 0.0010241780 0.0025961844 0.0005880638 -0.0008898529 0.0000032175 -0.0015610975 0.0013350888 -0.0001018351 0.0001381519 0.0001849571 0.0006721363 -0.0020430114 -0.0013092161 0.0001810315 0.0008347675 -0.0007359968 0.0002886910 0.0002660390 -0.0001942594 -0.0004398272 -0.0043427339 0.0036416154 -0.0021472721 -0.0005187710 -0.0028302268 0.0012400850 -0.0008369351 -0.0016399958 0.0210308993 0.0695216689 0.0171991121 -0.0514862696 -0.0078221048 0.2130172347 -0.1929850405 -0.8312496725 -0.4160465418 0.0085671768 -0.0111072532 -0.0001895313 -0.0823056461 0.1498343366 -0.0791057832 -0.0207211896 -0.0065769451 0.0885408373 -0.0000171275 0.0001062437 -0.0004578509 0.0025563317 -0.0078971220 0.0038726113 -0.0009005659 -0.0002529811 0.0004902889 0.0000720246 0.0002933485 0.0001820284 -0.0005436122 -0.0026226757 -0.0021164416 -0.0010600495 0.0006005777 -0.0007984428 0.0001260927 0.0002032868 -0.0000068357 0.0006263683 -0.0011513824 0.0009162634 -0.0003020858 -0.0010094967 -0.0002753220 -0.0015805354 -0.0001128560 -0.0001069197 -0.0001408250 -0.0000798426 0.0006993439 -0.0010524827 0.0011458193 -0.0005900679 -0.0030613328 -0.0013949126 0.0088446745 -0.0002615867 0.0004019311 0.0000297093 0.0000484324 -0.0000538734 -0.0000246642 -0.0006764087 -0.0005124907 0.0002826899 0.0004021937 0.0009571901 0.0006767528 0.0001023294 0.0002747570 -0.0007271946 -0.0000813451 -0.0002464775 -0.0000807091 0.0004461079 0.0017824629 0.0013232883 0.0000281055 0.0001732034 0.0000143086 0.0010750551 0.0002575898 0.0009610401 -0.0019485708 -0.0128240484 -0.0071597807 -0.0108014060 0.0099403232 -0.0029377717 0.0016187058 -0.0006059088 -0.0003316999 -0.0001916665 0.0000551277 -0.0002090875 -0.0152634686 0.0064757063 0.0054859616 -0.0003713034 -0.0000224127 -0.0004774440 -0.0016456755 0.0045464307 0.0027352786 0.0058798463 0.0011435964 -0.0019741548 0.0000511909 -0.0055807323 0.0048459004 -0.0001832389 0.0002709653 0.0003598244 0.0018173707 -0.0043521975 -0.0028155293 0.0001588600 0.0014736421 -0.0013360079 0.0004079303 0.0006690157 -0.0002869187 -0.0005598073 -0.0083991460 0.0066583430 -0.0031114618 -0.0009192006 -0.0044394760 0.0005030057 -0.0006188410 -0.0007447293 0.0056079499 0.0152655586 0.0034395506 -0.0128377393 -0.0031817384 0.0445128978 -0.0452436185 -0.1746650623 -0.0867158923 -0.0422637365 0.0572095941 0.0018506915 0.4087179468 -0.7005984558 0.3671014683 0.0973992201 0.0236584021 -0.3805494474 -0.0001894973 -0.0025504893 0.0000121877 -0.0111842839 0.0225423476 -0.0128485879 0.0012160494 0.0009620796 0.0022013846 0.0017785421 -0.0015011547 0.0035422889 -0.0016466044 -0.0212337147 -0.0117561142 -0.0156509832 0.0404040661 -0.0250840231 0.0001521423 -0.0008423244 -0.0006822426 0.0003621651 -0.0018777124 0.0009955853 0.0013508988 0.0127005773 0.0064862593 -0.0028426510 -0.0011219909 -0.0010627274 -0.0001331465 0.0000129013 0.0003792189 -0.0005012285 0.0000110191 -0.0003317773 -0.0008710325 -0.0001861542 0.0071969282 -0.0001884863 0.0003144956 0.0000019082 -0.0001851573 0.0000319291 0.0000331964 0.0020058704 0.0007169753 -0.0005208849 -0.0001382534 -0.0007886536 -0.0006874949 0.0002500263 -0.0003130865 0.0007708100 -0.0001869714 -0.0009399004 0.0001307571 0.0024307014 0.0078869513 0.0063504900 -0.0003757293 0.0028729968 -0.0075813673 0.0005393565 0.0005862190 0.0007068645 -0.0021715445 -0.0113072896 -0.0068247529 -0.0042004402 0.0042941123 -0.0014324998 0.0005611496 0.0000546347 0.0002349718 -0.0002540402 0.0001204503 -0.0001865292 -0.0012499633 -0.0009698590 -0.0000359029 -0.0278504326 0.0082790533 -0.0308374136 -0.1005470565 0.2476071552 0.1398183349 0.4259608545 0.0810187887 -0.1465977747 0.0004471486 -0.4325706127 0.3696353841 0.0167805246 -0.0270836241 -0.0304926412 -0.1944797925 0.4509635400 0.2837325996 0.0031929878 -0.1171696141 0.0840049146 0.0048813866 0.0095100800 -0.0002674492 -0.0041789709 -0.1071244203 0.0819458416 -0.0546249336 -0.0176967367 -0.0864126496 0.0001306821 -0.0001655057 0.0001496720 -0.0000778066 -0.0003025006 -0.0000552668 0.0002071995 -0.0000048142 -0.0007634872 0.0007448152 0.0034647158 0.0016494975 0.0002595755 -0.0003706559 0.0000472855 -0.0027927744 0.0045887450 -0.0024194187 -0.0004329446 -0.0001326453 0.0017571467 -0.0000530667 0.0000614090 0.0000589899 0.0003437946 -0.0005450744 0.0003696585 0.0004242480 -0.0000425803 -0.0009761666 -0.0001495021 0.0000204558 -0.0002872971 0.0005053401 0.0024488341 0.0015237449 0.0012665133 -0.0027182445 0.0017814400 -0.0000552656 -0.0000329911 0.0000998111 -0.0005395055 0.0010616811 -0.0007634484 -0.0000816974 -0.0008792227 -0.0005232598 0.0012034903 0.0002110568 0.0001583470 -0.0000483427 -0.0000383848 -0.0000524876 -0.0000735205 -0.0000325591 -0.0000032110 0.0001548098 0.0001978902 -0.0003937680 -0.0002293284 0.0005544998 0.0004215553 0.0007370583 -0.0005107265 0.0000990182 -0.0095458883 -0.0039145156 0.0026639969 0.0019469397 0.0060218735 0.0043066595 -0.0008497120 0.0037128755 -0.0081513129 -0.0000951725 -0.0001929584 0.0001781073 0.0005619551 0.0013142298 0.0011854928 0.0001935055 0.0010001811 -0.0030641840 -0.0001836448 0.0001960077 -0.0000678240 -0.0001750581 -0.0001861787 -0.0001300496 0.0021979767 -0.0019918204 0.0005639199 0.0009201179 -0.0007356607 -0.0000453879 -0.0001243574 0.0001423665 -0.0002291830 -0.0072238955 0.0061780050 0.0042388344 0.0001378687 -0.0003742673 0.0007171179 0.0013195566 -0.0035675221 -0.0021103900 -0.0026744842 -0.0003854672 0.0007997898 -0.0002965425 0.0083750344 -0.0072710149 0.0001476293 -0.0002557202 -0.0002909877 -0.0017942793 0.0039383233 0.0025769967 -0.0000672909 -0.0011666370 0.0011076157 -0.0003519683 -0.0008952221 0.0002248161 0.0004052553 0.0098973735 -0.0075755874 0.0034087884 0.0010887219 0.0052841261 -0.0000236879 0.0001444096 -0.0000478429 -0.0001771885 -0.0002264934 0.0004254445 0.0017456927 0.0005039760 -0.0056743199 0.0004272892 0.0018096695 0.0007661797 0.0004268706 -0.0005006709 -0.0001580769 -0.0037890541 0.0062011547 -0.0033550304 -0.0014756777 -0.0003096220 0.0053979795 -0.0000922966 0.0000836779 0.0001749053 0.0003792933 -0.0006107175 0.0004610176 0.0009546110 -0.0001087625 -0.0024236862 -0.0007927303 0.0002349659 -0.0014065271 0.0024947531 0.0113805206 0.0070851736 0.0068631774 -0.0142953572 0.0093671926 0.0000974817 0.0000035268 0.0000570651 -0.0000858629 0.0003099948 -0.0002079675 0.0000822397 -0.0001068130 -0.0000603974 -0.0012500513 -0.0002299103 -0.0002444711 -0.0000377003 -0.0000328937 0.0000028758 -0.0000497689 -0.0000666741 0.0000829289 -0.0000927110 0.0001283745 -0.0007571510 0.0000401878 -0.0000790679 -0.0000034547 0.0160904152 -0.0010465718 -0.0048788353 -0.2213950833 -0.0928583570 0.0650081320 0.0285036453 0.0800118670 0.0616655044 0.0007430509 0.0277266758 -0.0707920840 -0.0136219326 -0.0637723561 0.0138364548 0.1778437477 0.5337933146 0.4341019946 -0.0154982523 0.2207250416 -0.5950592953 -0.0038012784 0.0061738698 -0.0009889489 -0.0045304098 -0.0145781472 -0.0109535415 0.0533168429 -0.0589877131 0.0245117615 0.0002898233 -0.0000300857 -0.0013120434 0.0002048751 -0.0001608049 0.0002700132 -0.0083404129 0.0063358876 0.0074493105 -0.0165007480 0.0037838201 -0.0282199542 -0.0921338040 0.2325247211 0.1325520502 0.2770923965 0.0525804235 -0.0922604146 0.0017185383 -0.3329519007 0.2832256019 -0.0168604490 0.0291394429 0.0369476150 0.2099606428 -0.4934230997 -0.3103765155 -0.0045857250 0.1482820459 -0.1134287853 -0.0113102349 -0.0288155635 0.0038743114 0.0079195612 0.3133835439 -0.2401096228 0.1253573446 0.0391684356 0.2036209762 -0.0004559895 0.0007942140 -0.0003689769 -0.0000148594 -0.0001268584 -0.0000155862 0.0001298421 0.0000619042 -0.0005041808 0.0002690357 0.0013081045 0.0006212534 0.0000885278 -0.0000852486 -0.0000884084 -0.0007371591 0.0011069141 -0.0006720980 -0.0004614402 -0.0000814813 0.0018049452 -0.0001540338 0.0000858832 0.0003385029 0.0003306843 -0.0006702309 0.0004864491 0.0017437820 -0.0001466496 -0.0045040014 -0.0015076360 0.0004908077 -0.0026208385 0.0047488639 0.0210886872 0.0131111148 0.0131033746 -0.0270603480 0.0177271380 0.0004002624 0.0000656961 -0.0001225939 0.0011079829 -0.0018629771 0.0013588004 0.0004288569 0.0022745959 0.0013537565 -0.0063632126 -0.0011445965 -0.0010332409 0.0000147277 0.0001091776 0.0001305948 -0.0000488217 -0.0002202633 0.0000530576 0.0001414694 0.0003654010 -0.0010795457 0.0006837614 -0.0011114613 -0.0006416627 0.0013338183 -0.0006255818 -0.0001269801 -0.0175440671 -0.0068408510 0.0049916764 0.0026741595 0.0092648256 0.0073151460 -0.0009321935 0.0042623812 -0.0106968239 -0.0000279173 0.0003270236 -0.0002101270 -0.0004946435 -0.0019613419 -0.0015051985 0.0002987157 -0.0015764106 0.0039400632 -0.0001470714 0.0003006685 0.0000035830 -0.0004732009 -0.0019505620 -0.0011491851 0.0020335301 -0.0016118387 0.0004477838 0.0011099173 -0.0008385029 0.0000345540 -0.0002104976 0.0002461567 -0.0002912317 -0.0080437003 0.0067024945 0.0046411227 -0.0007452625 0.0002265943 -0.0012008424 -0.0038600570 0.0096331878 0.0054428307 0.0123318368 0.0023576843 -0.0041731033 0.0000078471 -0.0147518952 0.0125012292 -0.0004721439 0.0009272262 0.0010813792 0.0062107525 -0.0148392034 -0.0092885222 -0.0002029793 0.0038655701 -0.0028616258 -0.0008332145 -0.0020686344 0.0004046663 0.0007359113 0.0227256150 -0.0174412130 0.0085268197 0.0026679934 0.0135345813 -0.0001412053 0.0001593631 -0.0000095332 -0.0004202387 -0.0007704891 -0.0001205065 0.0007138386 0.0000067717 -0.0033693178 0.0034050797 0.0107051999 0.0055306924 0.0020879360 -0.0028938936 -0.0007489838 -0.0186249730 0.0351346131 -0.0163875360 -0.0055449315 -0.0012088028 0.0208895009 0.0018126411 0.0006097451 -0.0074317503 0.0076773775 -0.0136190150 0.0055632268 -0.0325463911 0.0026966678 0.0847110922 0.0335386342 -0.0095179313 0.0579404317 -0.1078640911 -0.4768910593 -0.2957617917 -0.2884544044 0.5937861888 -0.3882678739 -0.0127211881 -0.0018869246 0.0062874035 -0.0424256067 0.0756707256 -0.0551507847 -0.0148217838 -0.0919408592 -0.0555185578 0.2085596804 0.0378099627 0.0321032848 0.0000619730 -0.0000121235 -0.0000094051 0.0000649843 -0.0000117543 0.0000201135 0.0000016449 -0.0000210885 -0.0005795923 0.0000893227 -0.0001317051 -0.0000400241 0.0008942853 -0.0002770819 -0.0002377615 -0.0122463165 -0.0049708305 0.0035320991 0.0019758916 0.0060608359 0.0047893948 -0.0002234734 0.0021441194 -0.0055013689 -0.0002674765 -0.0011652361 0.0002823183 0.0033450239 0.0097907502 0.0080054113 -0.0002283487 0.0042057371 -0.0113942323 -0.0002645779 -0.0001081964 -0.0002848650 0.0008091708 0.0038338987 0.0023222289 0.0023914677 -0.0025671270 0.0010304917 -0.0001360314 0.0000293399 -0.0000238178 0.0000599864 -0.0000282863 0.0000299622 0.0003188805 -0.0001399958 -0.0002369074 -0.0002201902 0.0001556252 -0.0006933556 -0.0016771001 0.0049102059 0.0026529079 0.0038503462 0.0007537811 -0.0010604953 0.0003352589 -0.0074954785 0.0064921452 -0.0007331942 0.0007412756 0.0016872212 0.0084892351 -0.0190513045 -0.0120147725 -0.0000010673 0.0105222423 -0.0082627900 0.0010827009 0.0030801033 -0.0009050207 -0.0013256743 -0.0336837498 0.0257870353 -0.0102621773 -0.0031545816 -0.0158697849 0.0001481956 -0.0001227032 0.0000467134 -0.0001376229 0.0004000440 0.0013750210 0.0040170170 0.0016045837 -0.0149897190 -0.0020266296 -0.0068292356 -0.0032788867 -0.0002149515 0.0040885455 -0.0089379054 0.0266499790 -0.0460007098 0.0224144186 -0.0231836749 -0.0027163387 0.0860131464 -0.0008800368 0.0002540663 0.0038459194 -0.0029236843 0.0015904551 -0.0003921150 0.0158199744 -0.0012388878 -0.0442080784 -0.0071334864 0.0051043977 -0.0147349179 0.0189569089 0.0891921500 0.0574692202 0.0735029712 -0.1520878351 0.1025708132 -0.0246073778 -0.0111958091 0.0403069404 -0.2218371617 0.4208912661 -0.3049656948 -0.0495420347 -0.3873264981 -0.2349348886 0.5541191044 0.0992131229 0.0734075163 -0.0000714642 -0.0000153290 -0.0000339958 -0.0001077427 0.0000024983 -0.0000245247 0.0001412248 -0.0002636443 0.0011444138 -0.0000971061 0.0001091170 0.0000415994 -0.0125827226 0.0070833262 0.0038900814 0.1792085880 0.0711349650 -0.0511167978 -0.0371108326 -0.1155187373 -0.0919711112 0.0037383309 -0.0368889003 0.0961892150 -0.0010706577 -0.0056420593 -0.0010851901 0.0166753087 0.0525600105 0.0414487691 -0.0011306654 0.0100069886 -0.0269523525 0.0008359367 0.0019302203 0.0013279308 -0.0059387806 -0.0247396685 -0.0152481657 -0.0032559219 0.0024943720 -0.0006733641 0.0003668754 -0.0001973607 -0.0001600054 -0.0000672123 0.0000421463 -0.0000491950 -0.0027119138 0.0023074253 0.0021593679 0.0010299590 0.0007242490 0.0027782883 0.0114097969 -0.0260944379 -0.0155667348 -0.0204458389 -0.0033134593 0.0055695003 -0.0014196756 0.0237057972 -0.0214689757 0.0054826914 -0.0055535851 -0.0122000366 -0.0628809034 0.1387371355 0.0880553263 0.0016038425 -0.0709341246 0.0571252312 -0.0091432851 -0.0256286938 0.0070901009 0.0104404550 0.2783704266 -0.2130477131 0.0883032285 0.0272108996 0.1365422753 -0.0006329742 0.0012296975 -0.0006707290 0.0000162273 0.0000904864 0.0000308940 0.0000192942 0.0000412296 0.0003219713 0.0000311716 -0.0009850017 -0.0005474539 0.0001158932 -0.0010040025 0.0019693886 -0.0064714561 0.0112749827 -0.0055349353 0.0048964935 0.0005639059 -0.0183308582 0.0001793291 -0.0000038918 -0.0009564296 0.0010313466 -0.0010477694 0.0004704760 -0.0037888091 0.0002971050 0.0105968089 0.0018384991 -0.0012049129 0.0037672235 -0.0050610201 -0.0236662656 -0.0152091704 -0.0186229079 0.0385335018 -0.0259515369 0.0058851212 0.0027384480 -0.0097734319 0.0538273057 -0.1021572740 0.0739943460 0.0119507789 0.0935611124 0.0567163751 -0.1333716693 -0.0238704449 -0.0176737022 -0.0000224800 -0.0000309413 0.0002306883 0.0000118926 -0.0003616955 0.0001199429 -0.0000330501 0.0005448327 -0.0015327597 0.0007426957 -0.0009156435 -0.0003522770 -0.0385485286 0.0216938209 0.0118007194 0.5487055283 0.2176461422 -0.1565428874 -0.1132627439 -0.3529305652 -0.2811124188 0.0115782647 -0.1132409680 0.2953459218 -0.0033123459 -0.0176671452 -0.0029031061 0.0518030682 0.1629150610 0.1286005957 -0.0036185155 0.0331738601 -0.0892217202 0.0022869807 0.0052008592 0.0035189206 -0.0159854735 -0.0654774527 -0.0406093337 -0.0088344970 0.0060639796 -0.0015605608 0.0006364808 -0.0003144920 -0.0005643804 -0.0000535719 -0.0000032574 -0.0000128544 -0.0057176004 0.0050136733 0.0049906395 -0.0034095450 0.0003043947 -0.0087796975 -0.0282333823 0.0708888365 0.0401950026 0.0616479634 0.0110789448 -0.0176717790 0.0038294401 -0.0894348938 0.0783697272 -0.0114461213 0.0114103507 0.0261651942 0.1325672373 -0.2942446574 -0.1862196879 -0.0025386198 0.1576684762 -0.1256500341 0.0179628100 0.0508195393 -0.0140985325 -0.0207857605 -0.5513150541 0.4218342965 -0.1736373298 -0.0533472233 -0.2684428639 0.0012254101 -0.0018956982 0.0009286251 -0.0001433892 -0.0008904420 -0.0004287477 -0.0004023179 -0.0003672090 0.0016297739 0.0022009658 0.0104959449 0.0048353286 0.0007086806 -0.0016882035 0.0017501428 -0.0122363018 0.0202884912 -0.0103497074 0.0031575241 0.0001025110 -0.0113646540 0.0001024802 0.0001324994 -0.0008650305 0.0018058632 -0.0021684548 0.0012908634 -0.0031567714 0.0002491155 0.0091621295 0.0019243284 -0.0015311929 0.0036283130 -0.0047775385 -0.0214449984 -0.0136047857 -0.0195942869 0.0400925251 -0.0268528235 0.0040953274 0.0019892957 -0.0073434784 0.0401477655 -0.0761448093 0.0551996454 0.0089378877 0.0697044509 0.0422951400 -0.0961337321 -0.0171985198 -0.0126319809 -0.0000296719 -0.0001254989 -0.0003970684 -0.0001565721 0.0004939872 -0.0000242008 0.0000460731 -0.0002828297 0.0006115229 -0.0013432613 0.0015234680 0.0007665902 -0.0177740231 0.0107162203 0.0056513051 0.2555463194 0.1014881909 -0.0727956439 -0.0551394054 -0.1708399821 -0.1359585985 0.0052283617 -0.0538875360 0.1405949072 -0.0018173882 -0.0095120940 -0.0010832612 0.0279858574 0.0868399300 0.0687768456 -0.0018877858 0.0198907123 -0.0535950027 -0.0002762078 0.0020399477 0.0002725199 -0.0036325061 -0.0137092304 -0.0082774597 0.0081231911 -0.0096152960 0.0043648206 0.0004372696 -0.0005196847 -0.0003791249 0.0000483566 0.0000378664 -0.0000146721 -0.0060416281 0.0057621891 0.0043975446 -0.0001867574 0.0001822178 0.0002297315 0.0011065203 -0.0022904436 -0.0018188358 0.0011142258 0.0003176283 -0.0005063336 -0.0001249817 0.0005561546 -0.0007978826 0.0002729621 -0.0005425808 -0.0003939645 -0.0031799136 0.0066716295 0.0042115214 0.0009435202 -0.0008008916 0.0009016236 -0.0008311129 -0.0013298738 -0.0003175039 0.0002723865 0.0123033518 -0.0096235729 0.0091292694 0.0024292503 0.0141326187 -0.0012104519 0.0001413447 0.0026292268 -0.0002505736 0.0019654409 0.0032397255 0.0077631096 0.0028013850 -0.0264709619 -0.0055893924 -0.0258978811 -0.0127355191 -0.0003690167 0.0006700177 -0.0003164681 0.0055447326 -0.0087850449 0.0044807915 -0.0006340800 0.0000973119 0.0008478646 0.0003884364 -0.0004080513 -0.0002704892 -0.0024929644 0.0045722101 -0.0029200575 -0.0027646666 0.0000760523 0.0058876899 -0.0002194984 0.0001174203 -0.0003676725 0.0005805378 0.0024061272 0.0015112742 0.0020107645 -0.0039297896 0.0026292052 -0.0000672594 -0.0001050142 0.0003144537 -0.0017332476 0.0032843993 -0.0023918143 -0.0003127907 -0.0024902575 -0.0015327278 0.0028528885 0.0005025380 0.0003224842 0.0004806606 0.0002122612 -0.0009018769 -0.0000189592 -0.0006737478 -0.0005107311 0.0005783748 -0.0000099788 -0.0023912085 0.0001234980 0.0000541156 -0.0002068013 -0.0052350502 0.0017349657 -0.0006834857 0.0713175343 0.0295116746 -0.0208739413 -0.0106825809 -0.0263588839 -0.0215644476 0.0020632655 -0.0210786103 0.0535049762 0.0050944826 0.0053423157 0.0246889192 -0.0414098976 -0.1363484713 -0.1054771529 -0.0070188851 0.0743345567 -0.1894719381 -0.0414773210 -0.0283424887 -0.0480037525 0.1580010998 0.6808405877 0.4178583254 0.3294504417 -0.3418279146 0.1378090151 -0.0013521768 0.0015981338 0.0014838021 0.0002669093 -0.0003254220 0.0001500739 0.0107020243 -0.0159816081 -0.0126717509 0.0000430124 0.0000189056 0.0000088029 0.0001131319 -0.0002725962 -0.0001474809 -0.0006021686 -0.0001000029 0.0001843791 -0.0000117010 0.0001656760 -0.0001439737 0.0000130802 0.0000040348 -0.0000317088 -0.0001274321 0.0002231110 0.0001547193 0.0000018331 -0.0002961885 0.0002468870 -0.0000594907 -0.0002367862 0.0000783108 0.0000716443 0.0027084036 -0.0019734746 0.0006257248 0.0001905385 0.0010139142 -0.0001019102 -0.0000038959 -0.0002290228 0.0051609208 -0.0021331636 -0.0240061019 -0.0705863161 -0.0255049298 0.2760735019 0.0091595361 0.0473326315 0.0206755462 -0.0048353298 -0.0253052547 0.0791991512 -0.1680874366 0.2822063001 -0.1380603473 0.2272646053 0.0263778829 -0.8121316542 0.0074138702 -0.0023643938 -0.0142628357 -0.0043022918 0.0199823980 -0.0126043530 -0.0809743711 0.0025685936 0.1876433933 -0.0023548060 0.0093700078 -0.0019643839 -0.0083191972 -0.0381459086 -0.0259982166 0.0336728650 -0.0703006925 0.0470104261 -0.0046952225 -0.0062231051 0.0035084611 -0.0342285059 0.0652502897 -0.0472622090 -0.0008983381 -0.0064243509 -0.0027456467 0.0865168118 0.0135440756 0.0095911887 0.0000938173 -0.0000929516 0.0000591192 0.0001930945 -0.0001597904 -0.0000974841 -0.0009426005 0.0025687830 -0.0050471474 0.0000001110 0.0000478464 0.0000106355 -0.0001161392 0.0000938665 0.0000119070 0.0017229384 0.0006627570 -0.0004825673 -0.0004045583 -0.0011511756 -0.0009265189 0.0000477639 -0.0004957557 0.0012943193 0.0000163171 -0.0002037030 0.0004091118 0.0002067926 0.0003274633 0.0003148514 -0.0001530797 0.0019452054 -0.0050614074 -0.0002315719 -0.0007866043 -0.0005633373 0.0023366724 0.0106561509 0.0065082694 0.0009456078 -0.0010400753 0.0001864146 0.0001481942 -0.0001020640 -0.0001328993 -0.0000259830 0.0000087938 0.0000024753 -0.0011991561 0.0013692848 0.0013116761 0.0000494431 -0.0000313960 0.0001124543 0.0003244564 -0.0007616457 -0.0004133277 -0.0008676933 -0.0001594257 0.0002581414 -0.0000226846 0.0013330395 -0.0011388379 0.0000439070 -0.0000051771 -0.0001539681 -0.0005674011 0.0012468957 0.0007698260 0.0000894743 -0.0011778683 0.0009350578 -0.0001558715 -0.0001675659 -0.0001381333 -0.0000027420 0.0012943769 -0.0010204414 0.0019521219 0.0005115917 0.0028462774 -0.0001385796 0.0000469595 0.0004734282 0.0010962985 -0.0003294864 -0.0065449111 -0.0168780006 -0.0060611906 0.0731205376 0.0044846430 0.0145773446 0.0055302594 -0.0018836172 -0.0039524555 0.0137842896 -0.0233224533 0.0401617065 -0.0180762490 0.0421220081 0.0053705975 -0.1491184914 -0.0410063204 0.0446958921 0.0188626343 0.2564789624 -0.5287778527 0.3256491582 0.2283695312 -0.0031141874 -0.5441470797 0.0046742424 -0.0372703654 -0.0017778902 0.0555631876 0.2437424513 0.1593213411 -0.1019235429 0.2027313807 -0.1403330406 -0.0017359066 0.0040442585 0.0003771457 0.0087135516 -0.0181344518 0.0148409328 -0.0050437675 -0.0372513448 -0.0226741487 0.0172347799 0.0038194983 0.0031758338 -0.0001250459 -0.0000318888 -0.0002508662 -0.0000379752 -0.0002914343 -0.0001169652 -0.0001531840 0.0004663043 -0.0010762842 0.0000268149 0.0000153839 -0.0000363162 -0.0000687780 -0.0000588390 -0.0000556026 0.0006306122 0.0002470959 -0.0001925757 0.0001928574 0.0006746454 0.0005261922 0.0000285336 -0.0001581755 0.0003727736 0.0001214767 0.0001384340 0.0006452990 -0.0011706765 -0.0036705235 -0.0028553400 -0.0001604854 0.0019077838 -0.0047742128 -0.0002766127 -0.0006257445 -0.0005007657 0.0020654541 0.0088214599 0.0054070433 0.0011277280 -0.0013221847 0.0004594689 0.0000782819 0.0000473262 0.0000571878 -0.0000478398 0.0000192940 -0.0000283947 0.0002770760 -0.0006650337 -0.0003432718 -0.0000578259 0.0002140326 -0.0002038554 0.0000790402 0.0003740020 0.0000883372 0.0006240210 0.0002063499 -0.0001939147 0.0000526388 -0.0029365488 0.0024735004 -0.0001620298 0.0004237299 0.0002121996 0.0020210980 -0.0045650718 -0.0029563823 -0.0003208460 -0.0006418428 0.0005022930 0.0002146205 0.0002994070 0.0001715614 0.0000006253 -0.0022349040 0.0017123769 -0.0025227912 -0.0007334130 -0.0038392471 0.0002601146 0.0000874723 -0.0005429244 0.0005376023 -0.0006566601 -0.0031134239 -0.0087236970 -0.0029848327 0.0321732517 0.0024608848 0.0111281409 0.0053112086 0.0001811867 0.0001613982 -0.0011266493 0.0008062520 -0.0014592411 0.0006987542 -0.0032724449 -0.0004846071 0.0120373865 0.0001576251 -0.0002707211 0.0001263899 -0.0015837339 0.0034239427 -0.0020466976 -0.0000907869 0.0000403354 0.0006463889 0.0000467320 0.0003708386 0.0001713588 -0.0009108640 -0.0037963431 -0.0024362059 0.0003071902 -0.0006339007 0.0004898198 -0.0000156255 0.0000381832 -0.0000991239 0.0005529904 -0.0010404619 0.0007397230 0.0000942066 0.0006905237 0.0003995680 -0.0004488919 -0.0000628778 -0.0000307644 -0.0001045664 -0.0000816283 0.0001173899 -0.0000381717 0.0000283020 0.0001158946 0.0000492548 0.0001896041 0.0000764710 -0.0000220934 -0.0000525354 0.0000409579 -0.0076509433 -0.0034856517 -0.0077563348 0.0719708114 0.0273327101 -0.0234751523 0.0164534938 0.0467407202 0.0388561239 0.0014506333 -0.0313949401 0.0788800357 0.0133495699 0.0159591454 0.0864122454 -0.1537916438 -0.4630517705 -0.3574967608 -0.0123550797 0.2678145587 -0.6729094846 0.0131814401 0.0079234652 0.0148295785 -0.0477486533 -0.1996239021 -0.1207841107 -0.1060476641 0.1079743493 -0.0455638014 0.0011165530 -0.0006608208 -0.0003576358 -0.0004013845 0.0002644326 -0.0003562929 -0.0022079183 0.0043801969 0.0019947202 -0.0000704371 0.0000037525 0.0000510133 0.0001169019 -0.0003264832 -0.0002200697 0.0006663501 0.0001122233 -0.0002262955 0.0000087481 0.0001734162 -0.0001431235 -0.0000095970 -0.0001065855 0.0000981464 0.0001238560 -0.0002278254 -0.0001315865 -0.0000165357 0.0014566833 -0.0011723355 -0.0001157875 0.0003143147 -0.0004249039 -0.0001421521 -0.0040848270 0.0030857038 0.0016393531 0.0004914530 0.0022516517 -0.0000999918 0.0001517829 0.0003768041 0.0004314148 -0.0001893006 -0.0034530983 -0.0086637177 -0.0028771352 0.0378063846 0.0029358453 0.0080628799 0.0031149344 -0.0005831504 0.0005081386 -0.0015722881 0.0072608776 -0.0158454543 0.0063091889 -0.0035911694 -0.0006440662 0.0099748266 -0.0199325910 0.0160852818 0.0198711881 0.0850632245 -0.1739190267 0.1091638737 0.1465119241 -0.0056607715 -0.3429885909 -0.0025558942 0.0812766754 0.0118947600 -0.1489466696 -0.6031150505 -0.3917489877 0.1869094537 -0.3683236842 0.2535773693 0.0028579115 -0.0140610115 -0.0034562306 -0.0294428468 0.0514365127 -0.0373374826 0.0174595066 0.1244800305 0.0763048193 -0.0194628711 -0.0072583972 -0.0015509532 -0.0000762623 -0.0000423122 -0.0001927575 0.0000896944 -0.0002162757 0.0000753770 0.0002041026 0.0002543754 -0.0020363568 0.0000245904 -0.0000516960 -0.0000127184 -0.0000393924 0.0000408230 0.0000391995 0.0007051665 0.0002602297 -0.0001876762 -0.0002217316 -0.0006019781 -0.0005110476 0.0000036470 -0.0000735548 0.0002265327 -0.0000496717 -0.0001117396 -0.0002543795 0.0006654093 0.0018812522 0.0014532584 0.0000178651 -0.0006415828 0.0016133274 -0.0000593892 -0.0005547413 -0.0002881992 0.0014450054 0.0060464947 0.0036955569 -0.0007824833 0.0006335166 -0.0003292942 -0.0000364433 0.0000473054 0.0000050567 0.0000137818 -0.0000134982 0.0000126219 0.0003346070 -0.0004932937 -0.0003427995 -0.0002505887 -0.0002475188 0.0002203775 -0.0000662358 0.0002753952 0.0001450912 0.0030850081 0.0005631975 -0.0010185481 -0.0000754541 0.0021304162 -0.0018393836 0.0000174792 -0.0000478797 -0.0000128874 -0.0002857910 0.0005213378 0.0003571954 0.0000161473 -0.0000494665 0.0000555613 0.0003287171 -0.0003092505 0.0006650509 0.0001528021 0.0048885019 -0.0033857127 -0.0036550180 -0.0011201909 -0.0052706155 -0.0002383863 -0.0007224046 -0.0012512263 0.0154568547 -0.0066617123 -0.0812105665 -0.2308287689 -0.0795474094 0.8901298172 0.0408418980 0.1721046472 0.0817467797 0.0012309915 0.0071748788 -0.0250865337 0.0532528950 -0.0833707861 0.0428241506 -0.0726856438 -0.0101413196 0.2510248254 0.0019359250 -0.0065599194 0.0072699727 -0.0409457421 0.0794036355 -0.0481224653 0.0186021029 0.0017319870 -0.0363641326 0.0005159876 -0.0035585788 0.0003652706 0.0051125891 0.0196577055 0.0128423981 -0.0112507960 0.0224199867 -0.0150799418 0.0011040821 0.0029418289 0.0000669826 0.0084887261 -0.0153986566 0.0110622159 -0.0021330875 -0.0164628924 -0.0104679971 -0.0190230853 -0.0025089524 -0.0018341116 0.0002314320 -0.0002762371 0.0006836646 0.0000133515 -0.0005898349 0.0030874867 0.0059093479 0.0063653686 -0.0373149855 -0.0000454336 0.0002041470 0.0000796303 0.0002432100 0.0005627046 0.0002951674 -0.0010117630 -0.0005237396 0.0005135931 -0.0019546743 -0.0054197510 -0.0045083621 0.0001915721 -0.0001363107 0.0004468069 -0.0005047387 -0.0012449139 -0.0023050709 0.0069507833 0.0193580524 0.0149611993 0.0000007217 -0.0054071697 0.0133801687 0.0007095271 -0.0061600569 -0.0019957117 0.0125058139 0.0545435420 0.0336467774 -0.0208641766 0.0198510989 -0.0094282696 0.0007352648 -0.0003449383 -0.0005848206 -0.0001080359 0.0000142986 0.0000692118 -0.0051552828 0.0049310253 0.0046420353 -0.0438558989 -0.0498613221 0.0370903044 -0.0534997305 0.1030688078 0.0727397232 0.5826297790 0.0962529439 -0.1897690450 -0.0119558880 0.3944887928 -0.3303686861 -0.0048886325 0.0315485128 -0.0102448761 0.0569703470 -0.1232286764 -0.0817504619 0.0000651553 -0.2616605219 0.2149275867 0.0179694264 -0.0036445361 0.0345318565 0.0081220448 0.1242174891 -0.0950110974 -0.2152091145 -0.0722483547 -0.3244436109 0.0000885510 -0.0004506841 0.0010091541 -0.0001078883 -0.0000924580 0.0004687310 0.0013721662 0.0004922253 -0.0055795635 -0.0000054862 0.0005095770 0.0001246498 0.0000422109 -0.0000949204 0.0001327439 -0.0008700393 0.0012328819 -0.0006748519 0.0003153980 -0.0000065193 -0.0009583134 -0.0000748524 0.0002177486 -0.0002036366 0.0013229355 -0.0025442835 0.0016350589 -0.0003959323 0.0000593662 0.0008678865 0.0000074706 0.0001860151 0.0000459207 -0.0004371299 -0.0016040525 -0.0010252762 0.0003191912 -0.0006109627 0.0004339122 -0.0001769416 -0.0000735547 -0.0001150579 0.0002921717 -0.0006077427 0.0004506755 0.0001456111 0.0011767407 0.0007145824 0.0016623501 0.0002893557 0.0002039879 -0.0000268742 -0.0002179959 -0.0004816437 -0.0000024359 0.0001326623 -0.0003160583 -0.0000142041 -0.0005747588 0.0026489976 -0.0001591125 0.0005456430 -0.0000256040 -0.0027661482 -0.0028052250 0.0003870672 0.0298015198 0.0113868397 -0.0088140297 0.0051066907 0.0180765031 0.0139447485 -0.0013656785 0.0043356883 -0.0098346679 -0.0001432660 -0.0001760407 -0.0002257405 0.0008346455 0.0020652407 0.0017038159 0.0003595994 -0.0006825306 0.0013125923 -0.0006768392 0.0010104914 -0.0002264962 -0.0007553748 -0.0026447508 -0.0016522118 0.0091647954 -0.0090837221 0.0037698016 0.0000737954 -0.0001475932 0.0002001781 0.0000119998 0.0000758030 -0.0001225304 -0.0002926180 0.0001927399 -0.0001838666 -0.0264422322 -0.0271881356 0.0235020130 -0.0199685866 0.0358892279 0.0282401554 0.3441882989 0.0569435902 -0.1113131356 -0.0057517927 0.2323618709 -0.1941504970 0.0013273040 -0.0053917674 -0.0003192954 -0.0172629461 0.0373268144 0.0248364722 -0.0021773802 0.0305934865 -0.0264748172 -0.0350828161 0.0128156968 -0.0721702550 -0.0139212984 -0.2978160093 0.2291525660 0.4267384088 0.1444069107 0.6420523341 0.0002008498 0.0003960700 -0.0020300546 0.0000377891 -0.0000426875 -0.0002488236 -0.0005935389 -0.0003153286 0.0022922364 0.0002046266 0.0006539522 0.0005746171 0.0000036427 0.0000001195 -0.0000531615 0.0000841647 0.0000326817 0.0000246778 -0.0001379785 0.0000432248 0.0005406262 0.0001987668 -0.0002469368 -0.0000423331 -0.0013485158 0.0028180366 -0.0019155260 -0.0008829129 -0.0001044601 0.0023157813 0.0000038850 -0.0002848282 -0.0000445926 0.0006200862 0.0021897608 0.0014431949 -0.0006833346 0.0012626201 -0.0008632023 -0.0000146549 0.0002199260 0.0000030412 0.0006538916 -0.0012040606 0.0008737131 -0.0001978382 -0.0013617349 -0.0008554559 -0.0003205323 -0.0000182355 -0.0000279596 -0.0002064244 0.0006227500 0.0008863150 -0.0000384597 -0.0000201744 0.0004849549 -0.0000735469 0.0006318105 -0.0028557244 0.0003984103 -0.0011560822 -0.0000736383 -0.0015813235 -0.0016959554 0.0003261522 0.0166819899 0.0062880036 -0.0048584474 0.0029384522 0.0108830063 0.0080880339 -0.0007495040 0.0033732725 -0.0072987772 -0.0001578539 -0.0003412464 -0.0000291771 0.0012114095 0.0027747081 0.0021827853 0.0002549735 0.0005994652 -0.0016806789 0.0020360266 -0.0032784703 0.0004312506 0.0028496629 0.0113472139 0.0072814818 -0.0272324199 0.0276402007 -0.0117390948 0.0000715396 -0.0000726706 -0.0002187699 0.0000618928 -0.0000483668 0.0000239042 -0.0014405099 0.0012231836 0.0010694283 0.0013565367 -0.0005808698 -0.0007532816 -0.0033382616 0.0083240151 0.0055436403 -0.0124395449 -0.0023552332 0.0041062026 0.0002021088 0.0003351127 0.0001826808 -0.0000701476 0.0018380171 -0.0013290957 0.0009108441 -0.0015676724 -0.0010668630 -0.0005695050 -0.0200909890 0.0159098441 -0.0019542621 0.0008594834 -0.0039931489 -0.0008127944 -0.0175941438 0.0136172582 0.0231538290 0.0080811814 0.0345076876 0.0006808952 0.0000063011 -0.0017180471 0.0006151024 -0.0000324451 -0.0040387289 -0.0115447016 -0.0041819451 0.0473554261 0.0012487887 0.0032651184 0.0011857816 0.0001741743 -0.0010563696 0.0018271798 -0.0055820788 0.0111406924 -0.0053265703 0.0030292322 0.0000489990 -0.0148546023 -0.0000629580 -0.0086817785 0.0155215175 -0.0525737289 0.1063222881 -0.0628526744 0.0528955852 -0.0030049688 -0.1216568443 0.0005248945 -0.0017219744 0.0006516901 0.0012843248 0.0051359369 0.0031269364 -0.0084059019 0.0151709523 -0.0101701255 -0.0036023466 0.0013445796 -0.0019901142 0.0127287249 -0.0243805917 0.0172795756 -0.0002140111 0.0028082837 0.0013831370 0.0311182201 0.0060179223 0.0037630843 -0.0002295413 -0.0001122138 0.0005915350 0.0002349251 0.0005201174 0.0006962301 -0.0000113621 0.0007409464 -0.0047349821 0.0000166398 -0.0001746178 0.0001283664 -0.0086115978 -0.0121522142 -0.0017560092 0.0797213489 0.0314860452 -0.0247363141 0.0306516891 0.0962445939 0.0790133986 -0.0027428457 0.0114791441 -0.0341045806 0.0014134268 0.0054753069 -0.0012795635 -0.0181590060 -0.0416639774 -0.0321557787 -0.0004609402 -0.0195908583 0.0471098757 -0.0374463699 0.0806007083 0.0006080107 -0.1043047521 -0.4019692640 -0.2555220347 0.5524170154 -0.5594118159 0.2372427881 -0.0043593949 0.0030974375 0.0042311189 0.0001797384 -0.0000907843 -0.0003270780 0.0408477889 -0.0325154032 -0.0298912564 -0.0003014209 0.0001515659 0.0001518930 0.0006955552 -0.0018486094 -0.0012173534 0.0028173593 0.0005120700 -0.0009380331 -0.0000417018 -0.0003175776 0.0001870946 -0.0000436715 0.0000946339 0.0000754685 0.0005151483 -0.0012615626 -0.0008211168 0.0001965319 0.0000652887 0.0000874040 0.0003994585 -0.0001800960 0.0008571823 0.0001391751 0.0037760643 -0.0029923781 -0.0048533022 -0.0017401067 -0.0071752937 -0.0000498315 0.0001880447 0.0008182671 -0.0009527177 0.0004531083 0.0057561959 0.0189142876 0.0062671914 -0.0637014482 -0.0035098162 -0.0136902496 -0.0074670467 0.0001718372 -0.0059548930 0.0141003853 -0.0357617134 0.0659858378 -0.0318738393 0.0334222779 0.0031651239 -0.1309604953 0.0000735325 -0.0427839217 0.0753905557 -0.2574685338 0.5227922680 -0.3089409026 0.2547146912 -0.0156138175 -0.5883620789 0.0022001761 -0.0085537356 0.0025320409 0.0083825266 0.0319636489 0.0196514618 -0.0394366677 0.0699963367 -0.0471254969 -0.0207681514 0.0073671377 -0.0109547467 0.0699540844 -0.1348967993 0.0958184232 -0.0017077712 0.0141517380 0.0068801492 0.1829685805 0.0351182627 0.0219732302 -0.0001451599 0.0000835348 -0.0003218765 0.0002676513 0.0000931055 -0.0008721566 -0.0012951035 -0.0012708277 0.0079554259 -0.0000196287 0.0000374619 -0.0000747425 0.0022491108 0.0030638820 0.0004884227 -0.0208247705 -0.0081889447 0.0063988209 -0.0076965703 -0.0245919694 -0.0201259901 0.0006487427 -0.0026720652 0.0080934361 -0.0002373655 -0.0009859996 0.0004456090 0.0030927341 0.0067492809 0.0052249214 0.0001378537 0.0043879022 -0.0106131072 0.0073814011 -0.0158032445 -0.0001027508 0.0205258117 0.0784651656 0.0498880666 -0.1085333451 0.1100851527 -0.0465917740 0.0007267793 -0.0006273735 -0.0008387142 0.0000135387 -0.0000011479 0.0000808097 -0.0078247390 0.0065282322 0.0057730998 -0.0013526807 -0.0018423546 0.0011935082 -0.0028175666 0.0053365184 0.0043368071 0.0195680307 0.0025527155 -0.0060253347 0.0001147693 0.0144529819 -0.0114598132 -0.0004468174 0.0051735689 -0.0028314851 0.0054001934 -0.0117968843 -0.0078394523 0.0004541548 -0.0491120178 0.0402732870 -0.0009216286 0.0005533702 -0.0018487511 -0.0003749229 -0.0092253339 0.0070523417 0.0105586742 0.0035152245 0.0154111784 0.0000608294 0.0000868269 -0.0002785902 0.0000875351 0.0000708578 -0.0005425078 -0.0017025999 -0.0005735609 0.0066399164 0.0000617736 -0.0003406623 -0.0001772137 -0.0000309063 0.0000130565 0.0000285382 0.0003417570 -0.0003433221 0.0002094914 0.0000310848 -0.0000228367 -0.0004364156 -0.0000516389 -0.0001153929 0.0002879305 -0.0009143033 0.0014214486 -0.0008183678 0.0011573198 0.0000296190 -0.0026902052 0.0001839544 -0.0002605297 0.0002543713 -0.0001385787 -0.0004882299 -0.0003718716 -0.0016395655 0.0034560345 -0.0023862640 0.0040063355 -0.0008367498 0.0021699412 -0.0119956806 0.0241336926 -0.0173942445 -0.0003055659 -0.0075395064 -0.0042745583 -0.0354536937 -0.0065601469 -0.0043763775 -0.0000148223 -0.0000115255 0.0000746462 0.0000665541 0.0000565491 0.0000488546 -0.0000379853 0.0000022096 -0.0001642841 0.0000585820 -0.0000941229 0.0000176100 0.0577487323 0.0683924221 0.0136209904 -0.5406752697 -0.2108941610 0.1622619383 -0.1676533605 -0.5657704783 -0.4609329399 0.0171696149 -0.0415527545 0.1370873615 0.0032111112 0.0079489094 0.0071110192 -0.0294536772 -0.0922194674 -0.0717589037 -0.0009613134 0.0039506670 -0.0116760337 -0.0057587626 0.0130537007 0.0006621460 -0.0220162401 -0.0728513036 -0.0451726487 0.0850482503 -0.0866967198 0.0353436043 -0.0008741059 0.0006522237 0.0009880592 0.0000078416 -0.0000218405 -0.0002049608 0.0094845444 -0.0075379405 -0.0072966599 0.0001072740 -0.0000057181 -0.0000263516 -0.0000134355 0.0001294213 0.0001298321 -0.0012522680 -0.0002545983 0.0004232943 0.0000437863 0.0001915603 -0.0001337911 0.0000150175 0.0001476907 -0.0001799572 -0.0002345973 0.0004987719 0.0002985996 0.0000287415 -0.0021816251 0.0017409763 -0.0000903300 -0.0000196575 -0.0002000188 -0.0000372663 -0.0004001965 0.0003470779 0.0012591136 0.0004295297 0.0018786466 0.0000197859 -0.0001050247 -0.0001987639 0.0002833924 -0.0000492154 -0.0014181734 -0.0052338516 -0.0016365979 0.0164896821 0.0006114977 0.0027123991 0.0014721000 -0.0000142566 0.0023230022 -0.0052643410 0.0137500816 -0.0258385305 0.0124195257 -0.0126055543 -0.0006114967 0.0493030253 0.0002700260 0.0113321396 -0.0197663321 0.0709534170 -0.1386095754 0.0814311211 -0.0672747454 0.0030087885 0.1551530208 -0.0043760853 0.0073050106 -0.0058947802 0.0011073031 0.0036807998 0.0032788585 0.0440554172 -0.0886765112 0.0606191164 -0.0779907784 0.0145740978 -0.0421036681 0.2274604726 -0.4599208298 0.3314288293 0.0070140340 0.1565145471 0.0889774579 0.6946953044 0.1281592261 0.0855791929 0.0000322035 -0.0000065028 0.0000937246 -0.0001462283 -0.0000821687 0.0003930387 0.0006538378 0.0007232336 -0.0038696084 -0.0000134813 0.0000178695 0.0000205560 0.0028259398 0.0032601629 0.0006119591 -0.0268020751 -0.0104458779 0.0080405778 -0.0078706652 -0.0266542726 -0.0217457929 0.0009038710 -0.0019528728 0.0064344824 0.0001712434 0.0004653206 0.0002331063 -0.0015600535 -0.0047669929 -0.0037320456 -0.0000820503 -0.0004605045 0.0010957677 -0.0005512089 0.0010573098 -0.0000165957 -0.0014890941 -0.0050402993 -0.0031646767 0.0076395559 -0.0077841132 0.0031979583 0.0000553286 0.0000411368 0.0000972161 -0.0000523728 0.0000231096 -0.0000373966 0.0004640920 -0.0005399932 -0.0003793537 0.0220296416 0.0093211485 -0.0191896731 -0.0262279826 0.0730392021 0.0371349673 -0.2399250644 -0.0422079906 0.0764100829 0.0070062225 -0.1419340709 0.1229306124 -0.0070677238 0.0724009006 -0.0371352546 0.0850517411 -0.1911829436 -0.1235659971 0.0032266550 -0.6756723384 0.5566399049 -0.0074213305 0.0095028905 -0.0192465361 -0.0090816897 -0.1325758900 0.1015549790 0.0895664776 0.0289129619 0.1299799746 0.0002446259 0.0000597278 -0.0008668780 0.0000286012 -0.0000388661 -0.0000558567 -0.0000884433 -0.0001087406 0.0004620916 0.0000654484 0.0005205816 0.0002638890 0.0000431087 -0.0000115015 -0.0001232123 -0.0001694557 0.0001899674 -0.0001372601 -0.0004136866 -0.0000550700 0.0015245092 0.0000403245 0.0001214580 -0.0003256705 0.0007843859 -0.0014335784 0.0008167537 -0.0012022812 0.0000230812 0.0030388003 0.0000061609 0.0000423578 0.0000170244 -0.0001273391 -0.0004301125 -0.0002588708 0.0000516337 -0.0001130003 0.0000818005 0.0000808339 -0.0002987001 -0.0000317204 -0.0007204404 0.0013789515 -0.0010205851 0.0003201457 0.0023267495 0.0014623384 -0.0006008785 -0.0001596548 -0.0000544687 -0.0004205229 0.0001903751 0.0003267157 -0.0000801367 -0.0000405765 0.0003240274 -0.0000017831 0.0006011183 -0.0023899027 0.0002152584 -0.0005550389 0.0001330951 -0.0029208001 -0.0031221632 -0.0013235578 0.0271260730 0.0106688560 -0.0082466364 0.0089086600 0.0290643341 0.0243599956 -0.0007062785 -0.0011814693 0.0000246533 -0.0002980869 -0.0009382643 -0.0005585691 0.0033390837 0.0100679355 0.0077567665 -0.0000251490 0.0005320974 -0.0011692119 0.0016260539 -0.0038813450 -0.0002077949 0.0057834679 0.0213582746 0.0139628211 -0.0250790876 0.0256634147 -0.0106841113 0.0005124137 -0.0003859459 -0.0003307960 -0.0000452307 0.0000032911 0.0000149551 -0.0041333597 0.0033772990 0.0028752279 -0.0000025412 -0.0001443507 0.0000347597 -0.0002769091 0.0007246513 0.0004848120 0.0003695271 0.0000667550 -0.0001047699 -0.0000330923 0.0009413076 -0.0007992579 0.0000383361 -0.0002692903 0.0001008935 -0.0004897007 0.0010718655 0.0006944214 0.0000213490 0.0022188148 -0.0018465048 -0.0000615978 -0.0001145033 -0.0000546815 -0.0000002411 0.0008903195 -0.0006570736 0.0007314904 0.0002511399 0.0012195592 0.0000335532 -0.0000975844 -0.0000878026 0.0001813745 -0.0000570407 -0.0006952942 -0.0026393627 -0.0008147049 0.0081152114 0.0006397006 0.0020437142 0.0009791101 0.0006246030 0.0004481661 -0.0037247581 0.0030680729 -0.0032279757 0.0014588606 -0.0131226244 -0.0020097862 0.0438315094 0.0008716117 -0.0019827987 0.0015106748 -0.0135016511 0.0233210420 -0.0140441475 0.0026529722 0.0005057785 -0.0059769323 0.0007098481 -0.0161388264 -0.0017777837 0.0253434995 0.1119084772 0.0737574506 -0.0353226966 0.0755281883 -0.0514349842 -0.0084859304 -0.0896593153 -0.0177264730 -0.1822450269 0.3370713114 -0.2571382243 0.0855766364 0.7080000207 0.4429498451 0.2022477372 0.0258722922 0.0241865643 -0.0000019201 0.0000222165 0.0000572354 -0.0000281932 0.0000592653 0.0000039811 0.0000758957 -0.0001399084 0.0003880734 -0.0000158655 0.0000450618 -0.0000053402 0.0000007304 -0.0000241756 0.0000201106 -0.0000634195 -0.0000154411 0.0000219595 0.0000471085 0.0001573905 0.0001312201 -0.0000056891 0.0001464606 -0.0003780704 -0.0000023776 -0.0000055477 -0.0000168733 0.0000403313 0.0001184815 0.0000885857 -0.0000074150 -0.0000449544 0.0001179455 0.0000558143 -0.0001306000 -0.0000014990 0.0001939003 0.0006728137 0.0004290674 -0.0008501185 0.0008956158 -0.0003839042 0.0000650066 -0.0000431804 -0.0000178447 -0.0000192506 0.0000128006 -0.0000094946 -0.0004243420 0.0004154180 0.0003377585 -0.0492764236 0.0724125365 0.0308754856 0.2816971065 -0.7285950033 -0.4294605283 0.3111491807 0.0590722811 -0.1036790535 -0.0001279538 -0.1952104078 0.1660813269 -0.0026821365 0.0126495414 -0.0013555747 0.0274773717 -0.0749637471 -0.0509585805 0.0018446301 -0.0775147350 0.0633573711 0.0001697542 0.0010624656 -0.0008741190 -0.0015435905 -0.0112176620 0.0088552180 0.0011681278 0.0005366606 0.0029579067 0.0004284832 -0.0006967595 -0.0002790444 -0.0000009336 0.0000182370 -0.0000797370 -0.0002114502 -0.0001645836 0.0009844581 -0.0000485890 -0.0001328369 -0.0000023512 -0.0000093992 0.0000281261 -0.0000316867 0.0002247247 -0.0003183405 0.0001735777 -0.0000776836 0.0000123200 0.0002264252 0.0000160295 0.0000370993 -0.0000949192 0.0001980765 -0.0005337993 0.0002434297 -0.0003346590 -0.0000054884 0.0008459333 -0.0000083921 -0.0000461804 -0.0000188635 0.0001345345 0.0004729048 0.0003077218 -0.0000147386 0.0000751386 -0.0000582059 -0.0000332832 -0.0001240731 -0.0000328589 -0.0002162349 0.0003794418 -0.0002972695 0.0001075886 0.0010336024 0.0006382565 0.0005050816 0.0000817069 0.0000607307 -0.0001243967 0.0001258703 0.0001609944 0.0001269627 0.0004430710 -0.0000431833 -0.0005676162 -0.0008141921 0.0028727224 -0.0003183481 0.0001444649 -0.0001481041 -0.0001190514 -0.0001397814 -0.0018220266 -0.0019217504 -0.0004655608 0.0004632557 0.0025388306 0.0084315468 0.0073452613 0.0010166940 -0.0065641282 0.0140886261 0.0000148360 -0.0000370715 -0.0003882821 0.0003762692 0.0016983271 0.0011713142 -0.0001212580 -0.0012783687 0.0032437936 -0.0003006091 0.0008655496 0.0001549460 -0.0011101496 -0.0056158224 -0.0031148303 0.0051162360 -0.0052330976 0.0027952814 -0.0014660626 0.0008875308 -0.0005752145 0.0003542356 -0.0001506443 0.0006842822 0.0068774892 -0.0052497617 -0.0030556814 -0.0000235474 0.0019207812 0.0001674309 0.0052898995 -0.0165490066 -0.0093126249 -0.0054370423 -0.0010560993 0.0017678042 -0.0001202875 -0.0076253645 0.0062838775 -0.0000867553 0.0006392000 -0.0002139262 0.0010209287 -0.0025509440 -0.0015325444 0.0003914888 -0.0040640843 0.0037319448 0.0000278454 0.0000420971 0.0000434125 -0.0000505902 -0.0003020980 0.0002041489 -0.0003916126 -0.0001552534 -0.0005830247 -0.0000215515 0.0000317391 0.0000718740 0.0000063557 -0.0000067607 0.0000085974 -0.0000016604 0.0000097297 -0.0000632591 0.0000001524 0.0000937234 0.0000256260 0.0000074793 -0.0000057789 -0.0000139776 -0.0000770356 0.0000856898 -0.0000208629 -0.0000287581 -0.0000143186 0.0002237391 0.0000011282 0.0000094552 -0.0000234203 0.0000904621 -0.0001056315 0.0000916616 -0.0001056946 0.0000054014 0.0002566860 -0.0000016575 0.0000105143 -0.0000015771 -0.0000234169 -0.0000510928 0.0000056489 0.0000191536 -0.0000778125 0.0000941287 -0.0000208173 0.0000265516 -0.0000171361 0.0001739787 -0.0003202677 0.0002629704 0.0000075860 -0.0000382323 0.0000162059 0.0000827923 0.0000064921 0.0000527959 0.0000039707 -0.0000041641 -0.0000443792 -0.0000312048 -0.0000535675 0.0000412652 0.0000788891 0.0001460069 -0.0006799844 0.0000007896 -0.0000096278 -0.0000084846 -0.0043561428 -0.0130136193 0.0912598423 0.1833996629 0.0743712673 -0.0504521135 -0.0787364753 -0.2548636874 -0.1954250850 -0.0478255447 0.3353719830 -0.8469451224 0.0008471578 0.0002928097 0.0083352720 -0.0083409320 -0.0298458694 -0.0239510492 -0.0046894572 0.0305664437 -0.0718947225 0.0003445722 -0.0006862036 -0.0000808505 0.0002200823 0.0025518422 0.0017020583 -0.0040606474 0.0035382003 -0.0016827083 0.0004387236 -0.0001473729 -0.0003159981 -0.0003363470 -0.0000587832 0.0003327755 -0.0014696805 0.0022873492 0.0014999640 -0.0002022028 0.0001327701 0.0001733135 0.0008015084 -0.0024176037 -0.0011139766 0.0016788620 0.0002367297 -0.0005782224 -0.0000684423 0.0005146085 -0.0003431926 -0.0000048141 -0.0000749893 0.0000766461 0.0002500742 -0.0002973204 -0.0002650168 -0.0000030140 0.0009066874 -0.0008011112 0.0001453335 0.0002714692 0.0002154334 -0.0002813881 0.0006443130 -0.0000997048 -0.0023731102 -0.0011690806 -0.0041442671 0.0015025734 -0.0044172384 -0.0005760377 -0.0020027824 0.0021852085 0.0030063732 0.0078845436 0.0034729946 -0.0342183155 -0.0007120727 -0.0166677375 -0.0062552486 -0.0003582525 -0.0000384140 0.0006623418 0.0020842813 -0.0006719354 0.0001351014 0.0046673607 0.0000403898 -0.0078647012 0.0000259587 -0.0002179437 0.0003438706 -0.0010943242 0.0023570001 -0.0008490325 0.0009968183 -0.0002920660 -0.0034415629 0.0000063848 -0.0001015081 -0.0000018409 0.0003263194 0.0008400147 0.0004905967 -0.0003891716 0.0006572462 -0.0005244679 0.0001056053 -0.0001182565 0.0001214651 -0.0007586425 0.0017510926 -0.0011935068 0.0000081344 -0.0002703298 -0.0000479570 -0.0003614723 -0.0000327224 -0.0001717491 0.0000435574 0.0002080170 -0.0007316460 -0.0054499610 -0.0119581494 0.0845283460 0.0592102863 0.1704224688 -0.9789287680 -0.0001502819 0.0003451444 -0.0000177375 0.0000550863 0.0000248031 -0.0000701711 -0.0009570389 -0.0003035911 0.0002786602 0.0000708388 0.0001548394 0.0001522939 0.0000570019 -0.0002118746 0.0004395612 0.0000248516 0.0000459874 0.0000131972 -0.0003132877 -0.0005989872 -0.0004327272 -0.0000359130 -0.0000047266 0.0000955831 0.0003350523 -0.0003035884 0.0001040390 0.0006046385 -0.0009341444 -0.0008467765 -0.0034371451 0.0040378714 -0.0014511848 0.0005297695 0.0002684923 0.0006422950 -0.0003525251 0.0002659247 -0.0003689715 0.0023891130 -0.0048798193 -0.0028279150</array>
                     <array dataType="xsd:integer" dictRef="x:serial" size="126">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</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="126">-50.54654731 31.36327702 32.66216647 40.56272103 53.00375155 58.86309552 76.61287015 85.52651002 101.12581997 118.91567440 128.55987344 141.63140825 148.10949580 160.18700412 185.77346734 193.92822375 228.93101619 241.90326057 275.50450304 282.51390387 290.02186719 300.52287892 315.29123265 360.02414737 383.82755829 411.17295577 441.06239387 460.23707980 525.42013358 543.06583017 569.03499063 674.08392325 720.16083810 757.09385746 780.20701685 790.68600754 794.64714376 806.16103856 825.91468508 863.52126307 887.99613227 893.05966753 893.49719625 920.59742159 934.36707806 954.50966239 956.24693951 979.03934542 1007.96085087 1026.35079531 1039.74208846 1093.48811716 1094.91040660 1112.00999314 1119.91358129 1127.38658633 1135.14297759 1139.84280440 1148.91590292 1182.66307878 1192.45176904 1206.74609978 1228.45575219 1259.44763565 1279.80551524 1301.11230461 1309.16026632 1314.93367663 1324.40882649 1331.12275325 1346.12019878 1367.76479005 1375.36694214 1384.77664204 1385.59920977 1390.21940079 1412.62154061 1418.41966754 1424.89045622 1426.53715976 1429.20643399 1436.29081993 1459.61372591 1466.52200373 1469.55286402 1475.98561330 1480.79648518 1485.04844974 1485.88326841 1485.99355377 1487.80859325 1493.24877462 1493.98732049 1501.65320160 1504.96274535 1512.19721594 1523.46662560 1721.04388318 1779.23595234 2917.00927354 2940.64564831 2979.57168331 3003.76343855 3006.61041989 3009.12534892 3010.46755603 3021.05973420 3021.12793411 3022.18540349 3030.67134340 3037.52754204 3043.65816032 3054.25842544 3060.56270858 3066.89246063 3084.05771278 3086.68288425 3097.73511664 3099.38331438 3103.69145942 3104.33658668 3108.74612989 3121.52203881 3137.16069486 3156.17749618 3176.67786437</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">5.01366728 3.00784055 3.77274986 2.98001640 2.92575171 3.32457758 4.08642201 4.28424722 3.29422290 2.38743869 4.15645666 2.01830835 3.05034579 2.60990372 2.39305505 2.44612981 2.10818030 1.84403979 1.88457864 2.57823499 1.35723869 1.68009134 1.92563706 2.22953785 2.85388265 2.38538594 2.58263385 2.66874577 2.55993249 2.20070134 1.96949047 2.16934536 1.47617547 1.29756909 2.99203092 1.40398647 1.66713978 1.40148625 1.68570587 2.31592543 1.97364806 2.26759530 1.83387954 1.76899626 1.40475235 1.32210253 1.75933784 2.33012520 1.71825521 1.72579596 1.69512648 1.79291479 1.76776160 2.05181468 2.16949623 2.06641289 1.86141194 1.87775594 1.81279090 1.87026174 2.09171379 3.30897955 1.44458461 1.36899563 1.24570573 1.23331737 1.19929883 1.18811755 1.19351485 1.19602052 1.24840357 1.36882192 1.27107806 1.35221025 1.38493174 1.44040506 1.33001497 1.48626672 1.38911823 1.45546908 1.26103546 1.32585576 1.09567141 1.12924448 1.10844344 1.10687191 1.06892715 1.11291600 1.08052726 1.07417421 1.08235100 1.05979839 1.06484507 1.06919050 1.08451886 1.97781655 1.13363617 9.44131446 8.99129333 1.08664664 1.07139321 1.06685846 1.05023414 1.06046189 1.05809311 1.06127532 1.04128709 1.04794440 1.06076555 1.06893599 1.09553704 1.07074129 1.10128660 1.09619081 1.09299370 1.10079683 1.10295782 1.10232965 1.10452738 1.10232060 1.10401144 1.09761809 1.10358118 1.10461942 1.10227410 1.08873977</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">-0.0116418516 0.0206602697 -0.0047455490 -0.0103215026 0.0394088427 -0.0325975442 -0.0114584784 0.0038333883 -0.0136062997 -0.0163369171 0.0360600408 0.0135240895 -0.0163192545 0.0001987849 0.0040674113 -0.0293320870 -0.0150029481 0.0192018346 -0.0058107935 -0.0143170334 -0.0149163012 -0.0154189941 0.0185860195 0.0168271409 -0.0191358752 0.0471835835 0.0530210534 -0.0263033490 -0.0087117757 0.0310313205 0.0066715632 0.0227964947 -0.0438333025 0.0642321313 0.0629300500 -0.0702993417 0.0017788196 0.0325160962 -0.0890365587 0.0506886907 0.0881906200 -0.1206693985 0.0792046061 -0.0017613377 0.0186698729 0.0250694657 -0.0304980804 0.0264205116 0.1350991614 0.0121943662 0.0345838121 0.0809215908 -0.0309797802 0.0665167496 0.0738919823 -0.0167839956 0.0966131337 0.0806164104 -0.0693133245 0.0680632363 0.0803037837 -0.0306205425 0.0685431099 0.0795711357 -0.0527268694 0.1031358317 0.0879587425 -0.0512482520 0.0326849700 0.0733791444 0.0270187039 0.0686724842 0.0609849183 0.0446996277 0.1012810970 0.0812340721 0.0478711083 0.0342350644 0.0719408591 0.0341649974 0.0708950075 -0.1135669528 -0.0595126672 -0.0373292784 0.1649834631 0.1400011282 -0.0614762556 0.1519767626 0.1493631155 -0.0603843127 -0.0058523519 0.0548825629 -0.0178505905 0.0462879377 0.1102944717 0.1802220715 0.0588908365 0.1841883027 0.3213697633 0.1887989826 0.1129533994 0.1220423429 -0.0672930605 0.0828748980 0.1757323914 -0.0196473269 0.0378110458 0.0788762713 -0.1643051762 0.0386698756 0.1393647279 0.0763787380 0.0677679774 0.0879975645 -0.0189688521 -0.0916995754 -0.0990315286 0.1521222651 -0.1047538842 -0.1381930692 -0.0449782574 -0.1534145538 -0.1855492874 -0.1614624124 -0.1170406929 -0.1124047053 -0.2072870591 -0.1586134899 -0.0742489330 0.0058796600 0.0829552607 -0.1390639616 0.0603712224 0.0394903094 -0.0161194669 0.0351193747 0.0275199991 -0.0126578681 0.0575098917 0.0679140549 -0.0095419912 0.0785152499 0.0367623119 -0.0197725293 0.0746552477 0.0207070542 -0.0222531624 0.1029920306 0.0345579426 -0.0249943634 0.0540583220 0.0240210533 -0.0179556803 0.0801148576 -0.0235747767 -0.0321944870 0.1028702046 -0.0290047708 -0.0382156019 0.0925448112 -0.0360608002 -0.0375019910 0.0200676378 -0.0548523972 -0.0275038646 -0.0117329658 -0.0753257443 -0.0316019865 -0.0294212229 -0.1096865543 -0.0391258547 0.0135706182 -0.0645536523 -0.0636883991 -0.0142205538 -0.0403423333 0.0027709085 0.0007454407 -0.0585748974 -0.0508579654 -0.0056263006 0.0400621237 0.0079008624 -0.0516432409 -0.0794868291 0.0970525371 -0.1364200688 -0.0570541575 0.2048739579 0.0052850704 -0.2041165300 0.1243694583 -0.0566960818 0.0116877179 0.0238793725 -0.0841233220 -0.0619724659 0.1476939691 0.0426603201 -0.0449815295 -0.1334094026 -0.1532652053 0.2740859681 -0.0080205645 -0.2494547216 0.3431334021 0.1525438461 -0.1293527189 0.3611571842 -0.1508714306 -0.1577318965 0.3262799317 -0.0493261200 0.0362207708 -0.0458973032 -0.0278533747 -0.0178604536 -0.0761514992 -0.0261024919 -0.0173325428 -0.0782376657 -0.0264915493 0.0442695105 -0.0462836832 -0.0293620316 0.0194621991 0.0604915207 0.0435698487 0.0078085904 0.0905727453 0.0437200801 0.0543902002 0.0385545001 0.0580729249 0.0269081524 0.0813042005 0.0514255071 -0.0184184265 0.0208446183 0.0138058387 -0.0547885740 0.0429195973 0.0009561350 -0.0231976038 0.0015119004 0.0063814958 -0.0050104803 -0.0219852109 0.0082625882 0.0283709187 -0.0370274191 0.0184567466 -0.0278682536 -0.0516466897 -0.0079054641 -0.0090305347 -0.0093737529 0.0085887927 -0.0017139590 0.0168960843 0.0235770194 -0.0475405205 -0.0387976457 -0.0066392143 -0.0426105975 0.0001713793 0.1142788850 -0.0811240516 -0.0109053933 0.1063164206 -0.0149218211 0.0060106253 0.2037936329 -0.1033337580 -0.0149208071 0.0979253834 0.0536520809 0.0265775141 0.0331491568 0.1051228623 0.0440009482 0.0403784541 0.1057495747 0.0450575529 0.0546738603 0.0224453360 0.0087312310 -0.0909101505 -0.0267245369 -0.0172880731 -0.1277126860 0.0945557396 0.0425630292 -0.1458208704 -0.0029788089 -0.0011033324 -0.1046355788 -0.0295744693 -0.0161190537 -0.1189573589 -0.0434533747 -0.0558816195 -0.1260987081 0.0072235479 -0.0074830623 -0.1515240923 -0.0347148363 0.0328074186 -0.0746604620 -0.0256489699 0.0362147686 -0.0780934858 -0.0010139530 0.0651269182 -0.0642307864 -0.0890858946 0.0280268389 -0.0273189039 -0.0162354031 0.0374990353 -0.0718100828 -0.1953004751 0.0383184199 -0.0745344228 -0.0970129779 -0.0017131188 0.1351286716 -0.1417736368 0.0097911248 0.1342636347 -0.1815139990 0.0046803360 0.2071352261 0.0560069524 -0.0603349316 0.2124862231 0.1467309107 -0.0666142918 0.1405582824 0.0947741000 -0.0752117776 0.2287870156 0.0471778772 -0.0864591530 0.3269638553 0.0706998535 0.0278206844 -0.1034279413 -0.0633961488 -0.0341146621 -0.1077141364 -0.0906099140 -0.0448717745 -0.1114289996 -0.0339153078 -0.0195893633 -0.0988530070 0.0603238169 -0.0535872999 0.1127524730 0.0758894111 -0.0752812763 0.1379351868 0.0773216173 -0.0741896649 0.1327069035 0.0160268993 -0.0173023217 0.1292738012 0.0775506673 -0.0431561621 0.0312694781 0.0670689477 -0.0201511897 0.0061736587 0.1181278679 -0.0850360235 0.0142771303 0.0574037383 -0.0064171114 0.0017064441 0.0531648377 -0.0186520750 0.0212415077 0.0782545143 -0.0045449252 -0.0430581823 0.0044803688 0.0406880285 0.0003011835 -0.0220863498 0.0731691051 0.0558275305 -0.0712397921 0.0007548232 -0.0553912329 0.0355193981 0.0991920766 -0.1784760405 0.0582407267 0.1169578391 -0.1928457586 0.0061026296 0.1021094943 -0.2680860637 0.1095887361 0.1394106518 -0.1334050615 -0.0514472746 0.0125401902 -0.0889274649 -0.0760540959 -0.0118822217 -0.0673053363 -0.1271398954 -0.0291216737 -0.1387077614 -0.0134764641 0.0015731611 0.0435617345 0.0623599843 0.0314705228 0.0877436262 -0.0805270852 -0.0579384098 0.1007749737 -0.0388202848 -0.0117299545 0.0343873349 -0.0316036508 -0.0072933607 0.0123909835 -0.0228495395 -0.0130215230 0.0137036379 -0.0304446707 -0.0064810780 0.0102073676 -0.0349231675 0.0038602386 -0.0033130788 -0.0250865724 0.0164367451 0.0094074266 -0.0422850468 -0.0146936916 -0.0059485646 -0.0390605911 0.0219186786 -0.0327605035 -0.0279505408 0.0096144206 -0.0625597008 -0.0511449310 0.0520060818 -0.0385397259 -0.0396198283 0.0171055869 -0.0193410589 -0.0416601148 0.0433591298 -0.0591023092 -0.0534822412 0.0412308106 0.0264621605 -0.0207859090 -0.0528235004 -0.0144675178 -0.0092513164 -0.0818821861 -0.0618232371 -0.0160335284 -0.0820301631 0.0311669140 -0.0219084065 -0.0503417198 -0.0091933769 -0.0804412299 -0.0469674088 0.0321624476 -0.0411495404 -0.0083162039 0.0227070896 0.0013987911 0.0296778248 0.0321866324 0.0198997922 0.0192670905 0.0433056472 0.1288025707 0.0220296189 0.1563745686 0.1012925178 0.0438550812 0.0909285403 0.1924603454 -0.1187773602 0.3090980564 0.1565819212 0.2067147650 0.2276419785 0.0504506167 -0.0718126467 -0.0492027650 -0.0342350466 0.0532365551 -0.1731691741 0.0543091715 -0.2343624088 -0.1132460205 0.0710160191 -0.1156881843 -0.0256600262 0.1305516103 -0.1871460380 0.0648639013 0.0349891396 -0.1927300660 -0.1227807677 0.0526254273 0.0315690602 -0.0062722061 0.0227909659 0.0797635451 0.0695601509 0.0235417416 0.0571579896 -0.0850708830 0.0668956459 0.0156213252 0.0736348068 0.0415168870 0.0003221042 0.0822832021 0.0670881431 0.0438155694 0.0889427244 0.0759709194 0.0015318394 0.0570432779 0.0882588160 0.0201134096 0.0558295491 0.1164088817 0.0417533684 0.0407115446 0.0801142175 0.0350979053 0.0736931736 0.0881519909 -0.0241960326 0.0259804152 0.1018307714 -0.0279036319 0.0217895997 0.1126391905 -0.0377895503 0.0133162358 0.0010841859 -0.0682232517 0.0090741782 0.0214922109 -0.0421916789 0.0228872672 0.0100633999 -0.0399183778 0.0199448773 0.0616033330 -0.0536660588 0.0286726653 0.0157417839 0.0202606328 0.0403641593 0.0462128493 0.0960677812 0.1535591879 0.0455981542 -0.0857953018 0.0450566499 -0.0698280844 0.1295430635 -0.0978072171 -0.0662740831 0.0430796557 -0.2440723517 -0.1369150885 0.2531462433 -0.1300595270 -0.0828146099 0.1990530733 -0.0237455803 -0.1555353934 0.3146279693 -0.1743338949 -0.0921390276 0.3189581178 0.1604516293 0.0069653512 -0.0247965018 0.0073282145 0.0125095989 -0.1601483815 -0.1795899501 0.0897425908 -0.1416669162 0.1780722764 -0.0106601327 0.0483523159 0.0457734552 -0.0257372523 -0.0851400221 0.0097561764 0.0028870835 -0.0642390187 0.0079962515 0.0278130452 -0.0518063806 0.0116815394 0.0424340950 -0.0430239826 0.0162837861 -0.0115556359 0.0961885628 -0.0273211668 -0.0306958465 0.1595408553 -0.0086432221 0.0484985188 0.0894334505 -0.0415081008 -0.0020144161 0.0858457539 -0.0314769105 -0.0764909142 0.0322087763 -0.0284467830 -0.1292464006 0.0485749942 -0.0269780384 -0.0994609577 0.0326731095 -0.0278981153 -0.0465458039 -0.0542707541 -0.0288202468 0.0088739107 -0.0700511212 -0.0251677009 -0.0897822545 -0.0986823076 -0.0310134583 -0.0266126141 -0.0608244708 -0.0271208869 -0.0074184299 -0.0522601758 -0.0387902577 -0.0146531212 -0.0566611136 -0.0149737097 -0.0241884799 -0.0034601582 0.1550363353 -0.0527257046 -0.0366147507 0.1916752517 0.0104611874 0.0025095752 0.2660706539 -0.1101672396 -0.0652448285 0.0847396986 0.0784313743 0.1161549963 0.0444706299 0.1274749905 0.1746804345 -0.0139153323 0.1453034005 0.1876848813 0.1290887696 0.0434438476 0.0775054371 -0.1111486038 -0.0150773755 0.0126416549 -0.2009315243 0.1174635512 0.1750769465 -0.1806990972 -0.0398966058 0.0352434337 -0.0125520674 -0.0402288283 0.0231830908 0.1238564718 -0.0699082450 0.0990607063 0.1223333445 -0.0643917184 0.0012358914 0.1788307387 -0.0314643300 -0.0412649305 0.1386612150 -0.0697978519 -0.0383671200 0.1888630116 -0.0184644045 -0.1068933181 0.1404183933 0.0098011065 -0.0236070138 0.0758672021 -0.0285878190 -0.0408693118 0.0787057350 0.0765493053 0.0009702294 0.1048820833 0.0163460475 -0.0151128077 -0.0336302524 0.0540630633 -0.0021147262 -0.0679274183 0.0631517089 -0.0014968633 -0.0481438237 -0.0831069079 -0.0360247694 -0.0884505640 -0.1421952245 -0.0585258744 -0.0774966998 -0.1080826185 -0.0516604872 -0.0585324773 -0.0773710367 -0.0136609278 -0.1713763644 -0.1107864316 0.0619590599 -0.0160876026 0.0165111926 0.0208793795 0.0416076549 0.0858791627 -0.0060053665 0.0416339338 -0.0059838800 0.0154876381 -0.0641039198 0.0573580931 -0.0726062825 0.0112194639 0.0668384446 -0.0664094897 0.0524016172 0.1084377056 -0.0964777040 0.0225397079 0.0066027481 -0.0388196556 0.0273636850 0.0458644354 -0.0907153386 -0.0793807388 0.0214828675 -0.0492836404 -0.1221084079 0.0656401899 -0.1504537625 -0.1033925526 0.0423199543 -0.0830913584 -0.0794670902 0.0539441626 -0.1102747945 -0.0394560424 0.0414842514 -0.1044669116 -0.1295768383 0.0241745856 -0.0039923139 -0.0675007446 0.0090994074 0.0163590344 -0.0281941776 0.0471708169 0.0488886888 -0.1078481889 0.1721563163 0.0437970798 -0.0789489124 0.1876240645 0.0052012202 -0.0011173547 0.1449031017 0.0763903243 -0.1450382984 0.2372011856 -0.0019615470 -0.1336344668 0.0845446239 0.1050839023 -0.0267799730 0.0349024184 0.1237773272 -0.0891457258 0.0380903956 0.1305178083 0.0056534709 0.1096042341 0.1043149494 0.0612371506 0.1560136241 0.1311507993 0.0999653420 0.0682289983 0.0574042203 0.0995621257 0.0125903742 0.0494898428 0.0179551769 -0.0511133884 0.0206923381 -0.0415856574 -0.0429799256 -0.0009541517 -0.0413883513 -0.0588276686 0.0316587272 -0.0610859395 -0.0519291947 0.0195442559 -0.0452582251 -0.0493261608 0.0141456618 -0.0585896914 -0.0547991758 0.0355091840 -0.0456041278 -0.0557082365 0.0116006194 -0.0277983726 -0.0383367244 0.0185229693 -0.0303255335 -0.0755440044 0.0083725341 -0.0364402634 -0.0573550135 -0.0008117672 0.0030929410 -0.0613863182 -0.0047614398 0.0107071142 -0.0753231631 -0.0064520505 0.0080862515 -0.0318256605 -0.0021811110 0.0168733289 -0.0124731582 0.0048952488 0.0129055265 -0.0315108968 0.0013681366 0.0110749507 -0.0320244283 -0.0141153340 0.0368685559 -0.0127422259 0.0141817184 0.0174798252 -0.0409993456 0.0455036950 -0.0096813722 -0.0296298885 0.0759266222 -0.0040207958 0.1257643190 0.1277882733 0.0428060999 -0.0799829751 -0.2399189650 -0.0318457006 -0.0388755175 -0.3191153159 0.0040413443 -0.1643438445 -0.1539005444 -0.1068749587 -0.1229944729 -0.3312095147 -0.0667241791 0.0356484574 -0.1193315769 0.0639655541 0.1283315795 -0.2063811295 0.1359091049 0.0781368233 -0.0295977222 0.0985230864 -0.0155218986 0.0016582723 0.0258881180 -0.0922864997 0.0524263080 -0.0240426642 0.0588153288 0.0890432369 0.0565457241 -0.0581524818 -0.0530604564 0.0131474491 -0.1002747794 -0.1169135759 -0.0005664557 -0.0199774390 -0.0233669165 0.0276944593 0.0492123316 -0.1687856957 0.0463822390 0.1167996506 -0.1863532623 0.1201538214 0.0513967754 -0.2040406609 0.0315628957 0.0177841766 -0.2287562090 -0.0228795492 -0.0038040919 -0.0130023793 0.0463661627 -0.0824860264 -0.0020707334 -0.0236493574 0.0501291539 0.0365778924 0.1050269952 -0.0201512006 0.0699691645 0.0473464273 -0.0671377607 0.0717059465 0.0490425339 -0.0252072774 0.0991520082 0.0445861183 -0.0386968639 0.0611147920 0.0077973693 -0.0896683422 0.0309709682 -0.0501843908 -0.0647915391 0.0074985228 -0.0459827560 -0.1005329563 0.0410764387 -0.0651465240 -0.0971061269 0.0317023761 -0.0831189048 -0.0867026765 0.0003559869 -0.1569876393 -0.1290379758 0.1025211171 -0.0895311786 -0.0720423771 -0.0207577679 -0.0064976787 -0.0424377278 0.0245755908 0.0442322948 -0.0755645211 -0.0701610012 -0.0070158553 -0.0684742357 -0.0765583612 0.0099281035 -0.0373868153 -0.1174821880 0.0611157150 -0.1017111347 -0.1243102536 -0.0362422839 -0.0638766428 -0.0293817749 0.0164954157 -0.0295596978 0.0229729831 0.0632495787 -0.1030544151 0.0083553014 -0.0363103567 -0.0558303074 -0.0819111704 0.0274252399 -0.0343627192 0.0372110480 0.0064032075 -0.1053090818 0.0382247646 -0.0151204470 -0.0929090734 0.0688546469 -0.0089022052 0.0286589091 0.1055160344 0.0326841088 0.1290293155 0.1795207087 -0.0397902959 0.0910546509 0.2814528855 -0.0336599714 0.2024296615 0.1762687303 -0.0636250360 0.1772199468 0.1463255946 -0.0538734532 0.0270749800 0.0832058764 -0.0036411377 -0.0358258848 0.1036450010 -0.0026442575 -0.0325602333 0.0925223455 0.0016124263 0.0754552012 -0.0443281409 0.0238806053 0.1307991328 -0.0605253025 0.0265969667 0.0026746959 -0.1034913957 0.0569402511 0.1480867371 -0.0817004713 0.0185279195 0.1124765657 -0.1883186144 -0.0571368651 0.1789943713 -0.0979084676 0.0826200591 0.0245004451 -0.1315034636 -0.0278316169 0.0690525671 -0.0673112500 -0.1061234475 0.0341555495 -0.2197287845 -0.0458281098 -0.0229640005 -0.0647513022 0.0509898130 0.0013931081 -0.1853003479 0.0035915968 -0.0727887546 -0.2772972973 0.0977106658 0.0718868724 -0.2560145945 -0.0837490843 -0.0201749344 -0.0185666028 0.0411253145 -0.0969127075 0.0165122142 0.0853962515 -0.0558526791 -0.0059676685 0.0611735191 0.0836486222 0.0484441946 -0.0278014494 -0.0330407095 -0.0033643743 0.0014346822 -0.1064212073 -0.0042844120 -0.0183537455 -0.0327804734 0.0103694972 -0.0257026844 -0.0231197741 -0.0456769175 0.1117325491 -0.0723196064 -0.0338283851 0.1930080183 0.0563611915 -0.1015952697 0.1324906523 -0.0585275180 -0.0145972521 0.0736288815 -0.1165526843 -0.0527718512 0.0589489615 -0.0270880524 -0.0034178053 0.0864252831 -0.0643659838 0.0651954675 0.0028248685 -0.0875039422 0.1517544774 -0.1219551559 0.0023503869 0.1593094678 0.0928958453 -0.1281247402 -0.0742931702 -0.0418031143 -0.2517315765 -0.2276040662 -0.1629221551 -0.0384905167 -0.1843447487 0.1178420680 -0.1462216925 0.0763531454 -0.1174571430 0.1203663927 0.0413795200 -0.0248453394 0.0369814798 0.0326531801 -0.0338852127 0.0421225939 0.0141833249 -0.0365146838 0.0944258189 0.0736859139 -0.0002086250 -0.0002069552 -0.0067549757 0.0836322351 0.0230994172 -0.0563147480 0.0972580156 -0.0119025019 -0.0275634390 0.1135721718 -0.0515866769 0.0363387757 0.1027549302 0.0423257205 0.0297652471 0.0013346359 0.0410545681 0.0371415293 -0.0072598413 0.1051864457 0.0031272387 -0.0105772770 0.0093027574 0.0862260597 -0.0512653845 -0.0083507690 0.1028297284 -0.0716315065 0.0473933457 0.1225168689 -0.0584954525 -0.0348033855 0.0615290702 -0.0596523366 -0.0450559434 0.0515009629 -0.0554305367 -0.0317902693 0.0691989332 -0.0641559514 -0.0469650473 0.1496090096 -0.0012670754 -0.0771500255 0.1677641506 -0.0535768867 -0.0549772936 0.1677088315 -0.0163978545 -0.0099492790 0.1953520439 0.0516004210 -0.0341265225 0.0347754575 0.0191891314 0.0097849886 0.0219368348 0.0683280688 -0.0803492761 -0.0062028882 -0.0296790781 -0.0175288790 -0.0205412155 0.0404756366 0.0302360296 0.0092696852 0.0820312069 -0.0140886505 -0.0945208049 0.0543717351 -0.0096115719 -0.0158293898 -0.0315374780 0.0073138940 -0.0003990186 -0.0542642809 -0.0395771246 -0.0391827364 -0.0703854278 0.0244487036 0.0189525565 -0.1016432216 0.0091840334 -0.0041254645 0.0233125863 -0.0085434221 -0.0215818431 0.0102708132 0.0512141513 0.0382644480 0.0369286068 -0.0225552565 -0.0283682158 0.0817895749 -0.0836239660 -0.0242243741 0.1395249532 0.0182669940 -0.0973416514 0.1010817804 -0.0264146664 0.0370222939 0.0133038667 -0.0403113485 0.1056843142 -0.0873861315 0.0328416673 0.1117067433 0.0800328253 -0.0913295129 -0.0774540559 -0.0300961630 -0.2238308030 -0.2284587827 -0.1420480929 0.0085584065 -0.1819045291 0.1189247570 -0.1116649676 0.0835381857 -0.1031930283 -0.0120895855 -0.0534145465 -0.0286287936 0.0343739234 0.0234639361 -0.0489274976 0.0188700459 0.0273616950 -0.0487906669 -0.0641161606 -0.0195197424 0.0009158691 0.0670039058 -0.0063155040 -0.1278575209 0.0799552473 0.0299234342 -0.0342635947 0.0551681005 0.1396064202 -0.3070531522 0.0511465108 -0.2162868101 -0.2093973243 0.0918122161 0.0353216685 0.0921597530 0.1158381251 -0.0979096974 0.2515544026 0.0955262449 0.2320042803 0.1700441949 0.0834322656 -0.0047209499 0.0181020705 0.1268533914 -0.0026088409 -0.0018826583 0.0768840183 -0.0185132011 0.0010931851 0.0302040214 -0.0217720749 0.0092338214 0.0150299899 -0.0220951790 0.0280383462 0.0288320816 -0.0107693403 -0.0083146630 0.0397594839 -0.1594116058 0.0011876658 0.0601006511 -0.1725115564 0.0400523366 0.0480175292 -0.1788043724 0.0173694328 0.0049108643 -0.1885949186 -0.0327423700 0.0309851205 -0.0784802736 -0.0144423946 -0.0111892151 -0.0817716350 -0.0365725863 0.0868475159 -0.0569388158 0.0084557590 0.0147993149 -0.0030966094 -0.0207756712 -0.0344483391 -0.0114098235 -0.0329296147 -0.0023291037 0.0540877253 -0.0205847953 -0.0604220858 -0.0350391544 -0.0121163776 -0.0104563743 -0.0162628665 0.0080933165 -0.0163416715 0.0126405115 0.0082112737 -0.0361632381 -0.0202343281 0.0271380786 -0.0051665839 -0.0492673011 0.0040957482 -0.0246317792 -0.0248565749 0.0729169018 0.0115839925 -0.1282923474 0.0059103870 -0.0070782790 -0.0043791323 -0.0742919497 0.0241872682 -0.0347550090 -0.1508288858 -0.0490197958 0.0693400721 -0.0931474829 -0.0101860001 -0.0142720823 -0.0159014936 -0.0275927003 -0.0413669522 0.0324374690 -0.0348599782 -0.0410398967 -0.0374836107 0.0415432827 0.0504662901 0.0166265355 0.1122224573 0.1257168555 0.0693150627 0.0058245532 0.1040336718 -0.0627550406 0.0486091361 -0.0241108541 0.0699252202 -0.2727576845 -0.1331838783 -0.0172546995 0.0331162753 0.0081000057 -0.0066295937 0.1394691433 0.0642407074 0.0100571623 0.0964466190 0.0362515141 -0.0144925209 0.0151148019 -0.0013750142 -0.0637642527 0.0637972825 0.0178043181 0.1312385194 0.0393908802 0.1779654471 -0.2988971376 -0.1073581287 -0.2479844740 -0.1541391408 0.0739602344 0.0702805306 0.1077618030 0.0946066916 -0.0667689499 0.2728096340 0.1193665166 0.2612123153 0.1826884458 0.0511440285 0.0546452790 0.0081045474 0.1058622586 0.0361989045 0.0181679828 0.0521276759 0.0308571615 -0.0495438926 -0.0158112168 0.0976457760 0.0113356587 -0.0053685986 0.1745895260 0.0733576326 -0.0674025212 0.0907259313 -0.0535843692 -0.0455101709 0.1084880944 0.0076365360 -0.0472473512 0.1978039789 -0.1476436896 -0.0276806158 0.0286193607 0.0185095363 -0.0929783537 0.2271595311 0.1473979072 -0.0029769809 -0.0677802688 0.0207786632 0.0099370150 -0.1547991013 0.1647142909 0.0286817328 -0.1693506627 -0.1038772004 -0.0160794502 -0.0033443282 0.0185833781 -0.0487804784 0.0166672031 0.0440885768 -0.0193482651 -0.0123288651 0.0217244271 0.0248606074 0.0304325744 -0.0149777461 -0.0571174386 -0.0080694779 0.0587336509 -0.0802941905 0.0688293776 0.0588747355 -0.1011391452 -0.0238583017 0.1113938596 -0.0429601265 -0.0978564272 0.0838863877 -0.1113689316 -0.0438974833 0.2682449953 0.0174490791 -0.3035023680 0.0933882955 -0.0285728477 0.0048327714 -0.1101776899 0.0391538395 -0.0646763388 -0.2817922964 -0.0997970936 0.1890665340 -0.1456836084 -0.0307205294 -0.0365606133 -0.0253844347 -0.0378172269 -0.0920267645 0.0629385654 -0.0809090505 -0.0949593940 -0.0746644011 0.0450076434 0.0770332544 0.0237687979 0.1967437806 0.2434930348 0.1433783950 -0.0687542997 0.1907954930 -0.1376406799 0.0683845417 -0.1059150520 0.1051654735 0.0531460343 0.0477993284 -0.0126529104 0.0030937257 0.0078497346 0.0018531922 0.0076405722 -0.0287033968 -0.0040323663 0.0151420810 0.0315234140 -0.0095416812 0.0409955003 0.0040799855 -0.0525554797 0.0318087906 0.0293510041 -0.0506787543 0.0388897821 0.0324311982 -0.0876683817 0.0682136562 -0.0437123303 -0.0725247570 0.0275465833 -0.0034195285 0.0176229764 0.0223129626 -0.0380010920 0.0639657608 0.0213952139 0.0546599729 0.0407416012 0.0304840451 -0.0357636194 -0.0076994209 0.0614367750 -0.0429127917 -0.0087433423 0.0190584558 -0.0543720086 -0.0263852078 0.0023100005 -0.0284413294 -0.0110440123 -0.0207272031 -0.0432997820 0.0025762010 0.0212309020 0.0001382794 -0.0231040292 -0.0059768862 0.0182146789 0.0135237473 0.0270176764 0.1415683795 -0.1745472098 0.0364306812 -0.1376025127 0.0590085800 -0.1364694525 0.1575938203 0.1787597285 0.0583017310 -0.1331545152 0.0020915778 0.0400687599 -0.2541964431 0.1785741841 0.1685768658 -0.2490594587 -0.1427376622 0.0145682671 0.0207067125 -0.0432720377 -0.0903560906 0.0199129889 -0.0483034471 0.0180099662 0.0863533732 -0.0601028145 0.0084916643 0.0356319146 -0.0387417858 0.0180331093 0.0391620163 -0.0165257434 0.0225951071 0.0232908914 -0.0162822557 0.0484182874 0.0349447581 -0.0216730720 0.0121704603 0.0834409528 -0.0304400480 0.0434672341 0.0520144469 -0.1273365821 -0.0239789263 0.1848713810 -0.0369110899 0.0312415516 0.0244425169 0.0653166449 0.0139449046 0.0709660492 0.1566672715 0.0762129506 -0.0618259023 0.0870047855 0.0389505405 0.0059128711 0.0120882839 0.0728509746 0.0128978462 -0.0115166283 0.0461175142 0.0092475652 0.0117286017 -0.0066997793 -0.0360030078 -0.0158949459 -0.0505410156 -0.0783600602 -0.0427499250 0.0026769638 -0.0672731091 0.0328086120 -0.0084377525 0.0018622496 -0.0592438797 -0.0246087501 0.0381837124 -0.0403668027 -0.0107605193 0.0133835247 -0.0202159063 -0.0130995742 -0.0020597209 -0.0238887326 0.1014827645 0.0752792168 -0.0534184014 -0.0256993459 0.0250498587 -0.1050507817 -0.0759605417 0.0863383476 -0.1964862633 -0.0259724462 -0.0040205377 -0.0685366157 0.1005002688 0.0434665097 -0.1026857718 -0.1081723782 -0.0527425362 -0.0324059803 -0.1208462718 -0.0220191611 -0.0667314513 -0.2134815327 -0.0711100015 -0.0376227905 -0.0417277864 -0.1618505751 0.0624295492 0.0508716091 -0.2269449977 0.1336567904 -0.1237479406 -0.2714629380 -0.0009162989 -0.0224524073 -0.0297886094 0.0862573709 -0.0381997173 0.0289812463 0.1634375808 -0.0255778998 0.0172926227 0.0190422860 -0.0230402199 0.1127720366 0.0333903571 -0.0296676941 0.2073793081 -0.1372418297 0.0022067605 0.0262304298 0.0631892215 -0.0885583228 0.2361810712 0.1790227130 0.0397386073 -0.0704772404 0.0317954696 0.0678482061 -0.1546710504 0.1815660467 0.0778838523 -0.1730997110 -0.0962270710 0.0183999982 -0.0110743085 -0.0005285178 -0.0242035569 0.0060643777 0.0214563914 0.0322286043 -0.0143810431 -0.0090366736 -0.0409465245 -0.0180080789 -0.0475522425 0.0022648875 0.0100172906 -0.0035719696 -0.0043462805 0.0403018914 -0.0032886843 0.0060076798 -0.0037232075 0.0228262750 0.0005739432 0.0117183368 -0.0025934534 0.0010473892 0.0064543945 -0.0139123194 -0.0007228943 0.0245021208 -0.0023060487 0.0047914741 0.0012401040 0.0134621483 0.0024535485 0.0103213622 0.0300834045 0.0140399065 -0.0155590563 0.0184269761 0.0064389093 -0.0047512621 0.0024777124 0.0158896882 -0.0069500349 0.0022615253 0.0071670122 -0.0080607091 -0.0030973681 -0.0063039397 -0.0067203766 -0.0044760469 -0.0140515120 -0.0096475753 -0.0029857542 -0.0092873437 -0.0086368660 -0.0006122306 -0.0056882263 -0.0037365396 -0.0149435522 -0.1511127754 -0.0696500494 -0.0520291349 0.0074156471 -0.0034962465 -0.0353177963 0.0634051354 0.0087720590 -0.0296544029 0.0413966864 0.0264933636 -0.0409218038 -0.0447321042 -0.0322293881 0.0872049033 -0.0701443465 -0.1635355444 -0.1762402962 -0.2086869551 -0.1832277906 0.3390987118 0.0993903524 0.2077432694 0.1726681599 0.0105690195 0.0148854786 -0.0164934747 0.0739264018 0.0819339130 -0.1283617819 0.0020578559 -0.1115739109 -0.0663563240 -0.0130820349 0.1421217023 0.0601090288 -0.1460939765 0.2185777986 -0.0088790321 0.0436923328 0.2536853028 0.1899715417 0.0651177678 -0.0039414648 0.0438143066 0.0905988309 -0.0879987863 -0.0715085254 0.0716807388 -0.0812551364 0.1570860464 -0.0084324165 0.0533372336 -0.0055530831 -0.0256528855 0.1109894826 -0.1179355018 0.0079846011 0.0037381381 0.0180520100 -0.0485307895 0.1374037012 0.0934015491 0.0376718106 -0.0716693902 -0.0085699633 0.0553278402 -0.1324089599 0.0975019325 0.0715813343 -0.1405210448 -0.0937639191 0.0219775745 -0.0310213995 -0.0280828436 -0.0073015190 -0.0505903169 -0.0548417272 0.0243676328 0.0116150962 -0.0396036544 -0.0153822557 -0.0343209113 0.0393384259 0.0025180385 -0.0050294698 0.0935151051 0.0853795117 0.0315898225 0.1182868892 0.0517871962 -0.0482822367 0.1608816491 -0.0327415475 0.1442873236 -0.0567280599 0.1045401394 0.1323086753 -0.2385627147 -0.1814479645 0.3016621370 -0.0924531423 -0.0026683606 0.0830636642 0.0432392021 0.0271213113 0.1523003693 0.1338326815 0.0312437826 0.0066596172 0.0593900411 0.0132146080 -0.0288456791 0.0104275238 0.1147265685 -0.0783178319 0.0483666015 -0.0467380540 -0.0970103753 -0.0463289262 -0.0239930547 -0.0371769784 -0.0092603994 0.0967799652 0.0893376856 0.0773415560 -0.2134875117 0.0311442471 -0.0823903306 0.0155762124 -0.2402072565 -0.0369392652 0.0058962995 0.0167427733 0.0373818906 -0.0989226646 -0.0993836971 0.0688420581 -0.0497107807 -0.1009899625 0.0712184651 0.0418754307 -0.0393064269 0.0016148263 0.0293801809 -0.0013647982 0.0204778277 0.0694917683 0.0390727741 0.2134999011 0.1131101109 0.1048796784 -0.1449139860 -0.1098018316 -0.1541811871 -0.0335536447 0.0493199833 0.0218244827 0.0534225717 0.0159966583 -0.0532374987 0.1632198110 0.1308722948 0.1328008453 0.0961419829 0.0133131520 0.0189395542 -0.0742909249 0.0223893043 0.0229080783 -0.0895451062 0.0407386135 0.0362061011 -0.0966511430 -0.0339026815 -0.0030892629 -0.0864618215 -0.0318137316 0.0023220471 -0.0900857073 -0.0703694902 -0.0413390103 -0.0910003965 -0.0863581415 0.0373036513 0.0146064965 -0.0804112173 0.1065306409 -0.1015842773 -0.0396542484 -0.0670991708 0.1023800977 -0.2200908613 0.1057837598 0.0975363337 0.0055518220 -0.0147341363 -0.0417086146 0.0266485307 -0.0504268661 0.0282272734 0.0680703317 -0.0453564764 -0.0809529603 -0.0138078797 0.0304573142 -0.0907378299 -0.0732763166 -0.0357778661 -0.1831473463 -0.0329399607 0.1780295551 -0.1095331682 0.0260008019 0.0228871859 0.1042068034 0.0227095404 -0.0547037087 -0.0070688410 0.1167108501 -0.1093425110 0.0143128577 -0.0641122749 -0.0177522412 -0.0443091543 0.0234750040 -0.0860442945 -0.1313540958 0.0658029157 -0.1104931477 -0.2299251890 -0.0562999954 0.0031558863 -0.1513993918 -0.0212073522 -0.1117797454 -0.0614494817 -0.0776250708 -0.1166206345 -0.0212498213 -0.0473877296 -0.1875895880 -0.0703896865 -0.0476230716 0.0360861683 0.0030847799 -0.1904931784 0.1014991912 -0.0438973075 0.0199774484 0.1253851855 0.0854503823 0.0166594711 0.0297111570 0.0386573706 -0.1791984084 -0.1894991938 -0.1212116348 0.3239680426 -0.0949140909 0.1789088948 -0.0481622116 0.3627253946 0.0822880409 -0.0375792569 0.0744087874 0.0992965058 0.0353781966 0.0203891587 0.1107187873 0.0226512199 0.0604131516 0.1164394294 0.0686523755 0.0029028734 0.0231321630 0.0101988516 -0.0018994777 0.0022930939 0.0176444808 0.0064109132 0.0388287570 0.0280487704 0.0166380505 -0.0278576904 -0.0170804003 -0.0289352427 -0.0071215334 0.0132122234 0.0018836104 0.0056307601 0.0081920604 -0.0101882802 0.0232693441 0.0288721233 0.0197182822 0.0122427888 0.0049688828 0.0054339799 -0.0158418557 0.0029401179 0.0073106045 -0.0187793862 0.0137575280 0.0128273594 -0.0190972321 0.0007500871 0.0015038115 -0.0163663924 -0.0023767816 -0.0201079198 -0.0296365305 0.0481742841 0.0439860562 -0.0061089783 0.0158998675 -0.0359045484 0.0051801569 0.0503848567 -0.0210046612 0.0045400881 0.0265086090 -0.0807754274 0.0116143442 -0.0259031821 -0.0404815669 0.0006240007 0.0094746770 0.0099450737 -0.0028766114 0.0086974168 0.0331573493 -0.0398491220 0.0041184776 0.0365603114 0.0294964650 0.0086608476 -0.0119091150 -0.0180887211 0.0124247732 -0.0318958760 -0.0448844395 0.0187145805 0.0096224870 -0.0293653301 -0.0018758725 -0.0201375319 0.0244940370 0.0071132813 -0.0114456041 0.0232934040 0.0267484808 -0.0024612570 0.0287976922 0.0050209568 -0.0171971696 0.0355093056 0.0005079420 0.0126473810 -0.0092553069 0.0285842593 0.0145359537 -0.0384394803 -0.0280421486 0.0373724809 -0.0162701618 -0.0039281694 0.0087695624 0.0028893445 -0.0034634529 0.0142059186 0.0118641398 -0.0031386947 -0.0016986837 0.0034125963 -0.0037637170 0.0018963158 0.0029708267 0.0046156252 -0.0003206632 0.0031623705 -0.0098699395 -0.0022554678 0.0012363833 -0.0072540854 -0.0051436891 0.0011162097 0.0215061302 0.0202711527 0.0153674245 -0.0472546281 0.0074707352 -0.0114912935 0.0010823742 -0.0496254926 -0.0023595893 -0.0057639871 -0.0110337741 0.0235943005 0.0005291904 -0.0163338935 0.0239388970 0.0321033969 0.0034287254 0.0293234854 -0.0121024206 -0.0391506636 0.0079202807 0.1050128737 0.0327727635 -0.0937690677 -0.0059714665 -0.0431115986 -0.5797820753 -0.1392090682 -0.1608910003 0.2427171822 0.5114040290 0.3046404627 -0.0051128564 0.0768611170 0.0130979073 -0.0307937053 0.1272104204 0.0413848549 -0.0883038886 0.0174959110 -0.0290158102 -0.0463810321 0.0569672842 0.0755228978 0.0138127096 0.0004287169 0.0968109352 0.0003882670 0.1116163036 0.1273959710 0.0035163440 -0.0596718170 0.0426032442 0.0012294486 -0.1791779054 -0.0441376404 0.0432800647 -0.0539208804 0.0832479235 -0.0412799851 -0.0745582734 0.0009360718 0.0101835972 -0.0883834813 0.0061982319 -0.0086477950 -0.0458291848 -0.0239693878 0.0864657458 -0.1503411978 -0.0034672448 0.0069012371 -0.0081476530 0.0266864050 -0.0454893802 0.0184435022 0.0478526522 -0.0600269465 -0.0000445397 0.0504361475 -0.0163056153 -0.0024559133 0.0081088774 -0.0565808023 -0.0062861189 -0.0305525280 -0.1101456055 -0.0330966690 0.0904545612 -0.0523631002 0.0547777647 -0.0036085194 0.0523677721 0.0545100836 -0.0263139050 -0.0855115523 0.0073337194 -0.1726435287 -0.1098961213 0.0776383055 0.0387965486 -0.2312812654 0.0413723014 0.0080725593 0.0067740655 0.0513191060 0.0372109819 0.0529432743 0.0942358120 -0.0038687357 0.0226802623 -0.0468442531 0.0420015532 -0.0030317746 -0.0332269684 0.0155186627 -0.0560859426 -0.0936977773 0.0660855448 -0.0245625831 -0.0523160709 0.0036283402 0.0133809404 0.0137260286 -0.0074181963 0.0054099438 -0.0903826430 -0.0237963074 0.0007771057 -0.1014214334 -0.0503572224 -0.0130547586 0.1846231618 0.2221417566 0.1558488183 -0.5184571527 0.0920984543 -0.1605368204 -0.0136490319 -0.5099952280 -0.0595746015 0.0055442104 -0.0270255655 0.0528947384 0.1029266010 0.0569528642 0.0149025732 0.0758481387 0.1111620059 0.0230572514 0.0509599596 -0.0110589629 0.0273080848 -0.0205559737 -0.0053965701 0.0040464884 -0.0160934223 -0.0207960206 -0.0013263818 -0.0299470144 -0.0114624498 0.0151834831 -0.0280200618 0.0072156186 0.0094990586 -0.0122650415 0.0011428711 -0.0077909610 -0.0055073240 0.0111082329 -0.0232949825 -0.0210095122 -0.0163632263 -0.0148496442 -0.0033070723 -0.0029298576 0.0125442291 0.0075353849 -0.0042944176 0.0130681523 -0.0136497793 -0.0111465247 0.0174265813 0.0129254167 -0.0014633084 0.0172075142 0.0224664482 -0.0051583584 0.0108849954 0.0627539859 0.0456221161 0.0271727422 0.0923829245 -0.0196462039 -0.0158905815 0.3412117428 0.1684118505 -0.1693278479 0.1444561139 -0.3815357443 -0.0545764302 -0.1466870773 0.1093030911 0.1397251947 0.0164789034 0.0137961548 0.0293644081 -0.0299185746 -0.0046931235 0.0261192004 0.0432468250 0.0033057514 0.0158002535 0.0014119551 0.0164783124 -0.0012635323 -0.0048846270 0.0038874468 -0.0192801350 0.0494742827 0.0086491711 -0.0321990984 -0.0185833783 0.0111864749 0.0076068409 0.0084774072 0.0070866286 -0.0140906240 0.0106213070 -0.0189458515 -0.0150010443 -0.0062306678 0.0224943226 -0.0393523042 0.0093199149 -0.0116048228 -0.0122368993 0.0052092182 -0.0136557626 -0.0111888422 0.0109711481 -0.0098905379 -0.0115575633 -0.0078416018 -0.0101137243 -0.0081950577 -0.0164007678 -0.0177468117 -0.0131555030 -0.0190985202 -0.0143517705 -0.0129667632 -0.0132248524 0.0056024618 0.0025110975 -0.0216297345 0.0136335472 -0.0065921643 -0.0089161198 0.0141247926 0.0120517042 -0.0148006862 -0.0054644969 0.0021336026 0.0232448791 0.0267003015 0.0190855881 -0.0666473215 0.0103025048 -0.0131930853 -0.0039118554 -0.0636921686 -0.0014008183 -0.0086357328 0.0447206522 0.0100605866 0.0257861652 0.0326473542 0.0147673827 -0.0298144689 0.0120288659 0.0078413282 -0.0880119109 -0.0285370685 -0.0082902085 -0.0120183250 -0.0132596988 0.0103883872 -0.0898706387 -0.0737587907 -0.3421146723 -0.2180391672 -0.1134211029 0.2137920930 0.2818548906 0.1375668083 0.0536721905 -0.0187376970 -0.0089758377 0.1245519119 -0.0572026334 -0.1060636287 0.2649180556 0.0425845695 0.1403855793 0.1826595700 -0.0350169919 -0.0619226178 -0.0291226805 0.0438077423 -0.0695372080 -0.0474244090 -0.0422892706 -0.0887426294 -0.0748418398 -0.0396336742 -0.0456049705 -0.0403119212 0.0893537469 0.0743589110 -0.0568685896 -0.0479416239 -0.0625604845 -0.0330502926 -0.1560466930 -0.0081701333 0.0255240376 -0.2705351038 -0.0956879881 0.0952313123 -0.1365852810 0.1153702992 0.1555507261 -0.1668425192 -0.0952930718 -0.0752217239 -0.0453313922 0.0554849756 -0.0692600912 -0.0004798739 0.1110840789 -0.1240566130 -0.0811894525 0.1137819304 0.0041040539 -0.0073427191 0.0308575064 -0.0086948558 0.0286776328 0.0291269753 -0.0083834220 -0.1048838883 0.0721514027 0.0496418564 0.0209795327 -0.0193352110 0.0037042412 -0.0326421932 -0.0196498535 -0.0340022121 -0.0845964877 -0.0793463605 -0.0528358964 0.0563200237 -0.0149141186 -0.0822560364 -0.0235468028 0.0306207546 0.0638003844 -0.0577778869 0.0408256335 0.1248064614 0.0453215784 -0.0190938297 0.0806316458 0.0237907589 0.0395465433 0.0249470775 0.0571101734 0.0491948231 0.0114139212 0.0520584645 0.0838171588 0.0362065963 0.0447971366 -0.0247740200 -0.0137420965 0.0851506687 -0.0572366197 0.0209882214 0.0254550237 -0.0607911421 -0.0527472704 0.0496937963 0.0158365558 -0.0140984073 -0.0653159251 -0.0771692453 -0.0596454449 0.2080725117 -0.0272067853 0.0247842967 0.0167452625 0.1917254414 -0.0013371574 0.0437365900 -0.0810134923 0.0035968510 -0.0933516639 -0.0598670082 -0.0348361608 -0.0890810806 -0.0396725984 -0.0312445752 0.1461891029 0.0760640992 0.0470135039 0.0072900487 -0.0010951318 -0.0006200411 -0.0685452830 -0.0508836333 -0.3306606155 -0.1781823670 -0.1010993078 0.1955031394 0.2829854783 0.1437856492 0.0423451162 -0.0060020635 -0.0045683202 0.0958603325 -0.0356488728 -0.0768439342 0.2006894683 0.0342062346 0.1094381954 0.1407299809 -0.0211443574 -0.0416694703 -0.0214181004 0.0307980787 -0.0482241543 -0.0334552698 -0.0239206927 -0.0582576370 -0.0534006545 -0.0299836527 -0.0394589346 -0.0355375592 0.0462045040 0.0373919543 -0.0520993746 -0.1058390219 -0.1228755891 -0.0349807590 -0.0066024585 0.0122359822 0.0122044308 -0.2816501328 -0.2269173203 0.2393197836 -0.1160679076 0.5036511898 -0.0559641398 0.4048200540 -0.1540351540 -0.1913175738 -0.0030585224 -0.0455353068 0.0251369016 0.0197453519 -0.0429674644 0.0370882830 -0.0254166453 -0.0555313064 0.0129860096 -0.0081173676 -0.0280095567 0.0209163640 -0.0370053906 0.0011399720 0.0585414156 -0.0028303909 -0.0556112606 0.0222198091 0.0167842651 0.0229559144 -0.0231523072 0.0184951418 0.0087794822 0.0554305487 0.0727143915 0.1025272643 0.0777059983 -0.0478505871 -0.0179470354 0.1406160259 0.0103205487 -0.0178960997 -0.0565452790 0.0575503816 -0.0305248614 -0.1365073831 -0.0757860742 0.0443353494 -0.0781192790 -0.0133589325 -0.0348114871 -0.0136513534 -0.0491726401 -0.0336516007 0.0193873258 -0.0189743809 -0.0876653157 -0.0148504926 -0.0284208880 0.0251244815 0.0078601034 -0.0683187296 0.0552917528 -0.0233332514 -0.0070260489 0.0603614461 0.0443334672 -0.0238714961 -0.0084773118 0.0121727749 0.0616807576 0.0535642599 0.0364263960 -0.1309178527 0.0182759513 -0.0106858425 -0.0016932675 -0.1313151797 0.0109696986 -0.0168919176 0.0447982122 -0.0234680327 0.0529836553 0.0146125627 0.0170877752 0.0657182545 -0.0265651100 0.0102813156 0.0148080901 0.0185283301 -0.0311756487 -0.0055695495 -0.0019099864 -0.0032271806 -0.0418610148 -0.0433969901 -0.1853073878 -0.1150642350 -0.0614243581 0.1125579806 0.1327186314 0.0892780774 0.0259480600 -0.0069226187 -0.0002461521 0.0395623124 -0.0207972070 -0.0327183985 0.0869303117 0.0079705923 0.0499932281 0.0591271099 -0.0059173545 -0.0319495529 -0.0113579063 0.0384718335 -0.0365420032 -0.0196151710 -0.0165777435 -0.0518109586 -0.0334102153 -0.0150211796 -0.0220058369 -0.0135880768 0.0284860021 0.0244795890 -0.0112520341 -0.0057834594 -0.0077284959 -0.0192899617 0.0138659463 0.0033377569 -0.0004481917 -0.0421096094 -0.0398942464 0.0372434237 -0.0097973584 0.1017773398 -0.0195564533 0.1013428540 -0.0228122963 -0.0331484352 0.0154147730 -0.0201800544 0.0038898992 0.0230981117 -0.0245518884 0.0157751284 0.0200042168 -0.0287178323 -0.0067877041 0.0064173626 -0.0213239085 -0.0173057401 -0.0085199760 -0.0312237035 -0.0322917039 0.0221750931 -0.0052545390 -0.0312437701 0.0218872011 -0.0010326150 0.0128260899 0.0354096912 0.0258403475 0.0090778787 0.0357094979 0.0358723937 0.0099667251 0.0331749618 0.0231947633 0.0136710868 0.0088138119 0.0558980347 0.0011518550 0.0350971861 0.1049094164 0.0674202813 0.0264768695 -0.0053730178 0.0040062153 -0.0210126839 0.0973272659 -0.0696633915 0.1641785213 0.0959785068 -0.2247140802 -0.1619171799 0.2464561601 -0.1353677316 -0.0195013618 -0.1351466126 0.0382446023 0.1171763261 -0.2651316959 0.1853657941 -0.1429481041 -0.2993932480 -0.1144360238 -0.0980859654 -0.0008516094 0.0094885676 -0.4242929996 -0.1862594618 -0.0141606424 0.1799959594 -0.0717049540 0.0718493854 -0.1565211082 0.3807152247 -0.0788564573 -0.0004622818 0.0003330293 0.0153787430 0.0701095248 0.0381648426 0.0108196355 0.0736666166 0.0472079579 0.0131393807 -0.0140342504 -0.0332724907 -0.0059765761 -0.0124682931 -0.0025194430 0.0006198706 -0.0139595042 -0.0229297783 -0.0320517536 -0.0404873609 -0.0137198377 0.0251175556 0.0043655026 0.0181401680 0.0080024842 -0.0042308767 0.0047290580 0.0034188153 -0.0049420166 0.0001824500 0.0095637171 -0.0026481610 0.0099364536 0.0053126788 0.0011631934 -0.0084332719 -0.0011144500 0.0217918579 -0.0130703755 0.0001286616 -0.0081177210 -0.0207899157 -0.0083809312 0.0016996441 -0.0009492719 0.0016016137 0.0074152042 0.0034554150 0.0052228511 0.0384248917 0.0393109407 0.0012817664 0.0629622512 0.0241582172 -0.0056641362 -0.1012532883 -0.0999023004 0.0976122801 -0.0205303943 0.3244518553 -0.1004700535 0.3597775498 -0.0357772824 -0.0831753419 0.0414846860 -0.0771547832 0.0342267117 0.0270130316 -0.1416227805 0.1239203964 0.1069856410 -0.1418021080 -0.0472753918 -0.0123765632 0.0047978484 -0.0541955292 -0.1252109918 -0.0590259957 -0.1455829866 0.0511302020 0.1337160376 -0.1246850762 -0.0444630920 0.0058475005 0.0612563479 -0.0210415779 -0.0398351419 -0.1397871632 -0.1111812248 -0.3397837992 -0.1871937861 0.0942840023 0.0639068581 -0.4059475709 0.0003793260 0.0029444474 0.0768315605 -0.0856830813 0.0115580763 0.1941801574 0.1545883923 -0.0736246616 0.1171114962 0.0147878193 0.0236846358 0.0343034155 0.0143698675 0.0122643565 0.0140992726 0.0478593960 0.0654915385 0.0483623509 0.0351524532 0.0019733228 -0.0218224107 0.0605288851 -0.0053235575 -0.0202119655 0.0354789128 -0.0046710302 -0.0318532676 0.0476170892 0.0061842634 -0.0226827842 0.0516048400 0.0014931693 -0.0316797574 0.0769433282 0.0048354171 -0.0257426114 0.0420741075 0.0215417004 0.0015513838 -0.0438921244 0.0763601351 0.0575299161 -0.0830875833 0.0026221993 0.0283198059 -0.1513841152 0.0818097621 0.0379093392 -0.0343772161 -0.0350141168 -0.0004267306 0.0124756150 -0.0004133938 -0.0014700309 0.0051446757 0.0041695299 -0.0208677874 0.0041229675 -0.0032772954 0.0051923422 0.0334667762 0.0027952058 -0.0013314674 0.0080845059 -0.0026614819 0.0112364693 0.0075616170 -0.0118463656 0.0233361356 0.0147719454 0.0122119325 0.0172383438 -0.0005116851 0.0051595734 -0.0015574844 -0.0101130708 -0.0025039318 0.0113733656 0.0052202090 0.0065669623 -0.0111085297 0.0026485776 0.0117368811 -0.0043846820 -0.0059840203 -0.0066769530 -0.0186878700 -0.0137766857 -0.0092877831 -0.0002634701 0.0103535324 0.0041866517 -0.0024786765 -0.0062938960 -0.0014423760 -0.0046220365 0.0097434484 0.0180448643 0.0019160882 0.0187928328 0.0060024297 -0.0008494198 0.0201852396 -0.0072674702 -0.0069958173 0.0196102827 -0.0212940639 0.0138525248 0.0448671525 -0.0219599373 -0.0248812393 0.0028555690 0.0039007821 -0.0410804033 -0.0239838255 -0.0394888200 -0.1011192870 0.0238188132 0.0757429029 -0.0691739067 0.0083693750 -0.0073777592 0.0155424386 -0.0466664541 0.0227451770 0.0185192895 -0.0619846715 0.0658940314 0.0168219138 -0.0579711889 0.0119068772 0.0442360305 -0.0527309029 0.0172880554 0.0043954687 -0.0450301958 0.0031535772 -0.0328239984 -0.0771845658 0.0456118428 -0.0021732587 -0.0164223073 -0.0034359208 0.0203484296 -0.0507477172 0.0145751815 0.0790623699 0.0450205694 -0.0425157073 0.0481705982 -0.0090902184 0.0066407366 -0.0284069972 -0.0164216324 0.0097494379 -0.0299848913 -0.0023648325 0.0162300619 -0.0188373480 0.0418904549 0.0062187665 -0.0056363040 0.0758914984 0.0040057500 -0.0323186441 0.0817916663 0.0027784068 -0.0084936230 0.0336250063 0.0116776808 0.0579174211 0.0361524880 -0.0578099664 0.0196650707 0.0018019137 0.0256521415 -0.0142194593 0.0590878973 0.0648262425 -0.0022386794 -0.0184198778 -0.0368069072 0.0168459482 -0.1617008706 -0.0162955021 0.0253257150 -0.0815674350 -0.3099752163 -0.0852670336 -0.4273381768 -0.0361849955 0.1519250320 -0.2081810755 0.0759796597 0.0648764197 0.0224948812 0.1409648949 -0.0079737923 0.0091625786 0.0902803648 0.0619957542 0.0594361863 0.1857012726 0.0106733491 0.0937576174 -0.0588536224 -0.0473039666 0.3442263645 -0.1930174167 0.0695299173 -0.0879355816 -0.2899243544 -0.1590100185 0.1208552427 0.0627475880 -0.0247177590 -0.0383446858 -0.0505074586 0.0361908284 0.2209720192 0.2098619614 -0.0756547352 0.0343195307 0.0129177692 -0.0113003944 -0.0354021821 -0.0298999140 0.0167198527 -0.0012116525 0.1380007411 -0.0542750524 0.1612543198 -0.0002585910 -0.0303743770 0.0366743007 -0.0359065904 -0.0015575949 0.0058384423 -0.1041292580 0.0824761274 0.1517244100 -0.0888334269 -0.0680390694 -0.0285138094 0.0529904184 -0.1194167846 -0.1754975105 -0.0882435699 -0.3192750000 0.0309294136 0.3335066222 -0.2145913092 0.0197255372 -0.0180402354 0.0348544301 -0.0759607408 0.1085858256 0.0303169170 -0.0959383658 0.3131291330 0.0404144611 -0.1521764306 0.0518311146 0.1794716894 -0.0858295203 0.0242359531 -0.0048595169 -0.1017530102 -0.0064316380 -0.0461079139 -0.1166527648 0.0514312172 -0.0137776214 -0.0340923387 -0.0133889618 0.0229410416 -0.0910103543 0.0125056560 0.1141912861 0.0517116775 -0.0814329170 0.0619231834 -0.0308323105 0.0042965357 -0.0401678262 -0.0442666266 0.0080118814 -0.0397668532 -0.0215030210 0.0173423720 -0.0268232917 0.0463880890 0.0061138236 -0.0035389004 0.0988714296 0.0053315830 -0.0412468590 0.1032720655 0.0030117428 -0.0105154515 0.0346570973 0.0111934136 0.0924605223 0.0864269797 -0.1764014456 0.0492393848 0.0626999088 0.1162256729 -0.0645376195 0.0596893142 0.1385009978 -0.0574541951 -0.0358934511 -0.0424382688 0.0585739713 0.0721240380 0.0014773612 -0.0091190101 0.0202243227 0.1558766923 0.0147299562 0.1936694295 0.0062165098 -0.0616328518 0.1283673507 -0.0391597002 -0.0285734042 -0.0267920427 -0.0811132910 0.0257457292 -0.0228863185 -0.0668268077 0.0066052970 -0.0383899207 -0.0847453197 0.0235639913 -0.0608382084 0.0158707135 0.0337468665 -0.1586307446 0.0622009411 0.0017396789 0.0221584663 0.1159439185 0.0697831452 -0.0428252306 -0.0008971119 0.0260920237 0.0343890715 0.0207090230 -0.0326095895 -0.0003970595 0.0080062070 0.0769150732 -0.0423739412 -0.0206755076 0.0057531763 -0.0753352427 -0.0220363944 -0.0128417427 -0.0051891627 -0.0388492553 0.1143719780 -0.1373863816 -0.0327071640 -0.0055958578 0.0286210196 -0.0019635595 -0.0492765929 0.0714919969 0.0391352019 -0.0831105786 -0.0446357931 0.0272654716 -0.0113378749 0.0778571331 -0.0961328207 0.0544499496 0.2466687426 0.0274709860 0.2279700016 0.0227854978 -0.3624626665 0.1468474697 0.0402268600 0.0123394625 0.0051627877 -0.0455761291 -0.0289744805 -0.0051106727 -0.1140880120 -0.1441753365 -0.0329883433 -0.0205873888 0.0329128120 -0.1455968392 -0.0884615021 0.0606656319 0.0360594351 0.0022295630 0.0714297605 -0.0470272981 -0.1143298772 0.1702561521 0.0307970333 -0.1032307506 0.0353233778 0.0644416368 -0.2060363692 0.0672725995 0.2076869032 0.0746140217 -0.0689424597 0.1455570586 -0.0791700195 -0.0363087928 -0.1105062206 0.0035629072 -0.1022358034 -0.0392169415 -0.1312294322 -0.0984300489 -0.1620777019 0.1057843858 0.0059556902 -0.0298466695 0.2067499004 -0.0038204091 -0.1134943239 0.3018773434 0.0037102194 -0.0646415578 0.0660116345 0.0665136589 0.2220895727 -0.0332610325 0.0697416217 0.0064888947 0.1127267347 0.0696548754 0.0284087655 0.1388828417 0.0813946154 0.0334346234 0.0023163480 -0.0497315333 -0.0490857339 0.0213041346 -0.0011284482 -0.0037039479 0.0032441771 0.0459417922 -0.0048465247 0.0560255822 -0.0031686791 -0.0147100682 0.0442908380 -0.0086813778 -0.0077042309 -0.0109085250 -0.0267790666 0.0083794058 -0.0070554259 -0.0215303360 0.0004696204 -0.0153067785 -0.0297818804 0.0067263869 -0.0196593270 0.0017816009 0.0130939108 -0.0368095589 0.0149280207 0.0034568505 -0.0003945634 0.0229949604 0.0149250017 -0.0106253302 0.0089807101 0.0137534693 0.0160104053 0.0047143987 -0.0086609257 0.0675334319 0.0787276716 0.0345478653 0.0414028447 0.0210045108 0.0012614403 0.1424649968 0.0527538984 0.0164737443 0.0011968658 -0.0220900867 -0.1490577262 0.1205099752 0.0454016617 0.0276747055 -0.0638077503 0.0187914847 0.0741768723 -0.0685938574 0.0437628866 0.0317958142 -0.0652896156 0.0376036324 0.0951132130 -0.0853932178 0.0421357110 -0.0261119440 -0.2407652687 -0.0388787735 -0.1434685250 -0.0393198028 0.2449916107 -0.1008723483 0.0340307656 0.0013622304 -0.0151805118 0.0300922800 -0.0711044013 0.0245911844 0.0190596424 -0.1295711878 0.0170648660 0.0635855326 -0.0494812077 -0.0311456060 0.0000154230 0.0221204293 0.0199985580 0.0991417101 0.0525576669 -0.0334223064 -0.0311594068 0.0996030929 0.0131410880 -0.0654626903 0.0237676052 0.0308771019 -0.1300468493 0.0286887916 0.0963693057 0.0206875803 -0.0378090647 0.0702551721 -0.0584196799 -0.0306473416 -0.0607227325 0.0119117249 -0.0850105748 -0.0030760419 -0.1059686865 -0.0878517687 -0.1088537646 0.0438597926 -0.0014913075 -0.0155143699 0.1006824498 -0.0042665735 -0.0589796903 0.1571755015 0.0002680231 -0.0400467848 0.0210775850 0.0331588111 0.1291482581 -0.0009672304 -0.0082594073 -0.0160115870 0.0578991854 -0.0312737309 0.0186095049 0.0748576858 -0.0875111282 0.0083442361 0.0162310567 0.0457428261 0.0138841769 -0.0309692893 0.0074856040 -0.0012541114 0.0284904040 -0.1186394770 0.0373811613 -0.0890190103 -0.0001083615 0.0294801621 -0.1465478173 0.0527729663 0.0226122441 0.0486682039 0.0705129598 -0.0715697929 0.0674255795 0.0953718856 -0.1135771399 0.0248493716 0.0112678119 -0.0957155381 0.0630173794 0.0341373681 -0.0340745628 0.0222456399 0.1543460208 -0.2155492236 0.0621812805 0.0992917047 0.1167963612 -0.0690883782 -0.2060030824 -0.0417175544 0.0359977683 0.0363579104 0.1072583902 -0.2895760466 -0.3813569924 -0.1358227967 0.0504514629 0.0283373813 0.0068383307 0.1862136462 0.0778333227 0.0106003408 -0.0006177084 -0.0444265773 -0.1962637084 0.1479565757 0.0647490729 0.0471152402 -0.0932303320 0.0327004722 0.1034948623 -0.0692157671 0.1080043673 0.0014002580 -0.1424410367 0.0892885520 0.1706977581 -0.1069450294 0.0228579435 -0.0187729076 -0.2855401782 -0.0531228052 -0.1282479146 -0.0466810222 0.2265999851 -0.1045339125 0.0327284817 -0.0010310301 -0.0506380171 0.0593754245 -0.1127125664 0.0381238099 0.0559974939 -0.2060971677 0.0284951852 0.0988479895 -0.0785586179 -0.0500937291 0.0334673354 0.0096474043 0.0176682543 0.1500031423 0.0511041584 -0.0368953934 -0.0072561473 0.0862410484 0.0088497207 -0.0482408989 0.0255999730 0.0225465195 -0.0922561879 0.0227024846 0.0572877383 0.0052039219 -0.0145775971 0.0467295581 -0.0440179950 -0.0249307594 -0.0426358260 0.0226325962 -0.0745048325 0.0082697269 -0.0904225608 -0.0795255928 -0.0884102280 0.0264197420 -0.0029566591 -0.0122458320 0.0671012654 -0.0041916825 -0.0423252338 0.1103729730 -0.0009619463 -0.0312471298 0.0095951377 0.0227953476 0.0921579699 0.0057982083 -0.0188185692 -0.0623048504 0.0489864760 -0.0796397889 0.0254870087 0.1380404893 -0.1381726161 0.0186325711 0.0380551370 0.0580473483 -0.0167250520 0.0213778775 -0.0090542888 0.0016733383 -0.0226941254 0.0955451200 -0.0119481265 0.0773465738 0.0029755764 -0.0342771469 0.1027373905 -0.0538915465 -0.0207951954 -0.0398075410 -0.0569049368 0.0524361839 -0.0486528796 -0.0689655253 0.0732743088 -0.0250926564 -0.0232656385 0.0664944426 -0.0485495075 -0.0233168033 0.0315940983 0.0035005227 -0.1275041438 0.1852414665 -0.0546506023 -0.0894347094 -0.1058602821 0.0558209349 0.1751841282 0.0387205937 -0.0381238229 -0.0342904457 -0.0868556538 0.2401421550 0.3241101984 0.1168565887 -0.0338103849 -0.0286211534 -0.0178779806 -0.1718558391 -0.1042878829 0.0212667976 0.0052654573 0.0738433619 0.1632943529 -0.0987204910 -0.0957692757 -0.0954169114 0.0725014688 -0.0084809076 -0.0841540691 -0.1053577243 -0.2517189785 0.1753520856 0.3056230109 -0.1825433783 -0.2959329671 0.0461090712 0.1763457489 0.0346447855 0.1753437414 0.2080497627 0.0826715031 0.0126408875 0.0503811670 0.0885958052 -0.0675236256 0.0053908621 -0.0167814992 0.1306912198 -0.0048580350 0.0221119337 0.2079878808 0.0203297400 0.0452742928 0.1125849775 -0.0291613352 0.0836126656 0.1240663100 -0.0151681455 0.0134995478 0.1232403352 0.0341492661 0.1093291893 0.2188184495 -0.0437800499 0.0401863412 -0.0659176032 -0.0026333451 0.0223070947 -0.1876512174 -0.0255827846 0.0880648101 -0.0026424041 -0.1198947370 0.0522672159 -0.0920957251 -0.0355337307 -0.0586152975 -0.0018167672 -0.1072946254 0.0171318428 -0.1558366090 -0.1145556199 -0.1267637216 0.0090665231 -0.0114343305 -0.0093545408 0.0943126830 0.0008679126 -0.0522470031 0.1181582343 -0.0022242669 -0.0434205109 -0.0120578296 -0.0016811306 0.1553329851 0.0219218491 -0.0376657031 -0.0146664920 -0.0261689504 -0.0489934548 0.0267251112 -0.0870574410 -0.1252502406 0.0071535131 -0.1236836364 0.0583972873 0.0402000646 -0.0014081506 -0.0004197881 -0.0009946976 0.0003206393 -0.0100793474 -0.0076012245 -0.0127922573 0.0014925383 0.0014039926 -0.0007383255 -0.0007182514 -0.0008993126 0.0034042286 0.0042351595 0.0003546656 0.0075870697 0.0107680870 -0.0098980216 -0.0044775090 -0.0063783452 -0.0033817410 0.0050075122 -0.0008722210 0.0076734579 0.0313067962 -0.0347271122 0.0493965879 -0.0036984051 -0.0295207970 -0.0366632821 -0.0024266718 0.0204714702 0.0054549411 -0.0090768422 -0.0018905331 -0.0172355886 -0.0178840814 -0.0022670914 0.0151492247 0.0123387906 0.0141882250 0.0081410657 0.0631214304 0.0501157312 -0.0219814080 -0.0004848287 -0.0327969779 -0.0596621199 0.0324345531 0.0529236537 0.0533392853 -0.0252109618 -0.0025097789 0.0316959341 0.0771924968 0.1328516202 -0.1106178789 -0.1622204173 0.0958598129 0.1513952777 -0.0099806420 -0.1033457877 -0.0136750167 -0.0695562277 -0.1369917736 -0.0596555707 -0.0037201311 -0.0150010892 -0.0400805230 -0.0191423097 -0.0264880830 0.0294573860 0.0912704240 0.1582468013 -0.0528835429 0.1831676664 0.4484907225 -0.0007635222 0.0093251421 0.0235885175 0.2633754432 0.0994196677 -0.0068555902 -0.0019456400 -0.0869524516 0.0137665554 0.2519263371 0.3437843033 -0.1742369856 0.0624213650 -0.0530752590 -0.0226246600 0.0220309038 -0.1821250102 -0.0218468994 0.1306768856 0.0179121367 -0.1832128063 0.0566942600 -0.0871179078 -0.0270183738 -0.0502914847 -0.0264411826 -0.0791116574 0.0062884010 -0.1290936752 -0.0824692092 -0.0998682055 0.0003117509 -0.0120434683 -0.0045240815 0.0870260294 0.0037747974 -0.0436125967 0.0887000741 -0.0026795763 -0.0344125455 -0.0164631309 -0.0166620439 0.1443069458 -0.0238343847 0.0569937053 0.0268998206 -0.0878833785 -0.0050628116 -0.0582415312 -0.2079948278 0.0850297012 -0.0492916476 0.0908442328 -0.0439685053 0.0088968027 -0.0051285898 0.0040179035 0.0022378888 -0.0072714414 0.0078869205 0.0007083688 -0.0040130194 0.0018706921 0.0047717024 0.0012826330 0.0045517918 0.0020628979 -0.0058142161 -0.0011811814 0.0037079710 -0.0227883382 -0.0176367369 0.0322306366 0.0107601195 0.0280258311 0.0153188434 -0.0031128970 -0.0067711857 -0.0144892038 -0.0385829283 0.0004243073 -0.0159506507 0.0107677058 0.0156637030 0.0095240032 0.0220565246 0.0077889338 -0.0108997922 -0.0117057763 -0.0030357931 0.0068870419 0.0007240190 -0.0075724273 -0.0206339526 0.0031216883 0.0019659687 0.0013047168 0.0145252990 0.0106319069 -0.0061281702 0.0002869407 -0.0091932935 -0.0128146763 0.0047519362 0.0088131957 0.0093816311 -0.0041517780 0.0006303592 0.0054794904 0.0138263496 0.0254949265 -0.0210243771 -0.0257242318 0.0178252542 0.0266399142 -0.0012623352 -0.0196164977 -0.0048966826 -0.0112206940 -0.0188761441 -0.0048528012 -0.0006681807 -0.0118884734 -0.0072122943 0.0026662877 -0.0032454444 0.0024681706 -0.0028348050 0.0170534769 -0.0021207798 0.0034666035 0.0360493504 0.0017255589 -0.0127291632 0.0128646360 0.0149392413 -0.0013082503 0.0014802111 -0.0015840757 -0.0133010690 -0.0012815479 0.0075468526 0.0050263919 -0.0061240801 0.0000442541 -0.0006154219 -0.0013406280 -0.0005325055 -0.0049110617 -0.0010965912 0.0036606413 0.0015403532 -0.0064207610 0.0006049964 -0.0020435288 -0.0004648101 -0.0008177927 -0.0025221959 -0.0005192270 -0.0004073516 -0.0016866431 -0.0004267512 -0.0008276909 -0.0003610807 -0.0001579869 0.0004791891 0.0008162794 -0.0000128940 -0.0001087078 0.0003803237 0.0000155670 0.0000631307 -0.0004840975 -0.0005119687 0.0027303965 -0.0035210302 0.0044370670 0.0104620865 0.0087900876 0.0166431350 -0.0004488628 -0.1199082034 -0.0508539439 -0.0193360050 0.0132197623 -0.0039648405 -0.0050338009 0.0032494148 -0.0152130012 -0.0127806247 0.0549196121 -0.1195926692 0.0249241780 -0.0749850558 0.0366613267 -0.0495290333 -0.0885336767 -0.0609512295 -0.0273654318 0.0538779170 0.0470736157 -0.0165045061 0.1589768718 0.1972550594 -0.2563986480 -0.1176148347 -0.2055626780 -0.1134929795 0.0725702574 -0.0037671756 0.1390648762 0.4079271610 -0.2246482431 0.3596566965 -0.0724140811 -0.3144733764 -0.2528872107 -0.1613337771 0.0095960811 0.0708631330 0.0227489145 0.0169266960 -0.1303753260 -0.2818459064 -0.1922405771 0.1605515273 -0.0141445984 -0.0030286633 -0.0170012666 -0.0505471539 -0.0234622784 -0.0085019832 0.0039358314 0.0109555524 0.0482689611 -0.0568208417 -0.0168033078 -0.0324966006 0.0087688802 0.0055485179 -0.0150776194 -0.0541613795 -0.0553770653 0.0373899130 0.0440292945 -0.0372669515 -0.0679538072 0.0177404844 0.0384006564 0.0453491362 -0.0064765099 -0.1037020811 -0.1463622626 0.0040948946 0.2520324214 0.0050357162 0.0260844728 -0.0439754960 -0.0213419191 -0.0109371727 -0.0521220328 -0.0265226575 -0.0541852076 0.1689504950 -0.0188367411 0.0026270151 -0.1552334953 0.1763583074 -0.0158895034 -0.0017929456 -0.0025797202 0.0243792705 0.0153368481 -0.0158754487 -0.0138892597 0.0129586197 -0.0025341539 -0.0016712272 0.0128931837 0.0084822541 0.0205763202 0.0301302611 0.0182614997 0.0011316005 0.0163489315 0.0098155510 0.0148392066 0.0052238016 0.0070679442 0.0215908906 0.0034026712 0.0074612758 0.0136761377 0.0023767789 0.0032093296 0.0047114844 0.0013952713 -0.0028452147 -0.0048222900 -0.0028304995 -0.0020887092 -0.0078815458 -0.0023599470 0.0055803517 0.0073102671 0.0007412313 -0.0242103559 -0.0455650097 0.1271995234 -0.0438203198 0.0112518969 -0.0687519944 -0.1393753685 0.7112602560 0.3724705592 -0.0219051157 -0.0057100687 -0.0647797952 0.1570787836 -0.0065562971 0.0006605134 0.0029861210 -0.0186215617 0.0251409789 -0.0050863031 -0.0023433535 0.0146794618 -0.0158627482 0.0213419623 -0.0244430153 -0.0087094418 -0.0132340246 -0.0095806689 0.0156923277 -0.0070479459 0.0126010065 -0.0157138843 -0.0343803731 -0.0421584110 0.0040407679 0.0069277451 -0.0032578265 0.0274154310 0.0101265103 -0.0321032167 0.0682590665 -0.0157453140 -0.0389787171 0.0011622762 0.0162764899 0.0130838819 -0.0130377129 -0.0085497281 0.0004185358 -0.0140679337 -0.1355932892 -0.1468613577 -0.0156576923 0.0069260560 0.0032103243 0.0112525701 0.0438202777 0.0111651378 0.0199671384 -0.0046722083 -0.0138402770 -0.0358164599 0.0338796310 0.0072433678 0.0156695007 -0.0113100316 -0.0007298688 0.0106376221 0.0291241769 0.0187740211 0.0071399053 -0.0183052065 0.0085222078 0.0228076257 -0.0157167514 -0.0123312529 -0.0288626208 0.0219413095 0.0874307139 0.1087036155 -0.0078770607 -0.1783515733 0.0041698914 -0.0323435276 0.0289917195 0.0289944401 0.0181089927 0.0295476171 0.0124782178 0.0429112773 -0.1020776338 0.0046031376 0.0536665864 0.0621932088 -0.0739030994 0.0179831360 0.0047385641 -0.0057218871 -0.0391484239 0.0070979168 0.0623636351 0.0630455865 -0.0749344198 0.0041512039 0.0070793053 -0.0141669735 -0.0139305870 -0.0183195227 0.0020177065 0.0329582230 0.0185207581 -0.0715605189 -0.0082831125 -0.0120497253 -0.0022274986 -0.0060020898 -0.0230406383 -0.0045316201 0.0008842376 -0.0168326502 -0.0044479818 -0.0060368889 -0.0071294587 -0.0017120610 0.0055376420 0.0030998306 0.0000415610 0.0007514217 0.0001596407 -0.0019293754 0.0048279431 -0.0087169570 -0.0045722730 0.0200437938 0.0493796999 -0.0552615589 0.0291504056 -0.0848179643 -0.0094348921 0.0470942274 0.7348535736 0.4770040633 0.1810383701 -0.0083084914 0.0351441981 -0.1027224736 -0.0069648362 0.0020961809 0.0031405559 -0.0158977437 0.0182872438 -0.0050009784 -0.0109591756 0.0193670070 -0.0166963243 0.0172934153 -0.0247997885 -0.0092312196 -0.0078699507 -0.0053783292 0.0133259902 -0.0057262371 0.0201419788 -0.0208733623 -0.0279773047 -0.0430353034 -0.0004121594 0.0096119877 -0.0003144922 0.0200405181 -0.0030266495 -0.0170889840 0.0459018583 -0.0017164854 -0.0159964209 0.0148297926 0.0118657276 -0.0012158673 -0.0186300553 -0.0062340147 0.0029988411 -0.0075771244 -0.1434014413 -0.1613512626 -0.0315220747 0.0010324716 -0.0012389420 -0.0024484175 -0.0293038382 0.0033697087 -0.0308784052 0.0055079628 0.0153541744 0.0205974551 -0.0035058815 0.0199817030 0.0223455757 0.0094002076 -0.0098075184 -0.0050707429 0.0147276567 0.0248540864 -0.0550999790 -0.0224431658 0.0237635574 0.0356538885 0.0033961072 -0.0088295289 0.0054607710 -0.0221402518 -0.0289395035 -0.0221805155 0.0064716190 0.0332830223 -0.0059938636 -0.0429801300 -0.0117666349 -0.0092740766 0.0452007919 0.0490316292 0.0115504676 -0.0095434524 -0.0464249949 -0.0114983400 0.1033032839 0.0775967059 -0.0749414634 0.0124880132 0.0238149887 0.0552741121 0.0572669633 -0.0813777494 -0.2090315708 -0.0639579816 0.2990583939 0.0418460487 -0.0008190827 -0.0574179814 0.0387624599 0.1968753767 -0.1447828802 -0.2747641630 -0.1423046583 0.3056028853 -0.0326135945 -0.0433556989 -0.0806664768 -0.0272507395 -0.1891986055 0.1709416996 -0.3571779598 0.1182471557 0.2031381268 0.2698622467 -0.0067177614 -0.0186383586 -0.0156851159 -0.0157976896 0.1240255844 0.1814785746 0.1641060102 0.1337492836 -0.2893538667 -0.0483637182 0.1018805022 0.1563567219 0.0103642789 0.0056420710 -0.0103514034 -0.0122365096 0.0035132153 -0.0050667724 0.0295688633 0.0224997581 0.0004424946 0.0081662529 -0.0009850140 0.0162013570 -0.0012763783 0.0008169208 0.0003145689 -0.0019869818 0.0022460417 0.0000624420 -0.0012021261 0.0011894559 -0.0000217842 0.0003047652 -0.0001591056 -0.0002122896 -0.0006291002 -0.0006480796 0.0006549119 -0.0023842940 -0.0014540516 0.0024502812 -0.0005978900 0.0013380626 0.0016129656 0.0015308110 0.0002488188 0.0013343859 -0.0068865161 -0.0049846396 0.0111818368 0.0027059675 0.0003473259 -0.0003970220 0.0041919699 0.0018557985 -0.0026868040 -0.0028449079 0.0001582070 -0.0009819840 -0.0219866259 -0.0259569855 -0.0031383502 -0.0058668144 0.0141201220 0.0109214464 0.1757338963 -0.0288743630 0.2030828646 -0.0179153272 -0.1064569290 -0.0947160631 -0.0144124284 -0.1308191076 -0.1573274023 -0.0451571866 0.0597977260 0.0205347110 -0.0365617188 -0.1374704708 0.3297582325 0.1110851713 -0.1492954967 -0.2336660153 -0.0129239860 0.0161676238 -0.0260704216 0.1330171035 0.0645216307 0.0445892053 -0.0285132107 -0.1391112805 0.0166776518 0.3319638542 0.1465462511 0.0271580863 0.0036584487 0.0078339699 -0.0259464880 0.0638976563 0.1071573246 0.0011610393 0.0042446298 -0.0437605434 0.0911564106 -0.0198278817 0.0391117733 -0.0122053833 -0.0922723719 0.0677248925 0.1288054616 0.1079665428 -0.0603818075 0.0215653982 0.0023860992 -0.0076096478 0.0041345424 0.0892362777 0.0578658903 0.0405811190 0.0043538388 -0.0182974257 0.0057965254 -0.0086416252 -0.0453882157 -0.0084174111 -0.1052169914 0.1136015106 -0.2150736606 0.0616722680 0.1285153296 0.1932457414 -0.0044006577 -0.0155930557 -0.0001544230 -0.0478342011 0.0707077042 0.1456383432 0.0721001203 0.0826065257 -0.1692120195 -0.0257181767 0.0679783963 0.0522829243 -0.0960067788 -0.0421749785 0.0140613714 -0.0740597259 -0.0674841107 -0.0057185787 -0.0954968449 -0.0892312813 -0.0143216960 -0.0390502638 -0.0494913897 -0.0235757194 -0.0157080826 0.0029231849 0.0125413698 -0.0575159735 0.0615598074 -0.0528206124 -0.0489100386 0.0818479783 -0.0748135527 0.0967991186 -0.1135894076 -0.0405886991 -0.0197902646 -0.0166651114 0.0401421917 -0.0320045675 0.0968278861 -0.1023893854 -0.0377762620 -0.1875128762 -0.0272553331 0.0135814754 0.0014193004 -0.0014926061 0.0641550034 0.0319395705 -0.0610823388 0.0201272597 0.0077083823 0.0016119388 0.0183455013 0.0031727852 -0.0196090438 -0.0087870031 0.0000351792 -0.0013195429 -0.0288022112 -0.0288490273 -0.0490864884 -0.0121982394 0.0114872624 0.0095912065 0.1696111450 -0.0167542436 0.1765481515 -0.0328240438 -0.1041105119 -0.1190160557 -0.0010059473 -0.1158970756 -0.1381427525 -0.0508504997 0.0512051971 0.0279662572 -0.0368685627 -0.1185735326 0.2985705725 0.0706946913 -0.1249430918 -0.1840831057 -0.0023876425 0.0182143286 -0.0241438161 0.1082152644 0.0661392322 0.0471058153 -0.0227170752 -0.1095833694 0.0178251928 -0.0201740061 -0.0546274372 0.0240713849 -0.0054670466 -0.0247375580 -0.0267041907 0.0088413084 0.1305330883 -0.0085512018 -0.0371947366 -0.0874213777 0.1174703881 -0.0086626930 0.0010578860 -0.0047533212 -0.0013791690 0.0110594833 0.0067474089 0.0338482519 0.0155511286 0.0074706893 -0.0105553952 0.0096762990 0.0156840637 0.0317422732 0.0178402886 -0.0061883710 -0.0260827502 0.0431249485 0.0082885215 0.0078836147 -0.0115637414 0.0051984687 -0.0029008839 0.0354655184 -0.0621263781 0.0279115353 0.0384779082 0.0636109373 0.0062559557 -0.0043651587 -0.0075876512 -0.0167121338 0.0220202950 0.0435901553 0.0242227831 0.0275519269 -0.0613899472 0.0012273703 0.0247159354 -0.0071425197 0.0077061458 0.0161850930 0.0324098040 0.0221054909 -0.0052116113 -0.0264689451 0.0196600521 0.0814909449 -0.0104072863 0.0282540445 0.0001669517 -0.0424674549 0.0290747759 -0.0140880674 -0.0276736537 0.0942677307 -0.0701023010 0.1215756635 0.1677149899 -0.2089139541 0.1665622005 -0.1819023625 0.2572104358 0.0929572183 0.0196042710 0.0165196959 -0.0858914292 0.0725402361 -0.2513847125 0.2395123972 0.0725107915 0.4108529745 0.0700319330 -0.0372780200 0.0025486872 -0.0075161563 -0.0428682503 -0.0627939543 0.0972064645 -0.0790985799 -0.0593913069 -0.0587528021 -0.0303990614 0.0130931559 0.0565464160 0.0097454740 -0.0117623714 -0.0009620968 -0.0389234905 -0.0346553706 0.1091158543 0.0147306037 -0.0115873126 -0.0098074595 -0.1707915451 0.0153568277 -0.1791174186 0.0396718802 0.1076915234 0.1347978041 -0.0087501457 0.1176146661 0.1402286096 0.0528853593 -0.0501257738 -0.0300288393 0.0331300857 0.1178710138 -0.3016000026 -0.0661436995 0.1231037153 0.1779543644 -0.0004510401 -0.0177615942 0.0252335262 -0.1103732316 -0.0669093428 -0.0486949077 0.0216027465 0.1107080912 -0.0183107739 0.1060982665 0.0999143191 -0.0258380889 0.0097207805 0.0359741207 0.0294077914 0.0068461929 -0.1522468844 0.0117215078 0.0664423462 0.1048725443 -0.1355279926 -0.0011370765 0.0213899571 -0.0032563135 -0.0472245023 0.0366593870 0.0808959220 0.0006302456 -0.0919846913 -0.0058084432 0.0205636494 -0.0140630969 -0.0323894073 -0.0213016393 0.0264362640 0.0705115943 0.0689472901 -0.1201338568 -0.0089020405 -0.0132264156 -0.0055527358 -0.0119979480 -0.0505329232 0.0048357519 -0.0145330406 -0.0192642499 0.0061868214 0.0091680969 -0.0123299798 -0.0025387774 0.0159956586 -0.0135229874 0.0009471502 0.0217522034 -0.0090642476 0.0009986161 0.0100373653 -0.0145352880 0.0006684902 0.0258059443 -0.0289957194 -0.0265424779 -0.0396209004 -0.0438292380 -0.0151683421 0.0300054866 0.1001807939 -0.0609751568 0.0286457858 -0.0465674598 -0.0103994770 0.0472578555 0.0221961114 -0.0160449030 -0.0244525148 0.0668113434 -0.0318117625 0.1088258571 0.1755737011 -0.1977044529 0.1475871067 -0.1460841794 0.2306691096 0.0839893335 0.0079663253 0.0065319538 -0.0746432988 0.0659944972 -0.2393285865 0.2192389353 0.0590683679 0.3641549811 0.0673260114 -0.0345371433 0.0074614194 -0.0102993227 0.0003054678 -0.0517673302 0.0747867304 -0.0872244636 -0.0705684768 -0.0715344135 -0.0182473098 0.0147125368 0.0517921126 0.0041251615 -0.0127668920 -0.0002639086 -0.1211670076 -0.1291789052 0.0905357172 -0.0069570958 -0.0012477162 -0.0058084735 -0.0020893043 -0.0031738789 0.0014205511 -0.0080506826 -0.0050541580 -0.0103693185 -0.0084623748 -0.0095279982 -0.0154559145 -0.0055624418 0.0039060417 0.0055342012 -0.0236030906 -0.0137373578 0.0211575474 -0.0007106224 -0.0086307003 -0.0091978601 0.0095835261 0.0106044095 0.0117575307 -0.0090173364 -0.0183923689 -0.0276663463 0.0136948774 0.0595544177 -0.0016086604 -0.0685581677 -0.0556735306 -0.0176523109 0.0032445875 -0.0020646936 0.0123965755 0.0346001390 -0.0940482023 0.0115586460 0.0642623376 0.0177289117 -0.0620314267 -0.0550711312 0.0701244450 -0.0348492763 -0.1482140919 0.1982970440 0.3309424664 0.0745563690 -0.3197038239 -0.0096794240 0.0274871265 0.0133023659 -0.0723362106 -0.0288504853 0.2082953141 0.3020002767 0.1965298797 -0.3302977739 0.0097238642 0.0044233168 -0.0546377857 -0.0125981180 -0.1498019947 0.1373473338 -0.2483093733 0.0101598744 0.1453412708 0.2737098409 -0.0107706193 -0.0261039425 0.0336443223 -0.1515972667 0.0713833683 0.2624773978 0.0228357620 0.1013363425 -0.1738042793 -0.0292691405 0.1016480098 -0.0093836463 0.0192125339 0.0177238919 -0.0189667952 0.0572844382 -0.0048559379 0.0313588388 0.0299344059 -0.0836015063 0.0182083846 0.0163530197 0.0020270864 0.0134464977 0.0013756587 0.0014508339 0.0028323300 0.0016899574 -0.0127600568 -0.0154789744 -0.0315251104 0.0288791936 -0.0196575415 0.0151922500 -0.0333278345 -0.0117874519 0.0042849445 0.0046343275 0.0079668972 -0.0059575987 0.0416780632 -0.0355798017 -0.0027873703 -0.0488371142 -0.0135646233 -0.0000863156 -0.0012855781 -0.0012905401 -0.0035802421 0.0112812804 -0.0199978942 0.0110359635 0.0145541447 0.0089575116 -0.0074318078 -0.0081486114 -0.0025897249 0.0032939597 0.0032541251 0.0016693458 0.0689878612 0.0739467301 0.0002618584 -0.0194984934 0.0194283778 -0.0049563755 0.1605112572 -0.0338870154 0.2014547547 -0.0179727839 -0.1285646336 -0.0833149956 -0.0665211724 -0.1500583754 -0.1998099423 -0.0361433654 0.0530445625 0.0202997807 0.0230636601 -0.1093067462 0.3079108291 0.0196558695 -0.1404794391 -0.2125415931 0.0205340375 -0.0253856588 0.0012066702 0.0701899585 -0.1035476666 -0.0970895071 0.0205542714 0.0414367643 -0.0163367946 -0.0203648168 -0.0021253447 -0.0403274754 0.0278599381 0.1221877548 0.0609548419 -0.1046774037 -0.2924279183 -0.0126554336 0.1856349100 0.2785114032 -0.3386325412 -0.0101569098 0.0212287593 0.0394456330 -0.0666877482 -0.0669630350 -0.0716525291 -0.1791923117 0.0207148214 -0.0081452959 0.0562059031 -0.0580600086 -0.0536194108 -0.0322596873 -0.0934026102 -0.0393967514 0.0997666833 -0.0694392814 -0.0354703188 -0.0369288634 0.0240938392 -0.0325619782 -0.0724523703 -0.0854359068 0.1454571000 -0.0431562223 -0.0821110953 -0.1827137761 -0.0321881576 0.0167100465 0.0333025511 0.0663259916 -0.0584806555 -0.1347661546 -0.0669194601 -0.0823606871 0.1960684220 -0.0210671160 -0.0823883098 0.0803262368 0.0013458473 0.0101678781 -0.0578217003 -0.0078437432 0.0032383167 0.0253309808 0.0406416713 -0.1109013938 0.0098106758 0.0477243550 -0.0538829754 0.0548831566 -0.0007160709 -0.0020452842 0.0015494437 -0.0098338872 0.0183100496 -0.0030053137 0.0099758315 -0.0015822130 -0.0028329561 0.0162725980 -0.0078467787 -0.0018399700 -0.0035425251 -0.0024533026 0.0010600779 0.0000138469 -0.0043066494 0.0020271230 0.0099615174 -0.0020140969 0.0011410015 -0.0038327956 0.0085500330 -0.0053961306 0.0130357172 -0.0071349307 0.0136777753 -0.0149286421 -0.0094830347 -0.0211812408 0.0090907182 0.0030374057 -0.0013733954 -0.0054283566 -0.0028305451 0.0011335697 -0.0476207010 -0.0586255146 -0.0026403089 -0.0054778370 -0.0025264447 -0.0036811396 -0.0122075318 0.0029867754 -0.0166650960 -0.0107860244 0.0060005555 -0.0148774381 0.0090331556 0.0077936081 0.0077715902 -0.0011687048 -0.0018516029 0.0048611837 -0.0130653688 0.0034464715 -0.0108007145 0.0031550584 0.0076860403 0.0164947563 0.0070316094 0.0049569275 0.0027190086 -0.0016943685 0.0015348084 -0.0029030472 0.0132809135 0.0136576551 -0.0030670741 0.0088480586 -0.0046045540 -0.0027434180 0.0005861774 0.0058150942 -0.0050215006 -0.0017413892 0.0160223607 -0.0043296115 0.0166886045 -0.0118403454 0.0194897439 0.0053123187 0.0006619043 -0.0006118135 -0.0084022011 -0.0108795777 -0.0076901895 0.0183067441 0.0120699433 0.0031038387 0.0003322768 -0.0054074221 0.0056438461 0.0128497442 -0.0151196813 -0.0213899037 -0.0198869940 0.0195926762 -0.0040367686 -0.0027227338 0.0014780051 -0.0000131647 0.0007650155 -0.0050681381 0.0086168006 0.0080370625 -0.0038674112 -0.0155144618 -0.0014153452 0.0017106892 -0.0025959298 0.0155236467 -0.0020356707 -0.0193981907 0.0036750045 -0.0055611893 0.0079888511 -0.0013548424 -0.0080226794 0.0122519416 0.0018365861 0.0037124406 -0.0012769654 -0.0252848339 -0.0149797870 -0.0027694089 0.1176396457 0.0839452005 0.0223866065 -0.0031986073 -0.0002643720 -0.0011434435 0.1200231205 -0.0718455139 0.0333114112 0.1459238583 -0.2324611624 -0.1053216051 -0.1196562646 0.1140863065 -0.1157903245 0.2285539732 -0.3258872347 -0.0731292403 0.0425520150 0.1176199458 -0.0043063627 -0.0398450389 0.2635987407 -0.1572075039 0.2723998953 -0.1159742794 -0.1057967720 -0.2104598808 0.0564014078 -0.1302290770 0.1110185940 -0.0753075965 -0.0498809513 -0.3970513887 -0.1857393868 -0.2777712550 -0.0295047912 -0.0281934248 0.0844535394 0.0373958446 -0.0257278816 0.0621749545 0.1646291126 0.0936363416 0.2089569300 -0.1006862631 -0.0498250847 -0.0721627482 -0.0942070161 0.0301126052 -0.2046943407 -0.1842809908 0.0142969016 -0.2861886073 0.0699652635 0.0796591150 0.0705584739 -0.0418733101 -0.0152062310 0.1086798162 -0.2095016305 -0.0021651577 -0.0162836304 0.0105922615 0.0609672071 0.2016498961 0.1420238457 0.0776091648 0.0290133684 0.0585632956 0.0196940774 -0.0535794133 0.2967057276 0.1395979473 -0.0838952716 0.0423022048 -0.0200960876 0.0038092439 0.0116124679 0.0289586385 -0.0155227460 0.0357233061 0.0144480387 -0.0099593768 0.0613371049 0.0086893447 -0.0050313975 -0.0262756654 0.0204577385 0.0012468488 -0.1130176161 -0.0237806590 0.0153396094 0.0213648345 0.0076468644 0.0143319601 0.0122702016 -0.0280826278 0.0084285041 0.0720015002 -0.0340818854 -0.0526366017 -0.0341980379 0.0498569228 -0.0141405701 -0.0089034660 0.0042249732 -0.0056801893 -0.0409535435 -0.0179480723 0.0394831871 0.0584010896 -0.0060502569 -0.0693570286 -0.0111028674 0.0120321678 -0.0007777901 0.0632411394 -0.0177594655 -0.0916713607 -0.0074625306 -0.0350157059 0.0727875289 -0.0069996810 -0.0460251880 0.0526635580 -0.0066381997 -0.0023260285 0.0020904701 -0.0240685023 -0.0364940581 0.0145770364 0.0955570488 0.0440803423 0.0361413907 -0.0079541758 -0.0205951892 -0.0392047059 0.0291709492 0.0205647959 -0.0144616968 0.1399343540 -0.2294213909 0.0389671605 -0.1263833429 0.0224295978 0.0408144475 -0.1607099975 0.0464012788 0.0071512013 0.0313843531 0.0260737285 -0.0091243117 -0.0503088352 0.0549882990 -0.0120648782 -0.1128850255 0.0333585104 -0.0042491891 0.0085064921 -0.0825903976 0.0415691294 -0.1727987320 0.0724196376 -0.1287555342 0.1461687996 0.1209488437 0.1916094429 -0.0631958366 -0.0189478143 0.0153452963 0.0089450193 0.0227491721 -0.0277710973 0.2599121613 0.3255224953 0.0312869050 0.0125064999 0.0260927019 -0.0068216362 0.0504387313 -0.0406980881 0.1299496350 0.0637649573 -0.0646664874 0.1016760322 -0.1276985720 -0.1093592053 -0.1590492569 0.0132731931 0.0187875023 -0.0161213747 0.1034028141 -0.0197097844 0.1006952585 -0.0922239874 -0.0747034624 -0.1275746647 -0.0058006986 -0.0530492651 0.0248182311 -0.0950713201 -0.1402433747 -0.0945582098 0.0197975617 0.1069723217 -0.0304101845 -0.0236856212 0.0435870965 -0.0515377513 0.0130302761 0.0526572165 0.0011110244 0.2116291675 -0.0918393522 0.0396572291 -0.1043136817 0.1162249265 -0.0818585159 -0.0230727156 -0.0244022354 -0.0713088812 -0.1881914037 -0.0323480795 0.1025285282 0.1868090787 -0.1022053631 -0.0127118748 -0.1558627627 0.0048005428 0.0727509237 -0.0612716160 -0.0268818806 -0.0625916288 -0.4130983431 0.0370048747 -0.0372189648 0.0520479510 0.0026812212 0.1129204822 0.1249555812 0.0204895034 0.0629923470 0.0334660618 0.0123378498 0.1424682889 0.1047605772 0.0026245558 -0.1094397478 -0.0359506717 0.0038527371 -0.0141583575 0.0096913586 0.0430789078 -0.1596823451 0.1290578627 0.0474063401 -0.3563701818 0.0134182780 -0.0174366263 -0.0727067045 -0.0184908316 0.0039584616 0.1066286000 0.1552572533 -0.0471221618 0.1090191132 0.0124261909 -0.0181211846 0.0467986320 0.0181850388 0.0071848757 -0.0066700019 0.0707442290 -0.1116828918 0.0179561505 -0.0594162361 0.0087807762 0.0204382492 -0.0709734563 0.0129853094 0.0009916289 0.0142555567 0.0150503259 -0.0046114897 -0.0283835927 0.0316192541 -0.0079556596 -0.0495519686 0.0158762599 -0.0035171785 -0.0031683025 -0.0367124467 0.0146075453 -0.0695417642 0.0313906701 -0.0629296863 0.0576537379 0.0537678026 0.0818073259 -0.0292621025 -0.0120076967 0.0097928958 0.0028539816 0.0095958386 -0.0132656638 0.0960455208 0.1214489583 0.0157888002 -0.0830748204 -0.0330177578 -0.0600395757 -0.0487693483 0.0154105964 -0.1228494137 -0.1429380249 -0.0144678543 -0.2297944483 0.0344187556 0.0366914655 0.0156935460 -0.0310331196 -0.0087028394 0.0874638904 -0.1183768152 -0.0007454553 0.0211642057 -0.0162896621 0.0312925764 0.1367065853 0.1156942604 0.0430280608 0.0227395595 0.0476899858 -0.0186169502 -0.0606585203 0.2524415798 0.1027015826 -0.0796146346 -0.0176516549 0.0074853310 -0.0014821270 0.0036633192 0.0148607517 0.0019946148 0.0430588433 -0.0090788177 0.0095441385 -0.0617922455 0.0444491871 -0.0212820585 -0.0089924998 -0.0115500896 -0.0209189882 -0.0411083927 -0.0063434317 0.0248242617 0.0367836035 -0.0309768652 -0.0079107148 -0.0503183402 0.0078535014 0.0190100088 -0.0333195166 0.0019907055 -0.0060142461 -0.1122975449 0.0001683331 -0.0066461261 0.0183689580 0.0002935506 0.0355464820 0.0441660924 0.0097699019 0.0129702920 -0.0032594523 0.0050378200 0.0585393074 0.0348547890 -0.0012497825 -0.0324104223 -0.0264093915 0.0034670154 0.0150628573 0.0008086310 0.0196069463 -0.0602672369 0.0421079289 0.0238882337 -0.1244527611 0.0043213501 -0.0088870588 -0.0003765965 0.0301873203 0.0217257858 0.0285613103 -0.0815432527 -0.0674116760 0.0077683064 0.0070589740 -0.0216566090 -0.0255719431 -0.0512339944 -0.0198778499 0.0151410657 -0.1976691391 0.3212869662 -0.0394028831 0.1806802101 -0.0414047832 -0.0444675365 0.1858959600 -0.0213214311 0.0003214923 -0.0399148038 -0.0430261862 0.0099421724 0.0862121372 -0.0956478472 0.0242620319 0.1242951523 -0.0347951624 0.0113875187 0.0088104742 0.1019611911 -0.0451501830 0.2296313135 -0.0767964690 0.1472743816 -0.1471163825 -0.1392830742 -0.2376707834 0.0680157737 0.0194139912 -0.0194565966 -0.0085932538 -0.0247668111 0.0328683208 -0.2902863081 -0.3621835969 -0.0417894983 0.0380903083 -0.0085340482 0.0439783023 -0.0282263936 0.0288351286 -0.0588980767 0.0236521850 0.0823878210 0.0457040688 0.1078463736 0.0903887097 0.1568207545 -0.0056058533 -0.0051085605 -0.0385675158 -0.0901567304 -0.0046562979 -0.0957368871 0.1288601833 0.0472729079 0.0219997438 -0.0633251573 0.0433097463 -0.0206499458 0.0836814184 0.1172887397 0.0847610993 -0.1831212636 -0.0993804674 0.0904422665 0.0139714957 -0.0675108475 0.0073569564 0.0702698092 0.0342623029 -0.0331246429 0.1709096472 0.0419155541 -0.0060309627 0.1628885020 -0.0221137379 0.0357621615 -0.1290312036 0.0783769878 -0.0237666711 -0.3905282487 0.0175696068 0.1628425154 0.0764753461 -0.0843070196 0.0310118493 -0.0086475951 -0.0807194723 0.0314525432 0.2636070395 -0.0155844016 -0.0900493932 -0.1983991342 0.0945381493 -0.0554078142 -0.0054601510 -0.0054270048 0.0192483558 -0.1714754498 -0.0221471258 0.1056381555 0.2599476166 0.0267276953 -0.1259406503 -0.0045005981 0.0436737190 -0.0324835875 0.1797839356 -0.0528227703 -0.2881561061 -0.0305339291 -0.0948267107 0.1886330860 0.0185929587 -0.1334905598 0.0489160950 -0.0041394532 0.0184718169 0.0091590779 0.0612517670 -0.0662037067 0.0195695700 0.0539824777 -0.1188095920 0.0115575780 -0.0003614554 0.0095666819 -0.0046387272 -0.0249477213 -0.0021424989 0.0012836780 -0.0727104194 0.1158980398 -0.0074506180 0.0657259130 -0.0203555081 -0.0090564888 0.0425255628 0.0182037104 0.0052883444 -0.0062669121 -0.0161237931 0.0027826915 0.0559214305 -0.0351780329 0.0010471896 0.0302384153 -0.0162683082 0.0021578299 0.0115402151 0.0300630295 -0.0117177950 0.0845495905 -0.0106067692 0.0234208994 -0.0163399096 -0.0284952897 -0.0803987210 -0.0010417861 -0.0054059789 -0.0008845313 0.0036963389 -0.0034876487 0.0091980181 0.0245089654 0.0156969355 0.0063630338 -0.0052232898 -0.0299103562 0.0479584169 0.0290303023 0.0740472251 -0.1048901546 -0.1001923980 0.0564957329 -0.2057680605 0.2519226990 0.1425315932 0.2402478097 -0.0245010827 -0.0063685189 -0.0110900049 -0.0786779750 0.0006949150 -0.0584681190 0.2675720384 0.0810041728 0.0905608864 -0.0272902522 0.0402044757 -0.0668994567 0.2866238809 0.1313599700 0.0721289537 -0.1936065171 -0.2201376756 0.1022148393 0.0154174285 -0.0155730809 0.0060854111 0.0317461276 0.0472636503 0.0317821449 -0.1089034702 -0.0745020921 -0.0163814591 0.1241624486 0.0943451973 -0.1074851601 0.0052360810 -0.0117094319 0.0387699135 0.0741672654 -0.0271778170 -0.0792488053 -0.1627272467 0.0510642440 -0.0066909990 -0.0583685097 -0.0085189034 -0.0419090954 -0.2426957637 -0.0663308698 0.0162948634 0.0046982688 -0.1183334463 -0.0099800697 0.0127080431 0.0010503042 0.0383013855 -0.0088648159 -0.0061860146 0.0577746770 -0.1751912578 -0.0273207053 0.1344470967 0.0717264132 -0.0084788254 -0.0220475073 -0.1647840298 -0.0150714136 0.1302081050 -0.0874334469 0.0428089462 -0.0765968660 0.0955682948 0.0701927589 -0.3436506710 -0.0105168333 0.0142212173 0.0047807584 -0.0044253927 -0.0115562652 -0.0499755282 -0.0151705297 -0.0366969226 -0.0555721197 0.0142835923 -0.0203316059 0.0299600960 0.0145870621 0.0038216164 0.0022104135 0.0463432941 -0.0844531803 -0.0045959044 -0.0586862419 0.0283967634 -0.0014732396 -0.0217234955 -0.0210974331 -0.0058541230 0.0036489918 0.0081244314 -0.0029452597 -0.0556018331 0.0208013830 0.0057145881 -0.0033917200 0.0116241236 -0.0013434353 -0.0065192878 -0.0200190468 0.0036471569 -0.0781078282 -0.0042546425 0.0045059599 0.0200920875 0.0207170350 0.0361710847 0.0076139022 0.0136864572 0.0023160074 -0.0056677575 -0.0003381801 -0.0052334869 -0.0471392401 -0.0461885805 0.0027619135 -0.0039966850 -0.0013430217 -0.0025044878 0.0006298384 0.0000062555 -0.0049578564 -0.0087072905 -0.0038513747 -0.0183180147 0.0055564312 0.0096297912 0.0099957802 -0.0008904005 -0.0012459930 0.0044404736 0.0066728554 0.0031776568 0.0027852867 0.0054151555 0.0040316332 0.0107292444 0.0027321453 0.0021194048 -0.0019888859 0.0178576995 0.0024910082 0.0011762156 0.0083437753 -0.0156967937 -0.0020587698 -0.0127082420 0.0190113364 0.0051699802 -0.0002547913 -0.0144004271 -0.0024341208 0.0469103784 0.0092576010 0.0115756880 -0.0734428365 0.0051753915 0.0016586553 -0.0180835832 0.0049427639 -0.0228514997 -0.0482743813 0.0248782984 0.0537031366 0.0444128686 -0.0531262824 -0.0061872921 0.0078672485 0.0034647359 0.0190340090 0.1093995399 0.0475860360 0.0073437094 -0.0408474180 0.0299671623 -0.0028515853 0.0003207275 -0.0026685443 -0.0024325069 0.0003709116 0.0066708899 -0.0163914715 0.0903732734 0.0176669329 -0.0386592286 -0.0200551773 0.0059606686 -0.0024834974 0.0701472446 0.0046032659 -0.0658691794 0.0350307260 -0.0170773820 0.0242479884 -0.0265791925 -0.0286187830 0.1082970302 -0.0001114070 -0.0059308919 -0.0019493657 0.0535595977 0.0211831626 0.0117582537 -0.0782863019 -0.1062849075 -0.0174629618 0.0032845754 -0.0036571172 -0.0008942533 0.0561708761 0.0213604874 0.0187686201 0.1585247541 -0.2959030762 -0.0460356802 -0.2614066514 0.1508225432 -0.0279562846 -0.0441999934 -0.1391596804 -0.0401401440 -0.0014144349 0.0147544702 -0.0152304592 -0.3155212203 0.0645313718 0.0533492710 0.0557744659 0.0483802319 -0.0025704431 -0.0180195178 -0.0652708350 -0.0102533451 -0.3209735229 -0.0575457237 0.0907690274 0.0790130698 0.0752936813 0.0900556082 0.0672215162 0.0824084756 0.0133936480 -0.0290029328 -0.0160049084 -0.0163707875 -0.4451713785 -0.4556365871 -0.0187613023 0.0303461065 0.0251233389 -0.0409402043 -0.0954793314 -0.0771697798 0.0507350686 0.1401668985 0.0088140717 0.3004090873 -0.2497257799 -0.0946581041 -0.1716845184 0.0149305782 -0.0001686251 0.0077154082 -0.0433681303 -0.0115954348 -0.0112363574 -0.2812487186 -0.0625251164 -0.0642414519 0.0058267089 0.0051731418 0.0698707057 -0.3127043868 -0.0202525220 0.0167373911 0.1789628175 0.1835387052 -0.0847853600 0.0372170869 -0.0455494646 0.0488211334 0.0759572466 0.0189725419 -0.0025199854 -0.0762365019 0.0535500859 -0.0386002139 0.2498641511 -0.0293471294 0.0205881010 -0.0519622173 0.0366599226 0.0683605899 -0.0112647598 0.0061496893 -0.0463797051 -0.1861894413 0.0977000035 0.0324625377 -0.0341241014 -0.0525339803 -0.0575447926 -0.1474633548 -0.0814920010 -0.0102021521 0.0587080724 -0.0820448176 -0.0150810075 -0.0015542052 -0.0096835669 0.0200933303 -0.1839856729 -0.0225029879 0.1058456389 -0.0966480934 -0.0160934460 0.0809527318 0.0655449532 0.0145880014 -0.0088542208 -0.1279339707 -0.0552369111 0.0299939370 -0.1571287430 -0.0076741847 0.0634303891 0.1071163586 0.0032268552 -0.3514108833 -0.0099520495 0.0058928327 0.0697157749 0.0175548353 -0.0338223499 -0.0665737870 -0.0718425517 0.0210539812 -0.0634809379 -0.0252947182 0.0359631686 -0.0882607541 0.0081894229 0.0070846421 0.0042095483 0.0231352489 -0.0444443543 -0.0124629805 -0.0557226648 0.0364700955 -0.0097574518 -0.0053272196 -0.0310001074 -0.0101589507 0.0001170586 -0.0007527710 -0.0022271057 -0.0661644036 0.0108682147 0.0110920984 0.0238027323 0.0036156029 -0.0010638986 -0.0012641494 -0.0101084781 -0.0060219863 -0.0682129617 -0.0168018653 0.0281683823 0.0229393589 0.0147731338 -0.0041327597 0.0133256448 0.0199452880 0.0049596396 -0.0048029605 -0.0046521122 -0.0016656511 -0.0769097102 -0.0788421086 0.0065074889 0.0004045759 -0.0003115347 -0.0017742816 -0.0067506229 -0.0023727726 -0.0019495955 0.0031566144 0.0027657390 0.0078393409 -0.0026501079 0.0013411747 0.0000188112 -0.0017066303 -0.0014164134 0.0026879937 -0.0097155067 -0.0000455990 -0.0047066391 -0.0152671481 -0.0011631773 0.0026287257 0.0018645570 0.0045633605 0.0015273517 -0.0000906732 0.0051981715 0.0030882757 0.0139670918 -0.0029935504 -0.0051621921 -0.0035088913 0.0059982933 0.0053238347 0.0081079184 -0.0037026531 0.0050842799 -0.0057297221 -0.0062444789 0.0007009858 0.0078165065 -0.0026904940 0.0075797382 -0.0055017021 0.0111201957 -0.0016733849 -0.0032111684 0.0261375182 0.0255367649 0.0037579854 -0.0121882164 0.0005966623 -0.0037750509 -0.0089703555 -0.0002158107 0.0332902972 0.0107763253 0.0019870790 -0.0279961241 -0.0108098405 -0.0106037081 -0.0022689206 -0.0052547154 0.0066128401 -0.0372266027 0.0001145785 0.0113434798 0.0328922315 0.0076014709 -0.0000872927 0.0025378883 0.0059345549 -0.0077437858 0.0190115358 -0.0060284026 -0.0351455761 -0.0039928236 -0.0090343957 0.0164312879 0.0064087394 -0.0148613363 -0.0073853806 -0.0022351146 -0.0028525411 0.0076710241 0.0190972753 0.0067104683 -0.0033893007 -0.0939848108 -0.0564764158 -0.0215742666 0.0012666813 -0.0013830951 -0.0063387528 0.1163656150 -0.1139744076 -0.0258647403 0.1872391866 -0.1833155537 0.1192604040 0.2197903795 -0.2436281891 0.0971984595 -0.0101546678 0.0222923648 0.0408402531 -0.0812239317 0.1050393166 0.0346945948 0.1130513662 0.1156956697 -0.0605686712 -0.4131647523 0.0770734638 0.0326534059 -0.0728601600 0.0328356400 0.1402367592 0.1495318901 0.0136316407 0.0831074134 -0.3892065823 -0.1969499530 0.3602058806 0.1005791406 -0.0303331808 -0.1791855301 -0.0437126201 0.0294440083 -0.0056478829 0.0082857943 -0.0319961280 -0.3133978187 0.0727446493 -0.0033136014 0.0226518406 -0.1361123502 -0.0340460480 -0.0564527937 0.1333267628 0.1387159087 0.2941583602 -0.0528204457 0.0642624723 0.1048010176 -0.0661004593 0.0155570266 -0.0162404766 -0.4090769978 -0.1073369582 -0.0551795733 -0.0737738770 -0.0341302740 -0.0771242290 -0.0134026049 0.0583941164 0.0327456035 0.0038643779 0.0271975550 -0.0045279384 0.0169554628 0.0556212047 0.0088509719 0.0309465304 -0.0607278640 0.0066369442 0.0033922772 0.0857880426 -0.0254170798 0.0334094587 0.0058745438 -0.0258880221 -0.0812300849 0.1377443565 -0.1009369163 -0.0347356257 -0.0810881656 -0.0333278408 -0.2453262178 -0.2522058839 -0.1309223228 -0.0565788703 -0.0358775109 -0.0398696866 0.0088699784 0.0666328818 0.0318694364 -0.1707274819 -0.0594888104 -0.0340189581 0.0764448374 0.1022482835 0.0605041905 0.0346982268 0.0540854307 -0.0345903205 0.3899918116 0.0082376231 -0.0950376975 -0.1566953844 -0.0482979701 -0.0465742720 -0.0331195001 -0.0456241984 0.0424765055 -0.0656287331 0.0623480366 0.2098196863 0.0944915960 0.0601339937 -0.1426232570 -0.0744599768 0.1032181133 0.1639821790 -0.0037242990 0.0073052871 -0.0024627335 0.0256375999 -0.0533801982 0.0376536753 0.0693572173 -0.0950921581 0.0364973901 0.0272934470 -0.0408702927 -0.0491440447 0.0053716792 -0.0038802228 -0.0007475734 0.0085178639 -0.0095788154 0.0023652490 0.0024386965 -0.0053842775 0.0021507596 -0.0008549764 -0.0032694876 0.0001949519 -0.0046388349 0.0032985818 0.0021063770 -0.0072000045 0.0067141946 -0.0011351372 -0.0146207270 0.0015513438 0.0017254999 -0.0017604630 0.0020024542 0.0035949678 -0.0007170877 -0.0040837428 0.0125669243 -0.0113047024 -0.0079066958 0.0039604224 0.0072676693 0.0030262694 -0.0071594483 -0.0027749867 -0.0004347355 0.0001277167 -0.0204651300 -0.0230164232 -0.0155079094 0.0494912681 -0.0017385185 0.0143709550 -0.0908599467 -0.0260922071 -0.0326088810 0.0913026696 0.0911312428 0.2000659665 -0.0430715989 0.0389334806 0.0643723077 -0.0543436821 0.0096382241 -0.0044197555 -0.2963886596 -0.0796413514 -0.0282512044 -0.0853229705 -0.0343388791 -0.0573996263 0.0082625483 0.0258067408 0.0089293586 0.0171218135 0.0119603184 -0.0076246065 0.0500560818 0.0081314431 -0.0172151262 0.0158085439 -0.0311113123 0.0161448466 -0.0707924838 0.0159196990 0.0938759390 -0.2844421320 -0.1801963024 0.0186099353 0.0191323732 0.1195364797 -0.1628444211 0.1010789696 0.0161000645 -0.0299384828 0.2746737104 0.1856586066 0.1073299494 -0.0562985623 -0.1935563526 -0.0780346487 -0.0103031470 -0.0098004910 0.0024959391 0.1761129691 0.1261135134 0.0802748889 -0.3132495448 -0.2310724265 -0.1231058418 -0.0228004482 -0.0187814128 0.0899043608 -0.0079691808 0.0182955599 0.0297933159 0.1543649160 0.0303974730 0.0342800376 -0.0160122497 0.0072729626 -0.0915592496 0.2124149130 0.0386962404 -0.2082548836 0.1766143920 -0.0060275794 -0.1094802174 -0.0365535049 -0.0350128653 0.1801382422 -0.0062938758 0.0115825687 0.0378945821 -0.0184210302 0.0168157250 -0.0882818225 -0.0027891471 -0.0331985944 -0.0954509422 0.0194690758 -0.0258548257 -0.0353153553 -0.0065399037 0.0058186837 -0.0006552509 -0.0103085266 0.0148250517 -0.0014817152 -0.0048469079 0.0067534362 -0.0022151983 -0.0048415303 0.0073031706 -0.0002229828 0.0078437551 -0.0047376920 0.0003553429 0.0159591682 -0.0047946395 -0.0029709746 0.0153503770 -0.0096121158 -0.0018731805 0.0015548661 -0.0021233938 -0.0019594681 -0.0072980030 0.0061627807 -0.0118751807 0.0067465521 0.0032627655 -0.0036291834 -0.0062162904 -0.0022533025 0.0047231139 0.0033492617 0.0003486261 0.0005554269 0.0268136229 0.0279475660 0.0133981022 0.0676124150 -0.0084710351 0.0363794540 -0.1032262870 -0.0218395133 -0.0487943913 0.1028029033 0.1273068688 0.2226572712 0.0013398827 0.0815245276 0.1434142230 -0.0938807694 0.0196931206 -0.0158398579 -0.4384465645 -0.1275820600 -0.0214935404 -0.0562999892 -0.0472174737 -0.0975891213 0.0210158356 0.0187336289 0.0033906684 0.1457777207 -0.0643650507 -0.0935393331 0.0423126310 -0.0012473832 -0.0120454120 -0.0243612023 0.0441783181 -0.0292176087 -0.0532862156 -0.0401788719 -0.0445434177 0.0608714617 0.1268673017 0.0024801008 -0.1938684040 -0.0764801704 0.1029946212 0.0406270424 0.0482395667 0.0347369669 0.1516344451 0.1080001604 0.0253967006 0.2159841997 0.2098701385 0.0883547281 0.0153192307 -0.0324729303 -0.0196859243 0.0448007989 -0.0177765432 -0.0194084974 0.1626815282 0.0757181760 0.0403789483 -0.0358362609 -0.0403163995 -0.0279797522 -0.3521190608 -0.0202400513 0.0566833827 -0.0219460535 0.0163669834 0.0452438274 0.0404770876 0.0319235519 0.0167310753 -0.0857671681 -0.0734239571 -0.0376018686 -0.1824231724 -0.0359005062 0.1626989933 0.0872374597 -0.0602647495 -0.2599402289 0.0117040920 -0.0165587691 -0.0562506441 -0.0109540524 0.0419749897 0.0891273197 -0.0564074397 0.1396454570 0.1055202983 0.0442545535 -0.0639053517 -0.0004515233 0.0004005745 0.0004141922 -0.0001964551 0.0007608696 -0.0011067506 -0.0004835821 -0.0030285421 0.0006136456 0.0010581099 -0.0017337937 -0.0021995843 -0.0010915125 -0.0001024363 -0.0006268681 -0.0002364203 -0.0081927558 0.0011693580 0.0007374804 0.0008133479 -0.0002245204 -0.0000966304 0.0003456078 -0.0017786260 -0.0032868085 0.0062027736 0.0020884926 -0.0094567569 0.0043662619 0.0047372613 0.0016857876 -0.0000711467 0.0001017796 0.0043874718 0.0001799496 -0.0008031125 -0.0011063580 -0.0258019864 -0.0236576045 -0.0014230833 0.0216141382 0.0003231080 0.0235773905 -0.0049119388 -0.0023614165 0.0112373038 0.0251357980 0.0238102951 0.0472996083 0.0185322664 0.0241741338 0.0523002462 -0.0482739899 -0.0028368285 -0.0088463963 -0.1446776888 -0.0448255856 -0.0107290187 -0.0931537686 -0.0359434394 -0.0484052420 0.0416048502 -0.0226236151 -0.0265489380 0.1019993722 -0.0562255192 -0.0671760170 0.0682719721 -0.0417151012 -0.0403007310 -0.0290175066 0.0611469106 -0.0119197907 0.1070583737 -0.0529872062 0.0162562397 0.0724216818 -0.0286453631 0.0104261771 0.2553232509 -0.1249223613 0.0966306726 -0.0645826807 -0.0179213502 0.0220938408 0.0547347409 0.0501134095 0.0152419515 -0.2457323831 -0.0963463804 -0.0303410784 -0.0632083074 -0.0005963262 -0.0175843514 -0.0634297263 0.0253587669 0.0267427650 -0.1189002366 -0.0851898961 -0.0381142366 0.0744282549 -0.0004466021 -0.0170631089 0.1754180629 0.0251050628 -0.0929778311 0.2320101078 0.0356389039 -0.0794637130 -0.0294203960 -0.0008572165 0.0311252373 0.0248219035 0.0127973045 0.0155609401 0.0238941402 -0.0149158837 0.0447341506 -0.0398619826 -0.0045510670 0.1326830348 0.0060056500 -0.0111418702 -0.0147458381 -0.0440226074 0.0604925642 -0.0228124984 -0.1715981491 0.2878160133 0.0043004331 0.0064275948 -0.0042275887 0.0208672555 0.0460401460 -0.0036478028 -0.0352667185 0.1441806688 -0.1816234127 0.0777043737 -0.0252461867 -0.0787959590 0.0844408126 -0.1562545808 0.0699215711 0.0073648355 -0.0759444760 -0.0269273938 0.0507517165 -0.1761616327 0.0571733004 -0.0149017550 -0.3383739165 -0.0357213776 0.0522660831 0.0380965603 0.0533892354 -0.0562737568 0.1548486411 0.0335329526 -0.0685141288 0.1751457595 0.0834441885 -0.3071302867 -0.0074128560 0.0002501271 0.0231990864 0.0143580180 -0.0130215078 0.0191778032 0.0197745760 -0.0032526744 0.0666171933 -0.0173432198 0.0001084808 -0.0164483060 0.0100557193 0.0043766592 -0.0060676823 -0.0221870704 -0.0210947246 -0.0428723508 -0.0103372644 -0.0176417164 -0.0379447906 0.0370362266 0.0007141603 0.0061520892 0.1151392009 0.0368217577 0.0045754464 0.0673160301 0.0267640762 0.0370403498 -0.0308678893 0.0180903814 0.0185113596 -0.0739770628 0.0459065261 0.0520636333 -0.0579163312 0.0331502686 0.0336254796 0.0168727978 -0.0570872622 0.0058663934 -0.0865693620 0.0382683033 -0.0114646058 -0.0588185648 0.0207517625 -0.0068096762 -0.1828886220 0.0868009958 -0.0699425940 0.0519344404 0.0126399771 -0.0157501716 -0.0376392867 -0.0411344825 -0.0155930538 0.1797327474 0.0690359834 0.0212000274 0.0548075815 0.0014961682 0.0128552102 0.0538527827 -0.0162920541 -0.0160591539 0.0935436391 0.0591946478 0.0270662410 -0.0626843527 0.0017767098 0.0203950591 -0.1379262391 -0.0202705152 0.0816682056 -0.1951149130 -0.0307872259 0.0696651463 0.0223045522 -0.0004737230 -0.0309789238 -0.0092558303 -0.0060835394 -0.0197859768 -0.0057251582 0.0138793196 -0.0496305979 0.0283287288 0.0057271251 -0.0950516220 -0.0024324143 0.0113358047 0.0129482495 0.0248334777 -0.0468209794 0.0166562383 0.1430576676 -0.1840886027 0.0040446148 -0.0051450801 0.0050852040 -0.0147541725 0.0620729396 -0.0065072682 -0.0394675927 0.1842302824 -0.2397869658 0.0849501164 -0.0417411031 -0.0865981679 0.0974145590 -0.1858540338 0.0708635020 0.0077800833 -0.1049246774 -0.0355847653 0.0593090930 -0.2573623470 0.0646930211 -0.0045765463 -0.4173733602 -0.0312896638 0.0670315371 0.0569444697 0.0755195929 -0.0655734254 0.1781700673 0.0334100650 -0.0446946476 0.2091480249 0.0917103928 -0.3849430966 -0.0035892344 0.0060297745 0.0196084896 0.0188773391 -0.0195548883 0.0268172893 0.0042131079 -0.0155549362 0.0509528398 -0.0041343214 -0.0006166567 -0.0143565540 -0.0158289129 -0.0060768856 -0.0129760118 0.0017740479 0.0001996142 0.0058875827 -0.0250570310 -0.0088461524 -0.0237011583 0.0159769341 0.0027459052 0.0110977551 0.0364394892 0.0131211390 0.0094521927 0.0307236518 0.0118142304 0.0219619774 -0.0176324068 0.0099581228 0.0062629068 -0.0349339699 0.0309263838 0.0338172829 -0.0160237510 -0.0072692195 0.0084939531 0.0063403468 -0.0216740171 0.0083827779 -0.0762721801 0.0315950836 0.0375828286 -0.0231906896 -0.0893645973 0.0388056013 -0.1455218537 0.1188985105 -0.1071683163 0.0662530761 0.0554665521 -0.0225181993 0.1317832023 0.1661276766 0.1146745363 0.2893669579 0.1185696177 0.0432610345 -0.1357548955 -0.0493680868 -0.0002529456 -0.1669021507 -0.1377315584 -0.1308710720 -0.2013009686 0.0071419193 -0.0324228423 0.1221251203 -0.0284241517 -0.1338872982 0.1349923215 0.0229234561 -0.2205480310 0.4088501291 0.0677189184 -0.2035596410 -0.0054944674 0.0168309142 0.1324077119 -0.1609997810 -0.0577591199 0.1467176965 -0.1998533689 -0.0437781298 0.2681706283 0.0252808119 -0.0458938945 -0.0671963137 -0.0045593404 0.0096562010 0.0381062926 0.0084753226 -0.0168585238 -0.0435352965 0.1817944696 -0.2879642554 -0.0795512399 0.0019451656 -0.0022176813 -0.0128867103 0.0019562852 0.0040577557 -0.0036429920 0.0113643328 -0.0144027680 0.0053403406 -0.0096917348 -0.0005088085 0.0065048835 -0.0206230338 0.0115679128 0.0007234473 -0.0008117865 -0.0056332320 0.0053555637 0.0011387071 0.0006723069 -0.0034972500 -0.0180685834 -0.0102243535 0.0037887850 -0.0006838733 0.0048125804 -0.0023523773 0.0053009958 -0.0002382597 0.0022341491 0.0041717695 0.0016323949 -0.0218692274 0.0007375178 0.0004635408 -0.0018228046 0.0021148655 -0.0016522430 0.0030316220 0.0082085434 0.0069547364 -0.0014756044 0.0001787813 -0.0012012700 -0.0063249775 -0.0076705694 -0.0048286235 -0.0063142575 0.0034285394 0.0055121531 0.0091183840 -0.0168895979 -0.0001697677 -0.0047518329 0.0018054910 0.0003457355 0.0079701879 0.0063897874 0.0054464267 0.0030493110 0.0015258911 -0.0002836392 0.0068429520 -0.0029436167 0.0013974334 -0.0032981540 0.0079883871 0.0061565061 0.0046517035 0.0040416244 -0.0190062994 -0.0036032098 -0.0045102707 0.0116170686 0.0035701511 0.0096039379 0.0011753572 -0.0014762052 0.0055130743 0.0019470686 -0.0030042769 -0.0249281385 0.0103968504 -0.0038614017 -0.0066809863 -0.0123381006 -0.0047570196 -0.0079309310 -0.0145721802 -0.0077049742 -0.0085655349 -0.0112306721 -0.0054012775 0.0048384217 0.0108830027 0.0068316754 0.0335105125 0.0315486746 0.0175238651 0.0284188545 0.0263986719 0.0168637340 -0.0087143712 -0.0051672759 -0.0009037899 -0.0347024060 0.0000674537 0.0012245863 -0.0122343119 0.0036364060 0.0142614493 0.0040143247 0.0040752853 -0.0014488294 -0.0023289234 -0.0062485312 -0.0111940302 -0.0122149606 -0.0023741782 0.0112696014 0.0076638249 -0.0053466690 -0.0193186990 -0.0009686393 -0.0020060402 0.0030871221 0.0108376076 0.0006079948 -0.0041786929 -0.0030123314 -0.0466304017 -0.0141760204 0.0020442173 -0.0021728282 0.0003749953 -0.0283946861 0.1341423098 -0.0850524946 0.1305684430 -0.1307768176 0.1378816571 -0.1933676651 0.0237698110 0.1255647257 -0.4368206290 0.3376041788 0.0179377655 0.1512748467 -0.1044124412 0.1105026992 0.5210259290 -0.0138943050 -0.1667727877 -0.0952871174 -0.3168217498 0.0322710299 -0.1599147836 -0.0039565795 -0.0068148819 -0.0115928207 -0.0602862830 0.0111996746 -0.1049118229 -0.0226858801 -0.1675999370 0.0575006036 0.0081180854 -0.0499451148 -0.0061387600 -0.0093583599 0.0252703589 -0.0413121211 -0.1217024221 -0.0313489489 -0.0006191746 0.0513021844 0.1423181053 0.3076633288 0.0905188930 0.2847661721 -0.0574759793 -0.1489434848 -0.1629496777 0.2225094349 -0.0411894598 0.0359337559 -0.0901357375 -0.1036230261 -0.1216049758 -0.0453802705 -0.0089918785 -0.2353733760 -0.5114818940 -0.0861939273 -0.0989508572 0.1428617702 0.0086758371 -0.0329581679 0.0432674799 0.0008905017 -0.0598522631 0.1203983433 0.0984792345 -0.0343063830 -0.0114217879 0.0188538449 0.0116571230 -0.0186913750 -0.0154240088 0.0267167240 0.1302509025 -0.1205035907 0.0548776110 0.0230023263 -0.0089040836 -0.0092225716 0.0021276307 0.0189532129 -0.0303751958 -0.1482200739 -0.0460704887 0.0218292234 0.1628591541 0.0105607997 0.0145850647 0.0275344754 -0.0118646169 0.0236984884 0.0059103056 -0.0703776574 -0.0588536596 0.0418790814 0.0883187469 0.0262460456 -0.0253449891 0.0180805803 -0.0110596888 -0.0085720104 -0.0154143222 0.0330001146 -0.1295217878 -0.0288947057 -0.0035537232 0.0136796835 -0.0092087333 0.0027915814 -0.0457656008 -0.0022446649 0.0513732222 -0.0206669744 0.0156458807 -0.0291718876 0.0145402219 0.0225444399 -0.0621222381 -0.0040367241 0.0030622526 0.0412316636 0.0030254736 0.0042737105 -0.0617696158 0.1583525055 -0.2798134676 -0.1050037128 -0.0455291979 0.0443191205 0.0176454243 -0.0004020507 0.0027006542 -0.0010121683 0.0020407726 0.0030318763 0.0079160322 -0.0065571122 0.0008397493 0.0030424818 -0.0036939466 -0.0028516429 -0.0036049346 0.0025712477 -0.0020158743 0.0003314824 0.0000741310 -0.0004242368 -0.0005201222 0.0080227598 -0.0032514439 -0.0004021622 -0.0022097485 0.0006039502 0.0005904035 -0.0033895033 -0.0035076494 0.0077271935 -0.0026512725 -0.0004660169 -0.0011322970 -0.0006115261 -0.0002534334 -0.0018999923 0.0006911799 -0.0000207819 0.0007471176 0.0138637032 0.0111490718 0.0034557334 0.0034036294 0.0003318226 -0.0048628807 -0.0146980659 -0.0072133065 -0.0048878218 0.0100357166 0.0055940621 0.0201489051 -0.0170114802 -0.0014905766 -0.0064667850 -0.0029683249 -0.0008341221 0.0081188503 -0.0119430226 -0.0022449806 0.0043277632 -0.0192267490 -0.0043137802 0.0044124468 0.0039590977 -0.0033790402 -0.0110750571 0.0079192628 0.0119369909 0.0089691909 0.0179156554 -0.0310096592 -0.0134354255 -0.0030842210 -0.0025523140 0.0057046194 0.0675471747 0.0420027026 0.0235297498 0.0989018184 -0.1171685577 0.0143138201 -0.1506290637 0.1622569165 -0.1290707214 -0.0187386864 -0.1496236344 -0.0425093670 0.1062203737 -0.0913474374 -0.0745216668 -0.1724985459 -0.1680731941 -0.0863054936 -0.0233951905 0.1245730065 0.0670233395 0.2923014325 0.3635710676 0.2059620489 0.1614314920 0.2172782692 0.1475148308 -0.0342459487 -0.0914631194 -0.0505879324 -0.3112150187 0.0253312694 -0.1213367373 0.1399337513 0.0957404978 0.0930001924 0.0326946110 0.0628923292 0.0292210695 -0.0437117343 -0.0920997484 -0.1245739968 -0.1904812189 -0.0557496771 0.2525011982 0.0848508012 -0.1001247838 -0.1839844711 -0.0031107072 0.0043510168 0.0245891304 -0.0250900406 -0.0041453510 -0.0531314571 0.0724455057 -0.1048812550 -0.0681074174 -0.0002904123 0.0051077422 0.0007267482 -0.0052884138 -0.0245505468 -0.0026732394 -0.0271919216 0.0495116129 0.0151283529 0.0807452196 -0.0538129991 0.0023110942 0.0444874846 0.0065678660 0.0075444164 -0.0079730012 0.0288041659 0.0068403034 0.0209985066 0.0428905482 -0.0235029754 -0.0385524664 -0.0021568019 -0.0056005960 0.0096361098 -0.0206257958 -0.0152938440 0.0128833822 0.0306731205 -0.0994127808 0.0336058455 0.0219687132 0.0238643887 -0.0084209706 0.0087378569 0.0223618994 0.0009477451 -0.0002442543 -0.0052353003 -0.0061247437 0.0073299361 0.0289072208 -0.0322256121 0.0252740760 0.0724550588 0.2180054093 0.0783413942 0.1518411472 -0.0882719443 -0.1135247828 -0.1932981010 0.1675393362 -0.0326233252 0.0022946466 0.0096400093 -0.0464525045 -0.0880712413 0.1131994959 0.0345334759 -0.1387415308 -0.1023922381 0.0081984868 -0.0237278788 0.0156856501 0.0565070642 0.0628620795 -0.1244305192 0.0325957069 0.0183347535 -0.0820919870 0.2413537814 0.0866822513 0.0545552722 -0.0880028418 0.0063692253 -0.0023362431 0.0624090280 -0.0498760393 -0.2795019936 0.2200322827 -0.1071352894 -0.1505578776 0.0965903474 -0.0458248932 0.0216460836 -0.0353206285 0.0409557121 0.2433789377 0.0584090516 -0.0445866898 -0.2024816081 0.0109256066 -0.0208207312 -0.0500777852 0.0281477730 -0.0324784599 -0.0019319955 0.1259709559 0.0944896300 -0.0532909277 -0.1197412466 -0.0285837985 0.0379187152 -0.0416801371 0.0058870220 -0.0274311422 0.0259166493 -0.0718839566 0.2191290478 0.0554610242 0.0146378746 -0.0158541789 0.0228033543 0.0038829931 0.0543749299 -0.0110134533 -0.0867741295 -0.0016932125 -0.0318944356 0.0857839107 -0.0081007540 -0.0506129676 0.0583901742 -0.0020637495 0.0005172150 -0.0631467677 0.0131707615 -0.0531197872 0.1107541242 -0.1887032520 0.3332824271 0.1744617157 -0.0183900129 -0.0094762447 -0.0310136132 0.0070790387 0.0211560776 0.0069294511 0.0254634221 -0.0496561371 -0.0193531866 -0.0805100641 0.0581746208 -0.0078819157 -0.0284294239 -0.0236863760 -0.0098991149 0.0013287512 -0.0272137929 -0.0128130122 -0.0460052230 -0.0478153914 0.0340394138 0.0433740605 0.0185998429 0.0054511542 -0.0020396001 0.0258969279 0.0193425238 -0.0195072942 -0.0330928465 0.1215816527 -0.0346244590 -0.0318248990 -0.0335896718 0.0056122766 -0.0104744890 -0.0253839043 -0.0008866501 0.0001738702 0.0050443542 0.0109140144 0.0017688352 -0.0400812761 -0.0098844191 0.0086861434 0.0159174042 0.0596429272 0.0187092339 0.0427739922 -0.0208518787 -0.0344575367 -0.0471862113 0.0385643021 -0.0140341196 -0.0106534012 0.0053104598 -0.0156417044 -0.0202513010 0.0470959276 0.0124136972 -0.0343195439 -0.0309209161 0.0072751557 0.0074607703 -0.0028984642 0.0251360000 0.0207203892 -0.0275388786 0.0167979187 0.0101752062 -0.0246797466 0.0532802183 0.0274510929 -0.0061495769 -0.0094771378 0.0038460955 -0.0083889658 0.0047703259 -0.0215112840 -0.0742007926 0.0971963171 -0.0294853609 -0.0453205350 0.0070646468 -0.0017771871 0.0035024733 0.0199689007 0.0219125841 0.0419677112 0.0344476397 0.0016852186 -0.0170634211 0.0459231907 0.0169743439 -0.0061990031 -0.0170329032 -0.0242242645 -0.0555871087 -0.0349191269 -0.0126784560 -0.0302239985 -0.0714876679 -0.0332368379 0.0158546425 0.0077688983 0.0148862775 0.0452872067 0.0012036200 0.0133110871 0.0226094755 -0.0055025503 -0.0092121849 -0.0112922260 -0.0066746690 -0.0074181036 0.0275983182 0.0168194784 -0.0022355996 0.0416726813 0.0027028487 -0.0314580217 -0.0200588228 0.0064342650 0.0533697875 0.0027712320 -0.0001513802 -0.0062274853 0.0230501531 -0.0127205467 0.0271215618 -0.0123748492 0.0202527823 0.0332404605 0.0022640010 -0.0131184176 -0.0135952113 -0.0367033177 -0.0788930454 -0.0436166911 -0.0912642028 0.2025081297 0.1235727853 0.3378730979 -0.2627592856 0.0532663052 0.0784985286 0.1471897067 0.0423384372 0.0134626446 0.1136182075 0.0776522761 0.2684956468 0.2260390373 -0.1759861179 -0.2009841153 -0.1295566885 -0.0183533957 -0.0063928004 -0.1202176683 -0.0816546033 -0.0116752286 0.1209229111 -0.4712891039 0.1166230662 0.0961482912 0.1169438365 0.0077393802 0.0824408567 0.0911518371 -0.0053068201 -0.0135511032 -0.0208456550 -0.2327751032 -0.1755635032 0.0933024741 0.0267823629 0.0256152494 -0.0301943193 -0.0716962575 -0.0545207819 0.0385328010 0.0834676729 -0.0124602856 0.1360023480 -0.1477242964 -0.0487373724 -0.1083527658 -0.0294200590 -0.0474457099 0.0646656245 -0.0073031241 0.0230145296 -0.0291163546 -0.2058574131 -0.0297186275 0.0891924358 0.0313075611 -0.0005478447 -0.1090320789 0.1509335469 0.1098260469 0.0438723760 0.0782645704 -0.2670849007 -0.0762049069 -0.0363552505 0.0530120574 -0.0053596636 0.0072371767 0.0402374455 -0.1038298483 -0.0804169765 0.2629891560 -0.1059602117 -0.1540880998 0.0176923262 0.0163195929 -0.0130087735 -0.0226227238 0.0759117545 0.1540150959 -0.0003859470 -0.0875912326 -0.0975911873 0.1713968838 0.0539716697 -0.0275820941 0.0233412657 -0.0812547076 -0.1471625732 0.0591728538 0.0818647719 0.0872973836 -0.1484370385 -0.0250530070 0.0468765002 -0.0330703681 0.0610121710 -0.0161477881 0.0243244554 -0.0011801301 0.1361854245 0.0310109183 0.0893758068 -0.0404877789 0.0159481163 -0.0335081162 0.1397167298 0.0265757843 -0.1403795123 0.1059881858 -0.0272153171 0.0060508153 -0.0466023767 -0.0515226421 0.1525743076 0.0022214311 -0.0021430155 0.0200105463 0.0249817811 -0.0678748198 0.0439955713 0.3092820992 -0.4730214755 -0.0126934756 -0.0124172179 0.0354067612 0.0610491090 0.0025770567 0.0009522223 0.0028615686 0.0000003497 0.0007906969 -0.0058840183 -0.0129561203 0.0091806591 -0.0023732437 0.0024816742 -0.0136319825 -0.0028434568 -0.0031330984 -0.0032456993 -0.0055408146 -0.0216632345 -0.0086483582 0.0097660082 0.0100601575 0.0118533613 0.0002489646 0.0031938075 0.0087444815 0.0034546164 0.0068676345 -0.0096137611 0.0311126238 0.0001496848 -0.0015176319 -0.0126740844 -0.0044035740 -0.0092275740 -0.0033984947 0.0003547094 0.0017968317 0.0005305112 0.0368315079 0.0349505860 -0.0020731797 0.0287609884 0.0484361530 -0.0462764429 -0.0750200028 -0.0679621810 0.0824449173 0.1100871765 -0.0426661842 0.1761743382 -0.2249518717 -0.1004638676 -0.2082084542 -0.0171543061 -0.0826015398 0.0941293557 0.0127805325 0.0538271626 -0.0899969199 -0.2835819753 -0.0233281062 0.1711397486 0.0300546686 0.0357135602 -0.1499197224 0.1183125034 0.2770921861 0.1648156249 0.0011075297 -0.2866023148 -0.0453078130 0.0601233758 -0.1102548388 0.0202409749 -0.0243405953 0.0053745169 0.0485649693 -0.1225319014 -0.0627080313 0.0166672248 0.0091921820 0.0467145885 -0.0480817605 0.0273828937 0.0205974811 -0.0437669133 -0.0685690366 0.0113838676 0.0530919119 0.0315091922 -0.1077982704 -0.0432104914 0.0107115183 -0.0169048028 0.0492036012 0.1017979912 -0.0296344211 -0.0499822947 -0.0980715641 0.0581176207 -0.0013693204 -0.0269403694 0.0191098829 -0.0425156549 0.0148513214 -0.0140146769 -0.0095178763 -0.0600309734 -0.0158259766 -0.0699939626 0.0267442195 -0.0097924474 0.0243884818 -0.0929038976 -0.0191052103 0.0926531149 -0.0737425573 0.0162159308 0.0027774824 0.0309356436 0.0323148718 -0.0982706951 -0.0078130542 0.0146379304 -0.0775713475 0.0153085808 -0.0118529747 0.0288734597 -0.2854279555 0.4501663162 0.1004236853 -0.0307855446 0.0501795144 0.0783126128 -0.0015445116 -0.0054651388 -0.0037999044 -0.0068832104 0.0204000276 0.0098179036 0.0170692890 -0.0153761760 0.0010967479 0.0028595948 0.0117396166 0.0032105403 0.0005021613 0.0075851596 0.0066696895 0.0109685024 0.0182028943 -0.0111053403 0.0005290153 -0.0136232375 -0.0020005196 0.0017270484 -0.0075744123 -0.0039634831 -0.0292141642 0.0048939374 -0.0129997978 -0.0032512899 -0.0075112863 0.0068452914 0.0043347474 0.0120668511 0.0019672739 0.0002631622 -0.0031728818 -0.0000831336 -0.0448133229 -0.0349461197 -0.0086163095 -0.0150401518 0.1099411904 -0.0231335118 0.1168332394 -0.0213683075 0.2857028066 0.0675532972 -0.2124778588 0.0515809798 -0.1637260670 -0.1868862250 -0.3524501646 0.0289159220 -0.1483115696 0.0398997873 0.1263832364 0.1150941922 -0.2884096860 -0.0747608283 0.0998382239 0.3366178730 -0.0849978361 0.2362513611 0.0556314109 0.0388278676 0.2546211939 0.1179167526 -0.2037199877 -0.0466210903 0.1794226109 -0.0580111392 0.1036391770 -0.0367253127 0.0180437205 -0.0299273685 0.0068634669 0.1461898907 -0.0764308665 0.0371039241 0.1125072987 -0.0775445436 0.0514937864 -0.0206692567 -0.0066314053 -0.0013786127 0.0150213611 0.0170771715 0.0118184057 -0.0150925445 -0.0241855577 -0.0013348779 0.0089903895 -0.0016008891 0.0051458089 0.0186764467 0.0027522264 0.0047238360 0.0162742935 0.0234306309 0.0080103841 -0.0072189971 0.0062328062 0.0018873728 0.0048738951 -0.0028794340 0.0127121571 -0.0199376750 -0.0043069433 -0.0032141877 0.0016071516 -0.0035739683 -0.0023349189 -0.0023106330 0.0019799423 0.0069481493 0.0024452022 0.0050980265 -0.0159548653 -0.0007146035 0.0096186980 0.0011294207 0.0069346098 -0.0118762892 0.0195107167 -0.0248276896 0.0600618109 -0.0352729608 0.0331685925 -0.0782770429 -0.0628045539 0.0963818373 -0.2181593696 -0.0510031311 0.0028257132 0.0087606362 0.0068023192 0.0059633325 -0.0152465835 -0.0105494762 -0.0348212077 0.0251375930 0.0000437308 0.0008790480 -0.0304676005 -0.0092937731 0.0003217269 -0.0127586750 -0.0143795808 -0.0304859436 -0.0315164211 0.0225446492 0.0097271932 0.0267155130 0.0017915896 -0.0002149843 0.0093746658 0.0067918054 0.0541398820 0.0034656391 -0.0011915338 -0.0028049967 0.0045825494 0.0025055099 -0.0089125083 -0.0191571355 0.0021201808 -0.0017895257 0.0066939331 -0.0035458272 0.0630280155 0.0448819625 0.0273221661 -0.0011168198 0.0033536118 -0.0026928971 0.0011465203 0.0011031818 0.0039782068 0.0010095708 -0.0027728389 0.0032316843 -0.0124830264 -0.0106101461 -0.0192211672 0.0067362142 -0.0032496959 0.0047686186 -0.0108189186 0.0024665903 -0.0136939274 -0.0044516991 0.0027898214 0.0126893673 -0.0007228683 0.0071044392 -0.0054216850 -0.0357064177 0.0502058537 0.0452818250 -0.0338324613 0.0217914011 0.0163667333 0.0404845418 -0.0699900164 0.0176353011 -0.0127381467 -0.0079398391 0.0577627702 0.4123742146 -0.2788561412 0.1440170261 -0.1488299005 0.0711138503 -0.0357981531 -0.0171206877 -0.0079796921 0.0075958414 -0.1294486161 -0.1007180559 -0.0486709733 0.3027618423 0.2591376305 0.1060622551 -0.0239301166 0.0348294904 -0.0679978302 -0.3430263440 -0.0930075526 -0.0189675981 0.3011488051 0.0502109561 0.0739485020 0.0611305147 -0.0587933434 0.0660317073 -0.0568697723 0.0300454003 -0.0233777930 0.0392729997 0.0269342023 0.2084766671 -0.0523917570 0.0383049073 -0.0356340131 0.1647771978 0.0216012373 -0.2022050108 0.1182132421 -0.0478124946 0.0673265777 -0.0416860964 -0.1109339245 0.1365298464 -0.0055357912 0.0092802173 -0.0231119796 -0.0209754685 0.0415256829 -0.0461093699 -0.1220036821 0.2027326510 -0.0204268653 -0.0048269032 0.0020937971 -0.0017814961 0.0001951122 0.0004512927 -0.0009822757 0.0014521171 -0.0014427294 0.0005422655 0.0000985234 0.0002627935 -0.0010264658 -0.0037469600 0.0050679203 0.0011216876 0.0002520437 -0.0001146267 0.0018096526 0.0077971417 0.0003194674 -0.0021722170 0.0064461087 -0.0064319431 -0.0008983741 -0.0029106689 -0.0021106977 0.0001929537 0.0023196099 0.0010616491 -0.0078019824 -0.0068682449 -0.0024937115 0.0078952908 0.0018212229 0.0055038294 -0.0008238770 0.0018144158 -0.0021124850 0.0013202980 -0.0199190905 -0.0112763777 -0.0130628492 -0.0006695453 -0.0010214802 -0.0000394796 -0.0005680666 0.0020493717 -0.0046510315 -0.0024847201 0.0027520327 -0.0023206143 -0.0005469800 -0.0012862133 -0.0009364503 0.0036338018 0.0017333192 0.0009426851 -0.0073291216 -0.0014843632 -0.0005643720 -0.0082269207 -0.0020355407 -0.0032680258 0.0015436178 -0.0001952454 -0.0036590503 -0.0241997399 0.0252346742 0.0259897620 -0.0105632342 0.0109698767 0.0035478155 0.0159204429 -0.0375115574 0.0098941158 0.0459326003 0.0165373492 -0.0061945322 0.3381106633 -0.0900766858 0.0575774859 -0.4027453971 0.1646355444 -0.0868084955 -0.0772690105 -0.0320827840 0.0345815425 0.3793416454 0.2752743318 0.1044228803 0.0326873960 0.1516622767 0.0743917480 -0.0126336186 -0.0596577660 -0.0284046658 0.2571776313 0.1471585219 0.0935364268 0.0657476924 0.0452418748 0.0049524629 -0.0065571896 0.0914391720 0.0068092544 -0.0750934538 -0.0551204693 0.2560451021 0.1136789954 -0.0299960168 -0.2548239625 0.0060777203 -0.0776190216 -0.0010397040 -0.0409014226 0.0536999189 0.2030553080 0.0610127117 0.0580818141 -0.2238701333 -0.0335714912 0.1382150901 0.0111733791 -0.0028879377 0.0052588490 -0.0055759568 -0.0233556744 0.0099267296 -0.0238214030 0.0115442072 0.0000209073 -0.0229331215 -0.0028498460 0.0046684071 -0.0010144055 0.0019604384 0.0024679269 0.0023676851 0.0032920844 -0.0075016866 -0.0059001016 -0.0096160640 0.0095944312 -0.0028521692 -0.0019647219 -0.0066859465 -0.0010325273 -0.0026016117 -0.0033988692 -0.0025913138 0.0110986894 -0.0124453301 0.0031101433 0.0011752551 0.0038113043 0.0001899118 -0.0012310813 0.0022142775 0.0013610692 0.0238658946 0.0044733357 -0.0132234131 -0.0095611515 -0.0046122426 0.0055094072 -0.0024225634 -0.0001462344 0.0007383702 0.0020881929 -0.0009365431 0.0006498436 0.0018070354 0.0153150769 -0.0182156633 0.0023544698 -0.0017717535 0.0002442987 -0.0088058578 -0.0064767659 -0.0007571708 0.0017810364 -0.0012338986 -0.0009103103 0.0007369776 0.0086180394 0.0127753703 -0.0038291080 0.0003744591 -0.0014316075 0.0206393716 0.0015570896 0.0132458523 -0.0149285011 -0.0028341230 -0.0049467381 0.0021752364 -0.0008235492 -0.0023934828 0.0057511006 -0.0002826279 -0.0016517134 0.0053998807 -0.0032339711 -0.0038058802 -0.0080447309 -0.0065268566 -0.0048321494 0.0062623151 -0.0019290274 0.0013479690 -0.0347460406 0.0154652919 -0.0080403723 -0.0283512696 0.0122248514 -0.0066292860 0.0022923116 0.0050065555 -0.0010893013 -0.0217279976 -0.0089005813 -0.0017360980 -0.0062212624 -0.0095378747 -0.0037283994 0.0017280119 0.0007444755 0.0018263879 -0.0135660233 -0.0131721354 -0.0087409612 -0.0082409484 -0.0044970793 -0.0026043554 0.0007250246 -0.0031840465 -0.0008423548 0.0065067684 0.0024627353 -0.0119505087 -0.0121591289 -0.0003010788 0.0125271021 -0.0002754631 0.0034334042 0.0001297700 0.0011344747 -0.0020395225 -0.0079441140 -0.0026314259 -0.0025888549 0.0100929811 0.0012799842 -0.0058870666 -0.0000061906 0.0020930370 0.0021708822 0.0078107449 0.0039940277 -0.0069500445 0.0006980622 -0.0031087613 0.0187256774 0.0053746542 -0.0015422730 0.0046709350 0.0009239519 0.0370367255 0.0502244863 0.0625086154 0.0490050131 -0.1338959636 -0.1305590665 -0.1940901714 0.1972958979 -0.0436293701 -0.0114304497 -0.1925292158 -0.0305781607 -0.0505477087 -0.0626127884 -0.0495865036 0.3650159229 -0.2762144116 0.0452452040 -0.1879467330 0.1135768584 0.0239859471 0.0100326293 -0.0021301506 -0.0080074066 0.3994937696 0.2011276647 -0.4934518090 -0.2009153569 -0.1118244304 0.2249947056 0.0026521856 0.0379652879 0.0485649851 -0.0059001124 -0.0012716727 -0.0173603647 -0.1010366307 -0.0247508345 -0.0109312478 0.0145919997 -0.0937538606 -0.0054057198 -0.0607097287 -0.0230681993 -0.1859902040 -0.0271574741 0.1762250932 0.0158190835 0.0696454242 0.1476276168 0.2715858651 -0.0119068612 0.0389182663 -0.0006016069 0.5110538153 0.0830981082 0.2909875208 -0.5555082395 -0.1394039625 -0.2166100937 0.0015362391 0.0731230237 -0.0170040351 -0.1122231764 0.1903380729 0.1270427607 -0.0314286783 -0.0258423361 0.0252883240 -0.0068460983 0.0097583073 0.0022006924 -0.0028940536 0.0000682955 -0.0013027861 0.0254992498 -0.0135130466 0.0052718434 0.0208949696 -0.0121599147 0.0098568535 -0.0015097130 -0.0009651498 0.0000094102 0.0118831349 0.0078388800 0.0035385825 -0.0070858742 -0.0059945581 -0.0019511871 0.0016213135 -0.0003504281 0.0014158975 0.0003614352 -0.0035096688 -0.0025725835 -0.0008351678 0.0004231843 0.0004624691 -0.0014952570 -0.0011182804 0.0000640040 0.0110798155 0.0014176934 -0.0081804765 -0.0077435540 0.0000176731 0.0065774174 0.0003838114 0.0018590333 -0.0000416270 0.0000356034 -0.0019211271 -0.0049954936 -0.0028397343 -0.0004935676 0.0042962489 0.0011849775 -0.0020982577 -0.0002217370 -0.0003662615 -0.0002223515 -0.0102571726 0.0000161248 0.0071111732 -0.0009685423 -0.0036125045 -0.0047548463 -0.0034156271 0.0153869200 -0.0487457662 0.0053368110 0.0013494476 0.0005714429 -0.0091623548 0.0045743003 0.0117321147 0.0196188356 -0.0074283537 -0.0181961683 0.0169732864 -0.0191388323 0.0128645694 -0.0031192503 -0.0004529668 -0.0041428249 0.0034041141 -0.0552428375 0.0136067165 0.0035378076 0.0586217623 -0.0221653505 -0.0048905091 0.0043507351 0.0038117080 -0.0004495486 0.0218548284 0.0056176202 -0.0076351275 -0.0274502287 -0.0137637824 0.0324504444 -0.0018452653 -0.0048483137 0.0036670548 -0.0021574156 0.0030568179 -0.0026985081 0.0144837159 0.0070134632 0.0150400858 -0.0016377611 0.0083292770 -0.0005565703 0.0097362735 0.0017122739 0.0178960166 0.0026785583 -0.0139000948 0.0009604299 -0.0075276679 -0.0121258798 -0.0239090414 0.0008239020 -0.0044220441 0.0010687125 -0.0425831598 -0.0068655156 -0.0250323509 0.0538258992 0.0140990029 0.0237215533 -0.0002148877 -0.0073866204 0.0021677501 0.0304259014 -0.0281664208 -0.0231253636 -0.0084460139 0.0111059156 0.0037342693 -0.0023310659 -0.0036983279 -0.0058664856 0.0078590866 -0.0009007438 -0.0009695121 -0.0080855244 0.0022625305 -0.0051200701 -0.0371055286 0.0114477649 -0.0010174749 -0.0014071335 0.0030395134 0.0012476909 0.0006224064 0.0050395834 0.0024857330 -0.0132922148 -0.0091044807 -0.0023643979 0.0030728121 -0.0011926137 0.0018328507 -0.0049166901 -0.0097486245 -0.0053047226 -0.0117807114 -0.0058098930 -0.0045754918 -0.0002698235 -0.0013897481 -0.0010241354 0.0129954303 0.0022533094 -0.0118762000 -0.0176607423 -0.0016590689 0.0113715780 0.0001985972 0.0029103945 0.0000006738 -0.0004211325 -0.0018783074 -0.0058615719 -0.0035986045 -0.0020058276 0.0085690683 0.0012292982 -0.0040607284 0.0007380284 0.0010031801 0.0012528958 0.0068744859 -0.0025056397 -0.0034771656 -0.0002735577 0.0065356472 0.0057125846 0.0018886687 -0.0020390673 0.0062003939 -0.0015896577 0.0100179032 0.0154854288 -0.0801958307 0.0882573319 -0.0490737346 0.1214751002 0.0025237585 -0.1438894707 0.1215794628 -0.1810249138 0.1623225656 -0.0125967148 -0.0352803982 -0.0393610280 0.0470019636 -0.3558745329 0.0845912812 0.0190321169 0.5559838044 -0.2519367275 -0.0479965686 0.0478143148 0.0277921214 -0.0163840498 0.2052135257 0.0755528768 -0.1460801536 -0.3063001654 -0.1509458544 0.3918825934 -0.0109110484 0.0115927270 0.0330687644 -0.0066245779 0.0056497604 -0.0173499900 -0.0311604963 0.0199441043 0.0058299672 -0.0013035668 0.0009133818 0.0012222317 0.0024558160 0.0033127120 0.0000689769 -0.0027928800 -0.0025739923 -0.0053646549 0.0015861908 -0.0036484070 -0.0045232144 0.0033719304 0.0012899478 -0.0006307390 -0.0189561912 -0.0041147811 -0.0074595830 0.0042763993 0.0005231808 -0.0016408179 -0.0008186279 -0.0010710936 -0.0008619619 -0.0185103528 0.0095973554 0.0119693398 0.0104463609 -0.0076077859 -0.0068656308 0.0021325670 -0.0078154444 0.0022771220 0.0386393736 -0.0063402062 -0.0181446687 0.1345127121 0.0261585107 0.0068064582 -0.3158320576 0.1054597683 -0.0694813475 -0.0476952827 0.0277110881 -0.0009183992 0.2836662552 0.2973832325 0.1507599807 -0.1865658448 -0.1541042067 -0.0444569280 0.0461878300 -0.0497042718 0.0416118972 -0.0428458200 -0.2076732448 -0.1377120594 -0.0659902553 0.0119545395 -0.0080045391 0.0004241888 -0.0214391796 -0.0117671723 0.3424918305 0.0446349106 -0.2444882603 -0.4372227635 -0.0402311930 0.2870393602 -0.0038571156 0.0645380747 -0.0042886211 0.0154734601 -0.0314785697 -0.1448311886 -0.0501061409 -0.0442347794 0.1783698128 0.0198103050 -0.0949229308 0.0242701235 -0.0007892950 0.0013393442 0.0001220538 -0.0110909575 -0.0015858646 -0.0076056401 0.0223248318 -0.0170876268 -0.0099967751 0.0003962325 0.0008686738 0.0005974847 -0.0012076870 -0.0016319624 0.0025057177 -0.0046292775 0.0036799072 -0.0034769559 0.0039843541 0.0033043611 -0.0055506934 0.0088894671 -0.0034206824 0.0012685858 0.0025093568 0.0028905724 -0.0019148339 0.0060241505 0.0014650362 -0.0011455967 -0.0169537058 0.0104257971 0.0012959073 -0.0041439642 0.0001010143 0.0025114711 -0.0108343244 -0.0101566780 0.0209287653 0.0224500232 0.0127902618 -0.0291736288 -0.0017414437 -0.0028564634 -0.0024367568 0.0024108912 -0.0012220857 0.0019592624 0.0059383170 0.0153885450 -0.0196903972 -0.0017161782 0.0010007347 0.0016740107 0.0013176119 0.0056491182 -0.0033129093 -0.0050758545 -0.0023109928 -0.0097470766 -0.0005870953 -0.0070521182 -0.0086027907 0.0066569659 0.0029410292 0.0007652779 -0.0340842416 -0.0073647860 -0.0105337435 0.0016806195 -0.0004217240 -0.0030988440 0.0007201158 -0.0021228664 -0.0036854904 -0.0380901075 0.0265523935 0.0306845541 -0.0056070158 0.0026767527 0.0003060353 0.0112978274 -0.0240612719 0.0095674316 -0.0375111827 0.0088711523 -0.0234447194 0.3143180906 -0.1398170729 0.0595286518 0.0139875378 -0.0673056743 0.1062712772 0.0147699752 -0.0132708344 0.0844730598 -0.1316122952 -0.2162688912 -0.1439696395 0.0308239581 0.2308970715 0.0987246089 0.0186586356 0.0028462512 -0.0397029497 0.3070141224 0.2656342246 0.1681953456 -0.3543745263 -0.3919256698 -0.1924138232 -0.0434180697 0.0000393576 -0.0168965651 0.2930312856 0.0530211832 -0.2273940571 -0.1120694103 -0.0203656481 -0.0051366158 0.0210985252 0.0260015657 0.0200533603 -0.0415729722 -0.0500503192 -0.0435730564 -0.0909529440 0.0080674828 0.0694878119 0.0380601827 -0.0179298149 -0.0752965775 -0.0009424470 0.0023603759 -0.0115336846 -0.0053168470 0.0235626594 -0.0023817019 0.0155808285 -0.0317405346 -0.0074533230 -0.0011212949 0.0007964901 0.0011790232 0.0008907665 0.0006736897 0.0005385000 0.0019042447 -0.0037357772 -0.0021945039 -0.0012771921 0.0024748842 -0.0012502852 -0.0013887571 -0.0010364792 0.0000173984 -0.0021200385 0.0000738971 0.0002508279 0.0136603887 -0.0042060824 -0.0010453694 0.0036276087 -0.0017624411 -0.0006755758 -0.0020235115 -0.0014597888 -0.0001721847 0.0094349415 -0.0015785362 -0.0054669888 0.0004401836 0.0042652217 0.0067626218 0.0012830499 0.0042926528 -0.0002612948 0.0012403727 -0.0018522749 0.0007883928 -0.0159208867 -0.0049911764 -0.0134526611 -0.0321187521 -0.0017022393 0.0345138414 0.0641185624 0.0730163399 -0.0264234801 -0.0808254003 -0.0329692859 -0.1434233137 0.0845867182 -0.0354818256 -0.0161608940 0.0738134739 0.0417762483 -0.0283813319 -0.3191337439 -0.0686313887 -0.1290217535 -0.0220900628 -0.0321902619 -0.1245037844 -0.0397337042 0.0107348069 -0.0096218774 -0.5247740998 0.2171223908 0.2395459356 0.4398804840 -0.3984916917 -0.2447321789 -0.0081237828 0.0086392664 -0.0048704826 -0.0011749248 -0.0006730275 -0.0011653402 -0.0132870987 0.0047315775 -0.0037405236 0.0192363589 -0.0091051639 0.0051166452 0.0017928120 0.0005452616 -0.0033894475 -0.0026967722 0.0004542555 0.0019218828 -0.0067102008 -0.0137288448 -0.0065039058 -0.0013156724 0.0025894423 0.0018168527 -0.0169139864 -0.0103657061 -0.0077412636 0.0156574709 0.0144208120 0.0089778601 0.0014916496 -0.0002314092 0.0008415197 -0.0259267283 -0.0040030689 0.0173123000 0.0200677354 0.0030775075 -0.0077483184 -0.0004230720 -0.0029030225 -0.0009481106 0.0006075978 0.0027303445 0.0061051726 0.0036020118 0.0007027941 -0.0074176745 -0.0020842802 0.0040853500 0.0034750608 -0.0007508707 0.0013918695 -0.0104387375 0.0015797380 0.0003650307 0.0029097876 0.0014180025 -0.0000893893 0.0029062183 0.0273163886 -0.0278955051 0.0439011324 -0.0004930819 0.0021997125 -0.0017183515 0.0064053014 -0.0091056205 0.0079233073 -0.0002142590 -0.0033757258 0.0051852381 0.0013649766 -0.0007392314 -0.0032455630 -0.0015613269 -0.0022747801 0.0005601514 -0.0055100472 -0.0021152177 0.0015985825 0.0108515238 -0.0055706212 -0.0008063503 0.0025851874 0.0010698972 -0.0013969342 0.0102912637 0.0046149004 -0.0101625614 -0.0125543038 -0.0071972599 0.0146750576 -0.0009654774 -0.0002837295 0.0014887143 -0.0010471179 0.0011260782 -0.0009516760 0.0049676902 -0.0016767702 0.0123795324 0.0001915602 0.0001238659 0.0000839103 -0.0039761641 0.0020543485 -0.0053494617 -0.0018368697 0.0011125924 -0.0041865435 -0.0054661473 -0.0047550110 -0.0060230128 0.0035589828 0.0013972271 0.0029741822 -0.0152809429 -0.0039601388 -0.0007430286 -0.0069930892 -0.0008159441 0.0008810817 0.0033791341 -0.0021142903 -0.0033087442 -0.0089990882 0.0160086300 0.0187150955 -0.0379687169 0.0285356259 0.0183553431 0.0105647356 -0.0211331592 0.0080635918 -0.0187848720 -0.0126544984 -0.0441074760 0.3709606365 -0.0875280107 0.0518832004 -0.2643301187 -0.0012959314 0.0490333777 0.0571723784 0.0563823071 0.0476147239 -0.1190619627 -0.0857240669 -0.0294881657 -0.4664764353 -0.2664290815 -0.1114799645 0.0503384407 0.0595880427 0.0384145338 -0.2988829702 -0.1945413277 -0.1007586993 -0.2387543188 -0.1274220689 -0.0793007643 0.0031060730 -0.0189535731 -0.0164895398 -0.3308345018 -0.0346077207 0.1306589719 0.1950897645 0.0299102021 -0.0896400305 0.0170525151 -0.0232144772 -0.0156335087 -0.0674592828 0.0158685784 0.1012218908 -0.0611202102 -0.0162203996 -0.0095151808 -0.0122756044 0.0552855301 0.0876559628 -0.0011802561 0.0019611101 -0.0073639173 -0.0120776796 0.0187675312 -0.0062089452 0.0449332326 -0.0471973876 -0.0146550521 -0.0016171989 0.0000603287 -0.0018412095 0.0001157364 0.0002238360 0.0000790035 0.0019149916 -0.0048358914 -0.0016294145 0.0041449533 -0.0004229372 -0.0011761135 0.0012701234 -0.0008049880 -0.0003601907 -0.0021421811 0.0018049733 -0.0008086467 0.0083054593 -0.0012118254 -0.0011343007 0.0168996607 -0.0002662022 -0.0023212142 -0.0072280819 -0.0016826996 0.0042953155 0.0192228248 -0.0082556103 0.0036816333 0.0228115516 0.0214267234 -0.0124660958 0.0002589553 0.0029342767 -0.0009079256 0.0039870243 -0.0037442117 0.0020783851 -0.0209543643 0.0115288064 -0.0461684240 -0.0001405183 0.0020523080 0.0055733747 -0.0241465564 0.0139994194 -0.0290851929 -0.0144960965 -0.0088847242 -0.0404673740 -0.0172055988 -0.0281841723 -0.0316212737 0.0215483703 0.0074690243 0.0101822505 -0.0916616313 -0.0288237120 -0.0096255101 -0.0415891026 -0.0040342278 -0.0017562625 0.0079712555 -0.0138768140 -0.0123658547 -0.0081753484 0.0300158753 0.0437927231 -0.1114946714 0.0768067220 0.0489183612 0.0177305493 -0.0364315917 0.0299113867 -0.1158219782 0.0672277732 -0.0569375046 0.3590963142 -0.0964335594 0.0490437282 0.5813164959 -0.2039218537 0.1576135315 0.0138467029 -0.0323734905 -0.0061641560 0.3156226540 0.1763091622 0.0578403897 -0.1905642758 -0.1543648022 -0.0715833348 -0.0304372551 -0.0244194166 0.0074529071 0.0183815934 -0.0285837473 -0.0364347904 0.2296107072 0.1912193588 0.1175312596 -0.0173345853 -0.0023314841 0.0191018553 0.1185544087 -0.0076563069 -0.0194900198 0.0593124949 0.0239254295 0.0094203040 -0.0001536982 0.0026284245 0.0039300840 0.0307170864 -0.0153198155 -0.0446826508 0.0107831333 0.0192775543 -0.0276863882 0.0059313608 0.0075450582 -0.0363086430 -0.0001963090 0.0018821793 -0.0299691435 0.0011012716 0.0309905755 0.0307852692 0.0818768446 -0.1385146690 0.0157372475 -0.0072439687 0.0071559556 -0.0030424114 0.0046504291 0.0091104413 -0.0019584794 0.0299198441 -0.0467064891 0.0078930546 0.0043767791 -0.0102131400 0.0201643326 0.0029150852 -0.0253467722 -0.0148908585 -0.0292862913 0.0045303968 0.0051199591 0.1088747500 -0.0280002145 -0.0118338420 0.0781102884 -0.0264049046 -0.0093439196 0.0052924115 -0.0054571738 -0.0031213986 -0.0020000931 -0.0048793270 -0.0049305599 0.0055297746 0.0058163173 0.0210735843 0.0043335420 0.0104830687 -0.0008689966 0.0001423606 -0.0024997743 0.0003962003 -0.0342485434 -0.0258091382 -0.0064920768 -0.0001799940 -0.0010111516 -0.0066863640 0.0229507226 -0.0111228128 0.0245307743 0.0145741807 0.0115928016 0.0431801460 0.0119816281 0.0220211320 0.0216408079 -0.0176917547 -0.0047294061 -0.0057778439 0.0583530992 0.0193810619 0.0087118286 0.0444566111 0.0064703928 0.0067939887 0.0007173318 0.0051100950 0.0036971480 -0.0172151679 0.0046534137 0.0009840147 0.0513220173 -0.0246519768 -0.0233498858 -0.0028670182 0.0048299957 -0.0077474438 0.0106451180 -0.0089158270 0.0094371583 -0.0513942095 0.0332152435 -0.0025222659 -0.0375486673 0.0258156859 -0.0366446134 -0.0019721724 0.0020620146 -0.0020529397 -0.0330371711 -0.0180203302 -0.0053865519 0.0343691349 0.0203613241 0.0092229366 0.0007915861 0.0003945825 -0.0027140385 0.0053910880 0.0089385681 0.0076340780 -0.0056291296 -0.0077404919 -0.0057419759 -0.0012442250 0.0004403352 0.0005280567 0.0054147669 0.0024769237 -0.0053362421 0.0011763567 -0.0016229655 -0.0049116794 -0.0004132412 0.0000910502 0.0016886041 0.0023212785 -0.0019257469 -0.0032086559 0.0035398898 0.0028037088 -0.0036031365 0.0012681163 -0.0019392949 -0.0083632263 -0.0001114516 -0.0002137670 0.0056356044 -0.0002630642 -0.0046529200 -0.0027770142 -0.0116241207 0.0217277157 0.0001573818 0.0018128090 -0.0022140106 0.0023063008 -0.0245801338 0.0592646123 -0.0176310030 0.1728022521 -0.3338423006 0.1075817546 0.1926975996 -0.1441522330 0.1434447745 0.1868155230 -0.1917375932 -0.1259182902 -0.1097987851 0.0340136108 -0.0013361032 0.3214216202 -0.0765775107 -0.0403839377 0.4772650282 -0.0722397688 -0.0551078830 -0.0275671158 -0.0275027285 0.0576682243 0.0658482801 -0.0019495329 -0.0163336059 0.3130598469 0.1748843483 -0.2456935152 0.0068510058 -0.0038872910 0.0011824386 0.0139784787 -0.0116824846 0.0017909066 -0.0841743448 0.0962083322 -0.2730301201 -0.0017378276 -0.0028296312 0.0392333868 -0.1340721035 0.0742242346 -0.1798895502 -0.0928907697 -0.0420980316 -0.2493195460 -0.0603639450 -0.1275527392 -0.1165426494 0.1209819238 0.0318706979 0.0418264526 -0.3388817986 -0.1244246891 -0.0269095649 -0.4003535365 -0.0584256009 -0.0628868354 -0.0088428380 -0.0134911749 -0.0241282871 0.1104070023 -0.0410116274 -0.0438827104 -0.3408698207 0.1041249357 0.1669332251 -0.0025090421 0.0058477227 0.0057192340 0.0151656416 -0.0045801271 0.0077372602 -0.1015520618 0.0132619847 -0.0199534832 0.0217456711 -0.0085672039 0.0116759323 -0.0059906079 -0.0105543869 -0.0026574694 -0.0141995672 -0.0271980622 -0.0197624698 0.0810786096 0.0458420349 0.0228040437 -0.0159501824 -0.0032385161 0.0112866762 0.0828544005 0.0703888461 0.0476916684 -0.1318000508 -0.0339343002 -0.0356349212 0.0793720534 0.0143017868 -0.0411891440 -0.2315224965 -0.0159874216 0.1225764439 -0.2731103620 -0.0453548933 0.1297678156 -0.0089411722 -0.0004452446 -0.0379196430 -0.0623461591 0.0867370561 0.1258580741 -0.0233698606 -0.0984608513 0.1307756647 -0.0403162106 -0.0109059753 0.2116252194 0.0008610758 -0.0017020513 -0.0031710004 -0.0085334538 0.0115870265 0.0016599784 0.0218415352 -0.0415373400 -0.0060142801 -0.0021459710 -0.0025730131 -0.0115988328 -0.0021776609 0.0090228392 -0.0019824986 0.0282575966 -0.0422876207 0.0312888817 0.0089429880 -0.0151111839 0.0221424093 0.0364870620 -0.0318105088 -0.0195664781 -0.0175420681 0.0040880162 0.0013641064 0.0689213647 -0.0182787636 -0.0069356862 0.0439657413 -0.0109808346 -0.0054431026 0.0055559440 -0.0021876487 -0.0001902459 -0.0281450074 -0.0013319436 0.0114283546 0.0144844020 -0.0004209398 -0.0150976761 -0.0009161622 -0.0007211115 -0.0016846203 0.0006597700 0.0007376775 0.0008496226 0.0032972527 -0.0031976853 0.0052066657 -0.0013958821 -0.0021440468 0.0276560475 -0.0927167602 0.0515171916 -0.1246645679 -0.0646197722 -0.0307000072 -0.1738373351 -0.0393379689 -0.0877205180 -0.0791343136 0.0839694901 0.0213635094 0.0279027970 -0.2284841180 -0.0856104948 -0.0180595596 -0.2822145267 -0.0408056650 -0.0444015443 -0.0095653137 -0.0073732710 -0.0144461295 0.0904223098 -0.0417270360 -0.0466827479 -0.2170788964 0.0558800132 0.1064999917 -0.0053607141 0.0101235672 -0.0022069918 0.0329612007 -0.0268555189 0.0094338742 -0.0739844829 0.0574034631 -0.0110929674 -0.1754065063 0.0571369009 -0.0577848225 -0.0032295752 0.0233659954 -0.0027822610 -0.0737303507 -0.0090201488 0.0062726837 -0.0170023192 -0.0235175882 -0.0064907240 0.0318089370 0.0110804984 -0.0185991622 -0.1283824538 -0.0976893891 -0.0615893126 0.1459824971 0.0106662736 0.0257313475 -0.1129417493 -0.0200193075 0.0569476577 0.3151157195 0.0277783370 -0.1793407339 0.3864483828 0.0587240309 -0.1961495588 0.0110501038 0.0001801705 0.0581023733 0.0931783974 -0.1269754707 -0.1835055179 0.0440307111 0.1460894417 -0.1948425818 0.0593822720 0.0094249838 -0.3192672388 0.0006335479 -0.0010985228 0.0051176864 -0.0064700887 -0.0016160399 -0.0071551429 0.0033263295 0.0061239153 -0.0081327437 -0.0006512095 -0.0014046903 -0.0077136873 -0.0032307978 -0.0019187094 -0.0008046090 -0.0037308735 0.0081135529 0.0098644459 0.0016069178 -0.0002536279 -0.0053138480 0.0126932776 0.0059411825 0.0012775863 0.0081037690 -0.0006287317 -0.0067185213 -0.0515677919 0.0073020181 0.0088083748 0.0169353324 0.0110734981 -0.0025371036 -0.0143359146 -0.0022883864 0.0176409001 0.0515136340 0.0191347969 -0.0415657598 0.0396459569 0.0219061579 -0.0498044190 0.0003011912 0.0021331598 -0.0004252611 0.0044447623 -0.0036227776 0.0017993507 -0.0211752846 0.0226968305 -0.0626929660 0.0003152343 -0.0003429233 -0.0014452993 0.0019788103 -0.0009040180 0.0013843056 0.0024794291 0.0042013665 0.0078349094 -0.0008158830 0.0013085453 0.0006112818 -0.0025598910 -0.0001188228 0.0006870034 0.0055615567 0.0033841734 0.0014780459 0.0074046520 0.0001801953 0.0009657664 0.0030631119 0.0003436036 0.0002350815 -0.0119506806 0.0080190328 0.0095518129 -0.0162010220 0.0131745916 0.0104477546 0.0022139463 0.0081530994 0.0098173091 0.0183662049 -0.0089128936 0.0032466560 -0.0327138028 -0.0104492906 -0.0100801650 -0.0960672454 0.0178549851 0.0009866490 -0.0070626584 0.0054783716 0.0004605510 -0.0217747313 -0.0042176799 -0.0023753337 0.0126381298 0.0055889021 0.0060977204 0.0166842901 0.0095984622 -0.0006885138 -0.0511716415 -0.0345934759 -0.0178394520 -0.0136934565 -0.0280848246 -0.0139501711 -0.0215210100 -0.0053002713 0.0083949579 0.0367908364 0.0042575001 -0.0290666590 0.0763581631 0.0113042313 -0.0401670078 0.0037016516 -0.0003864889 0.0093422467 0.0077258042 -0.0237264662 -0.0266940281 0.0012205265 0.0246170712 -0.0323135466 0.0110129609 0.0011814334 -0.0502819466 -0.0010938147 -0.0020193870 -0.0078387173 -0.0045384657 0.0038525760 -0.0045468355 0.0024277245 -0.0118172086 -0.0087121612 0.0013134035 -0.0046695222 -0.0014604264 0.0103119521 0.0331182989 0.0007251392 0.0937879618 -0.1393479428 0.0556815939 -0.0056425143 -0.0345645859 0.0907475035 0.0520860238 -0.1238669781 -0.0611752028 -0.0846443080 0.0145451865 0.0439074838 0.4852154797 -0.0819692711 -0.0764645421 -0.0502200260 -0.0753803563 0.0100678209 0.1068530516 0.0166085541 -0.1161927262 -0.4639568066 -0.1385688409 0.3517742998 -0.2193468637 -0.1523801050 0.2423084871 -0.0192567673 -0.0235205730 0.0035231876 -0.0140880390 0.0192406334 -0.0046717560 0.1458957820 -0.0668512017 0.3073527592 0.0094763045 0.0011077863 0.0050023092 -0.0178022578 -0.0096139086 0.0029840493 -0.0133271400 0.0195389803 -0.0466303152 -0.0605896332 -0.0008640023 0.0029334770 -0.0093046623 0.0005383099 -0.0003937725 0.0063289566 0.0163997134 -0.0145921076 0.0431944058 -0.0071501007 -0.0100072705 0.0137427302 -0.0001145508 -0.0030552995 -0.0805059084 0.0296293003 0.0311264162 -0.0382516318 0.0085529744 0.0290041463 -0.0006060049 0.0019678291 -0.0019821918 0.0114718110 -0.0081260557 0.0051595420 -0.0478118492 0.0333275965 -0.0061553439 0.0117163571 0.0031097567 -0.0153953541 -0.0075388252 -0.0022952652 -0.0030304364 -0.0003466972 -0.0040986297 -0.0124827566 0.0397231240 0.0049591018 0.0097217785 0.0049029510 0.0030823179 0.0001485936 -0.0125198135 -0.0010129113 0.0070219679 -0.0147705137 -0.0024426278 -0.0082884942 -0.0018326707 -0.0005932355 0.0002178510 -0.0030552490 -0.0002609140 0.0003679111 0.0058958120 0.0011305131 -0.0028786708 0.0018569359 0.0003396746 -0.0025095829 -0.0120982321 0.0011421619 0.0088207576 -0.0053597072 -0.0045052514 0.0067287473 0.0008286686 -0.0039332380 0.0107851858 0.0000016121 -0.0006867229 -0.0017943107 -0.0108439023 0.0106610596 0.0008733932 0.0223362480 -0.0270619977 -0.0041199532 0.0018522644 -0.0079779508 0.0009243714 0.1039417728 -0.0764700367 0.0043316118 -0.1231208614 0.3711436743 -0.1507239127 -0.3610829218 0.1601586255 -0.1124608066 -0.4097363947 0.2278854058 0.1528813867 -0.0856979482 0.0272733560 0.0185617443 0.2717257383 0.0162940361 -0.1058123694 0.2351759053 0.0137199482 0.0003929044 0.0156749939 -0.0074562171 -0.0000515353 -0.1580796369 -0.0053299761 0.0590782917 0.0632311724 0.0039307467 -0.0913031821 -0.0168124900 0.0111531261 0.0217538076 0.0271532913 -0.0255635187 0.0059538830 -0.1405857388 0.1621327540 -0.3577996363 -0.0029075529 -0.0001834278 -0.0012456821 0.0082878681 0.0022374273 0.0023292519 0.0023385382 -0.0049269388 0.0105291509 0.0153378279 0.0015525642 0.0010581355 0.0034412030 -0.0006902213 -0.0005979390 -0.0016291617 -0.0052005103 0.0025499106 -0.0133936180 0.0021848316 0.0030498046 -0.0064057482 0.0001654414 0.0017797941 0.0337853468 -0.0134423380 -0.0138563553 0.0232417500 -0.0069655522 -0.0161696407 0.0013820113 -0.0010765987 0.0011620992 0.0002338639 0.0179513578 0.0079424826 -0.0555633742 0.0000489359 -0.0089662457 0.1381493675 -0.0111145910 0.0036062581 -0.0759215350 -0.0451750771 -0.0201432250 0.2074939728 0.1147143747 -0.0277068715 0.2818473651 0.0940888907 0.0786669103 0.0837952963 0.0453543698 0.0005125675 -0.2591395261 -0.1176305965 0.0021059263 -0.1102733323 -0.0455046124 -0.0811439764 -0.0911625711 -0.0222066001 0.0372946772 0.1538037324 -0.0304121546 -0.0343317075 0.2977360811 0.0897811280 -0.0744382933 0.0799738727 0.0134155386 -0.0938507801 -0.3896018419 0.0325762907 0.2704825073 -0.2807649072 -0.1539251897 0.2459347707 0.0220482998 -0.0447865525 0.3939815305 -0.0001653441 0.0001334245 -0.0005795490 0.0036660485 -0.0063168153 0.0038736551 -0.0095427597 0.0092489917 0.0078511676 -0.0009632198 0.0040566705 0.0000559247 -0.0036661812 0.0019521017 -0.0002324483 0.0019242858 -0.0090773104 0.0028500018 0.0129842991 -0.0056467151 0.0027533983 0.0118138443 -0.0064696301 -0.0044321752 0.0043044410 -0.0010974854 -0.0021661147 -0.0218253416 0.0005496548 0.0065547601 -0.0009764724 0.0006823485 -0.0012781493 -0.0031531694 -0.0013452695 0.0058983610 0.0166086674 0.0136513885 -0.0261834351 0.0039689786 -0.0022775381 -0.0123985937 0.0026002684 0.0019906454 -0.0022285101 -0.0016629618 0.0006621281 -0.0001880644 0.0011247901 -0.0135453120 0.0161330050 0.0819723793 0.0143738197 0.0570366524 -0.3056647149 -0.0089191471 -0.1581848754 -0.0525346291 0.0417451323 -0.3144747644 -0.3464578677 -0.1297392916 -0.1127711459 -0.0872521989 0.0025917981 -0.0084516944 0.1042252122 0.0932534815 -0.0246962393 0.3094899606 -0.0100239241 -0.0283498979 0.0935669169 -0.0208751327 -0.0253939167 -0.4323333473 0.1815505383 0.2130882737 -0.2167783099 0.1119361022 0.1508163026 -0.0017601674 -0.0030221066 0.0063755771 0.0209378609 -0.0020944028 0.0009189401 -0.1038604612 0.0011175728 -0.0306604509 0.0386730000 -0.0261771887 0.0436902115 -0.0327179324 -0.0150557869 -0.0075151321 0.0770249043 0.0314548928 -0.0379171846 0.1176046840 0.0054640592 0.0325869086 0.0290135541 0.0217484794 0.0126876956 -0.0763396582 -0.0468099443 -0.0166166714 -0.1060838962 -0.0585623068 -0.0436761598 0.0040769357 -0.0035519880 -0.0097502818 -0.0698612025 -0.0004933781 0.0103206744 -0.0038736165 -0.0039118784 -0.0075819606 -0.0088769949 -0.0018415778 0.0178991408 0.0377942769 -0.0223421453 -0.0426039894 0.0442493419 0.0344131331 -0.0517737925 0.0043697380 -0.0121745946 -0.0719857386 0.0008639213 0.0003649275 -0.0104048957 -0.0183555369 0.0270447818 0.0079715795 0.0477395571 -0.0859037682 -0.0060516648 -0.0034954238 -0.0213895149 0.0026414426 -0.0219797329 0.0123298358 -0.0002836917 0.0220919995 -0.0839430906 0.0151107991 0.0883175860 -0.0194617333 -0.0027687530 0.0764394563 -0.0149561992 -0.0161946511 0.0206992132 -0.0060853370 -0.0015902673 -0.0705144550 0.0008783836 0.0254068631 -0.0561467961 -0.0104065561 -0.0003151691 -0.0025500930 0.0044310238 0.0003108753 0.0121456642 0.0135369727 -0.0208383320 -0.0341222233 -0.0209189760 0.0120685806 -0.0009147536 0.0050575099 0.0024227323 0.0037922568 -0.0033417973 0.0011965148 -0.0272616927 0.0087608013 -0.0381592332 -0.0309723931 -0.0043758256 -0.0252879484 0.1244275452 -0.0014528060 0.0728422931 0.0268688888 -0.0128178499 0.1379387704 0.1324254018 0.0558831551 0.0458746229 0.0251568299 0.0005996814 0.0031008689 -0.0473863134 -0.0359464023 0.0133235867 -0.0747693141 0.0123698513 0.0197748719 -0.0215403573 -0.0015083693 0.0019108499 0.1068147358 -0.0188894819 -0.0155231692 0.0416244653 0.0078161955 -0.0412977239 0.0056337099 -0.0096673576 0.0074515312 -0.0020357500 0.0344853798 -0.0037817570 -0.0467978893 -0.0877428008 -0.0253685883 0.1559584540 -0.0535575405 0.0971901505 -0.0895523717 -0.0546344258 -0.0150170874 0.2870984491 0.1258251222 -0.0778740338 0.2847058328 0.0355751682 0.0856877183 0.0888651246 0.0681569486 0.0450517101 -0.2270912667 -0.1402801145 -0.0475124523 -0.3689381757 -0.1946951033 -0.1440920848 0.0300961233 -0.0100324770 -0.0420879981 -0.2750806795 -0.0015643577 0.0492893418 -0.0660608162 -0.0241116911 -0.0031969042 -0.0413771509 -0.0086414697 0.0729892206 0.1853256374 -0.0806188711 -0.1848760832 0.1792282063 0.1382928551 -0.2091273888 0.0084706664 -0.0260131480 -0.2878855733 -0.0004742821 0.0006274449 -0.0064101650 0.0013574655 0.0018342387 0.0083941578 0.0031156383 -0.0210532196 0.0084673929 -0.0007709469 0.0072131103 -0.0005649502 0.0080306920 -0.0056116116 0.0001873347 -0.0111229262 0.0300070978 -0.0163609319 -0.0239770069 0.0078279466 -0.0049193377 -0.0353906428 0.0108391776 0.0088979733 -0.0079544108 0.0031541545 -0.0029240202 0.0057654958 -0.0022505251 -0.0009481504 0.0483599811 0.0010156303 -0.0054311889 -0.0052489921 -0.0070527218 0.0133041100 0.0358528921 0.0175569897 -0.0426498723 0.0398831066 0.0161051589 -0.0335960437 0.0074140901 0.0004796627 -0.0102374826 -0.0074468221 0.0052684432 -0.0005737476 0.0311741293 -0.0517299283 0.0894799244 -0.0252937746 -0.0030962997 -0.0251059025 0.1031613318 -0.0105784674 0.0711358829 0.0294122346 -0.0124743987 0.1296775707 0.1127068051 0.0577025569 0.0463638033 0.0159118131 0.0037768744 0.0024573786 -0.0514368036 -0.0425115047 0.0335576497 -0.0441565037 0.0267787798 0.0331606863 0.0011035152 -0.0041618718 -0.0066232849 -0.0084252178 0.0256271623 0.0310013906 -0.0405395754 0.0275438591 0.0136513696 0.0020624509 -0.0043881992 0.0027516577 0.0077129871 -0.0008551935 -0.0000766209 -0.0365581607 0.0021763983 -0.0111304975 0.0481111601 -0.0203706030 0.0254660735 -0.0091237883 -0.0046426450 -0.0025091662 0.0253283032 0.0036297703 -0.0227895606 0.0376832442 -0.0131301601 0.0087620925 0.0044342059 0.0037831009 0.0028731583 -0.0145663313 -0.0043830655 0.0041856367 -0.0210947870 -0.0011879205 -0.0078320119 0.0030748339 -0.0003969412 -0.0028783868 -0.0201763698 -0.0005139349 0.0056979451 -0.0068753398 -0.0017974211 0.0019511091 -0.0027411151 -0.0004281194 0.0035225681 0.0090159480 -0.0030754666 -0.0081923822 0.0122109715 0.0061656209 -0.0101247890 0.0001829020 -0.0037655419 -0.0133857200 0.0002315832 0.0001008629 -0.0060584813 -0.0127367480 0.0168951171 0.0030573050 0.0363957793 -0.0477757936 -0.0047985381 0.0014578941 -0.0041812502 0.0009088335 -0.0391502044 0.0247540710 -0.0014405337 0.0411008159 -0.1034952699 0.0948748816 0.0866767032 -0.0412291148 0.0373601943 0.1722014217 -0.0643406553 -0.0490729823 0.0532341530 -0.0205796475 0.0092780125 -0.0849319965 0.0256743715 0.0067142114 -0.2516632036 0.0182447758 0.0323534577 0.0210522146 0.0338649806 -0.0416984609 -0.2174299594 0.0131277794 0.0813499035 -0.2366411556 -0.1629756169 0.0639575742 -0.0359122886 0.0198334444 0.0651131429 0.0488480295 -0.0436358456 0.0027426947 -0.2868235573 0.3179174326 -0.6595327291 -0.0578865903 -0.0052650682 -0.0696800813 0.2757484869 -0.0439885399 0.2181432092 0.0762534244 0.0027740015 0.3343905838 0.2323203902 0.1595257910 0.1225521779 0.0157216316 0.0205803657 0.0159477542 -0.1972072548 -0.0877441905 0.0531748045 0.0460671326 0.0606272101 0.0728609848 0.0713558271 -0.0490051958 -0.0496431045 -0.2935641156 0.2377148034 0.3047245266 -0.3395825042 0.2510582678 0.1558866271 -0.0016809026 -0.0072346618 0.0264275474 0.0371496047 -0.0257114791 0.0023930432 -0.1494556101 0.0365343007 -0.0394848550 -0.0632998451 -0.0148205974 0.0295008794 0.0064415974 0.0132645153 -0.0016987920 -0.0671788894 -0.0328070285 -0.0107036807 -0.0006570571 -0.0173193110 -0.0041581536 -0.0116928800 -0.0078363725 -0.0062618710 0.0325288307 0.0118757451 -0.0086583676 0.0603260360 0.0147783061 0.0227169976 -0.0068787519 0.0015904153 0.0077465639 0.0446490285 0.0024397253 -0.0120922851 0.0179329251 0.0028697862 -0.0076907281 0.0064825332 0.0014230633 -0.0101333175 -0.0296492515 0.0113846376 0.0290032577 -0.0219837900 -0.0199677390 0.0299055880 0.0007596155 -0.0007573185 0.0357242595 0.0009570974 0.0007578728 -0.0255250183 -0.0321436699 0.0492080669 0.0082074515 0.0831516329 -0.1493392932 -0.0183546210 -0.0027641600 -0.0207146832 0.0017254567 0.0041553606 -0.0037253648 0.0016008365 -0.0103707862 0.0064814324 -0.0348884028 0.0078735531 0.0079949166 -0.0151920930 -0.0343491034 0.0134558241 0.0100144502 -0.0051656535 0.0027514486 -0.0042466002 -0.0140573726 -0.0051080697 0.0095015689 0.0491246473 -0.0061391805 -0.0088017015 -0.0066344038 -0.0076183445 0.0179607544 0.0567111644 0.0251822115 -0.0599152076 0.0456591272 0.0158574299 -0.0418782238 0.0102094170 -0.0028241957 -0.0177241138 -0.0125053279 0.0100758313 -0.0007024915 0.0689424955 -0.0828120817 0.1644607045 0.0049909082 0.0014646014 0.0076320374 -0.0267796532 0.0112738379 -0.0300543963 -0.0032700833 -0.0068562458 -0.0226083863 -0.0098554551 -0.0230481086 -0.0203286812 -0.0028270149 -0.0035842977 -0.0052943282 0.0271937838 0.0015551445 0.0051612212 0.0000438275 0.0057546480 0.0055768732 -0.0171734501 -0.0003175176 0.0071203853 0.0836655956 0.0070831618 0.0202314689 0.0748632507 0.0332336588 -0.0600382023 0.0002652213 -0.0026412287 0.0180323219 0.0387895551 0.0567640437 -0.0295867281 -0.2800759063 -0.5658988803 -0.1629392106 -0.2237991923 -0.1840565030 0.5527568301 0.0107630822 -0.0035185626 -0.0175165461 -0.0620126027 0.0486481586 0.1499671892 -0.0727930817 0.1205793948 -0.0335757929 -0.0119736147 0.0031557755 0.0034904814 0.0608297826 -0.0391692836 -0.1221600753 0.1093780065 -0.0737544828 0.0521225144 -0.0069355800 0.0004987310 0.0016303507 0.0416180290 -0.0247203484 0.0253990744 0.0232110185 0.0310393620 0.0285674511 0.0023790229 -0.0009200094 -0.0062754920 0.0019979930 0.0148761698 0.0143730744 -0.0187361720 -0.0144258230 0.0199613387 -0.0041167512 0.0187291693 0.0157163943 0.0012176908 -0.0011888338 -0.0120980203 -0.0004707952 0.0077614457 0.0029001639 0.0180769923 -0.0475677995 -0.0050765340 0.0017767713 -0.0000036099 -0.0016088283 0.0005203471 -0.0021243465 -0.0036800847 0.0046420098 0.0189521898 0.0380192425 -0.0310662608 -0.0036391911 0.0113057508 0.0206548961 0.0030008777 -0.0025573372 -0.0026752576 0.0015892042 -0.0018902993 -0.0042877985 0.0028019610 -0.0023554643 0.0279329301 0.0047598521 -0.0009786576 0.0081578058 -0.0021465643 0.0219377293 -0.0965894637 0.0929346730 -0.0937625641 -0.0212695594 -0.0914450308 -0.1253031119 0.0022293826 0.0023258154 -0.0020597522 0.0002596286 -0.0008454617 0.0002501564 -0.0011501237 -0.0025500584 -0.0014670794 -0.0058472749 -0.0063539483 -0.0177711907 0.1034284497 -0.0154107202 0.0689672505 -0.0018827002 0.0879738186 0.0429058973 -0.0429446849 0.0462542794 0.0404782811 0.0051126920 0.0009203889 -0.0119016949 -0.0407845101 -0.1083525249 0.1441535491 -0.0360084028 0.1237959756 0.1413904465 0.0655782261 0.0483162208 0.0000019228 -0.4075539221 -0.2763218297 -0.4348049945 -0.2449131058 -0.4920894000 0.3197064410 -0.0043446472 0.0123398919 -0.0200143678 -0.0138037165 0.0201827921 -0.0053356004 0.0381029672 -0.0871294225 -0.0018875706 -0.0082031870 -0.0113500196 0.0506749450 0.0024879408 -0.0090728762 -0.0034151351 0.0046689707 0.0284988867 0.0632506801 -0.0349776122 0.0591195822 -0.0104441372 0.0030782428 0.0034191956 0.0022182094 -0.0032497668 -0.0112492599 -0.0166140350 -0.0025409816 -0.0173561055 0.0000502222 -0.0008884299 -0.0009644321 -0.0021824615 0.0001792948 -0.0092936121 0.0107480635 0.0039275380 0.0100441060 0.0114427749 -0.0002662933 -0.0005549131 0.0008013401 0.0063683833 -0.0010404791 -0.0048254270 -0.0048678844 0.0021539414 -0.0025790062 -0.0014816395 0.0072793595 -0.0019595266 -0.0003206797 -0.0024346933 0.0191512748 0.0209870550 -0.0329569725 -0.0048748163 -0.0498193597 0.0831900940 0.0096284863 -0.0078975979 0.0123698763 0.0007363414 -0.0014784496 -0.0008487957 0.0002220870 0.0040651780 -0.0152668264 -0.0026438025 0.0114203645 0.0097829468 -0.0173176751 0.0058518249 0.0190205779 0.0073328381 -0.0009165272 0.0024220843 0.0004545295 -0.0012638288 -0.0092772381 0.0145492882 0.0060776077 -0.0195685234 -0.0073564998 0.0065520406 0.0000320524 0.0096503573 -0.0651114571 0.0498407262 -0.0436081091 -0.0246052786 -0.0596099044 -0.0627398120 0.0027398225 0.0004918511 -0.0024359336 -0.0021740862 0.0008357233 -0.0002557553 0.0105235897 -0.0095689498 0.0198370552 -0.0052356833 -0.0032198118 -0.0083510340 0.0307617900 -0.0258479603 0.0538316275 -0.0082500418 0.0165871909 -0.0019812946 -0.0127397683 0.0394563889 0.0412583471 0.0073799911 0.0032616949 0.0162240717 -0.0219604854 0.0517868020 -0.0812099948 -0.0022403893 -0.0715945400 -0.0758800486 0.0084942440 0.0035052618 -0.0027116729 -0.0397635462 -0.0261249620 -0.0424392837 -0.0545030572 -0.0396335175 0.0482150277 -0.0000636493 0.0035473198 -0.0100870048 0.0072154967 0.0198569383 -0.0059850612 -0.0870891489 -0.1567833069 -0.0443175398 -0.0458077257 -0.0445476819 0.1454217481 0.0003735685 -0.0061460931 -0.0082403679 -0.0086645065 0.0235806833 0.0545119955 -0.0073962741 0.0540229939 -0.0072550221 0.0005529833 0.0022505607 0.0015780120 0.0045987101 -0.0119865689 -0.0247039384 0.0152054697 -0.0160566748 0.0069710376 -0.0023073609 -0.0001844495 -0.0012712700 0.0097638918 -0.0120286943 0.0133104625 0.0081429086 0.0138645788 0.0130943964 0.0001065352 0.0002845409 -0.0009170936 -0.0030398197 0.0018980242 0.0035190799 0.0019408685 -0.0024223597 0.0029516702 0.0003716813 -0.0033661156 0.0009060312 -0.0001035445 0.0009531176 0.0069800454 0.0045079439 -0.0096392141 0.0000621546 -0.0086671656 0.0243899807 0.0052377606 -0.0016723057 0.0015239428 0.0000533237 -0.0005141595 0.0053692490 0.0210328586 -0.0396516400 -0.0954598267 -0.2495066866 0.1955991764 0.0200159783 -0.0788610771 -0.1527301708 -0.0003746103 0.0263434108 0.0014177704 -0.0049542851 0.0092581842 0.0230305994 0.0320637199 -0.0439470163 -0.0407489441 0.0318879416 0.0217497829 -0.0381696980 -0.0015383573 -0.0718202506 0.3830300301 -0.3411980615 0.3215810799 0.1617047680 0.3908594023 0.4170437720 -0.0125284564 -0.0000799662 0.0153591946 0.0078479082 -0.0055449447 0.0001813013 -0.0547000676 0.0490873403 -0.0941897320 0.0005892173 -0.0009256403 0.0009600278 0.0076259032 0.0055052989 -0.0050275720 -0.0025968906 0.0125905959 -0.0021040506 -0.0087837718 -0.0044713713 -0.0033879772 0.0001567305 -0.0018244382 -0.0026116549 0.0092308437 -0.0063588567 0.0115537456 -0.0081192616 0.0099909333 0.0117854436 -0.0018329483 0.0069969788 0.0033359503 -0.0049059845 -0.0292969732 -0.0440401062 0.0117674415 -0.0465696198 0.0065326338 0.0058098490 -0.0089454127 -0.0004162452 0.0111139192 0.0138559190 -0.0119053411 -0.0686115293 -0.1666188173 -0.0484839127 -0.1064363925 -0.0485788175 0.1687417228 0.0010504588 0.0447245576 0.0232801673 0.0819029368 -0.0794057514 -0.3003593401 0.1037515110 -0.3242756418 0.0351411724 0.0115422327 -0.0596057699 -0.0303573068 -0.2005039904 0.1291497709 0.4444815738 -0.1474361242 0.4738115366 -0.1017190032 0.0091550601 0.0070679491 0.0248592344 -0.0299435339 0.1162178596 -0.1388021034 -0.0526334070 -0.1320195388 -0.1434042227 -0.0021292207 0.0177800229 0.0012008057 -0.1443258843 -0.0436018411 0.0250458230 0.1551632496 0.0123180885 -0.0263823543 0.0431566172 -0.2211949503 -0.0006489436 -0.0007482863 0.0000844233 -0.0015943981 -0.0045016860 0.0086714207 0.0033596293 0.0083544476 -0.0258529005 -0.0000463343 -0.0004190386 0.0022655388 -0.0000949830 -0.0005052376 0.0001413754 0.0019220812 -0.0026637497 -0.0132656696 -0.0250453935 0.0230441961 0.0040408747 -0.0124363099 -0.0132987576 0.0053838614 0.0045562122 -0.0007689299 0.0014111596 0.0005156025 0.0007370485 -0.0020607322 0.0041935026 0.0043269547 -0.0069954826 -0.0027386281 -0.0001950921 -0.0013250425 0.0015062236 -0.0019202275 0.0027934933 -0.0040076333 0.0059532001 0.0009552740 -0.0066183645 0.0006490809 0.0014133476 -0.0025627952 -0.0003591291 -0.0000231572 0.0006671735 0.0025974523 -0.0096132018 0.0136263253 -0.0093537694 -0.0071955647 -0.0138065632 0.0697609421 -0.0325181472 0.0830254086 -0.0148976472 0.0532094440 0.0099576692 -0.0300032424 0.0559463054 0.0589787477 0.0011844965 0.0058193919 0.0440514042 -0.0157218341 0.1831218312 -0.2539411367 0.0880168236 -0.2181633946 -0.2305413864 0.0146499877 -0.0000196298 -0.0032176757 -0.0514379540 -0.0275152038 -0.0406614359 -0.0848321754 -0.0259094247 0.0693476053 -0.0041311553 0.0070663534 -0.0069121700 -0.0048249336 0.0080071222 -0.0020367489 0.0032434012 -0.0372314763 -0.0039903791 -0.0043910548 -0.0060449333 0.0249564916 0.0024851374 -0.0046558619 -0.0028670954 -0.0043172241 0.0140970719 0.0384594477 -0.0195769952 0.0352638071 -0.0068698235 0.0052506669 -0.0031640585 -0.0016249952 -0.0279294615 0.0062562685 0.0396937779 -0.0244421999 0.0390141944 -0.0144448247 -0.0001177850 0.0001382098 0.0004648182 -0.0032734258 0.0035381143 -0.0042976495 -0.0011828957 -0.0043517449 -0.0056854239 -0.0003183060 0.0022667386 0.0008828088 -0.0191826228 -0.0089024903 -0.0002551004 0.0188811768 0.0044635586 -0.0072395501 0.0054780889 -0.0291117360 -0.0006397852 0.0005105598 -0.0001852236 0.0074406459 0.0092540776 -0.0130910113 -0.0020485455 -0.0190963640 0.0315682429 0.0035078046 -0.0020600320 0.0019162084 -0.0015397651 0.0055356240 -0.0110548847 -0.0336439021 0.0593414969 0.2330092516 0.4966785595 -0.4333687537 -0.0451347160 0.1840900385 0.3056622006 -0.0587327823 -0.0661665351 0.0000853902 -0.0223799391 -0.0144927214 0.0221817300 0.0690227861 -0.1357717131 -0.0140755194 0.1993849259 0.0663002289 -0.0127507640 -0.0025488531 -0.0084073476 0.1141849938 -0.0642360468 0.0403007164 0.0486501143 0.0907761475 0.0785567231 0.0024458261 -0.0061774639 0.0060187811 -0.0034740812 0.0045647347 -0.0044795306 0.0001972200 -0.0012421466 0.0022661336 -0.0008404420 -0.0093276640 -0.0033218760 0.0999576936 0.0033913868 0.0430191396 -0.0323940026 0.1238599192 -0.0242040274 -0.0989581883 0.0166593578 0.0264779299 0.0043416225 -0.0050287349 0.0116826116 0.0094851383 0.0588560025 -0.0880087414 0.0126969207 -0.0682200193 -0.0655387735 -0.0060878101 0.0130378518 0.0076291570 0.0126560364 -0.0627672246 -0.0898165297 0.0122465607 -0.0788638672 0.0173407521 0.0097772988 -0.0196599529 0.0091101715 0.0134434394 -0.0015172898 -0.0007632495 -0.0390935046 -0.0333189650 -0.0163499791 -0.0523265798 -0.0057734379 0.0465728072 -0.0307602325 0.0538521662 0.0336729432 0.1634135186 -0.1137627767 -0.4912015582 0.2635303817 -0.4590002173 0.0901827210 -0.0402729154 0.0123088451 0.0074744835 0.1740249595 -0.0394775665 -0.2443673755 0.1750403412 -0.2202028286 0.0984790292 -0.0021709053 -0.0000163141 -0.0061009540 0.0630130160 -0.0567746185 0.0621313949 0.0276520015 0.0660220779 0.0733566886 0.0038715097 -0.0135850349 -0.0063998601 0.1087862714 0.0456930691 -0.0040872528 -0.1329350378 -0.0232220938 0.0405471972 -0.0352936995 0.1821271052 0.0186845121 -0.0004879559 0.0016154479 -0.0088544656 -0.0134206551 0.0217272540 0.0046176152 0.0252366071 -0.0512930951 -0.0029248509 -0.0006859864 0.0046758363 -0.0020742677 -0.0011273501 -0.0066658616 -0.0022045313 0.0214356396 -0.0114529112 0.0602902425 -0.0343561823 0.0400436005 -0.0459877653 0.0614407643 0.0663800344 0.0225357394 -0.0012569079 0.0157779412 -0.0061829166 0.0027136753 -0.0869256151 0.1181729383 -0.0295273743 -0.1244075674 -0.0582042237 -0.0024679217 -0.0000881083 -0.0017587899 0.0228188309 -0.0137703281 0.0106561602 0.0145602189 0.0224688531 0.0115428989 -0.0005220937 0.0012807538 -0.0016389865 0.0003973611 -0.0006997641 0.0007481508 0.0001328172 -0.0043744216 0.0067530627 -0.0058396525 -0.0153001337 -0.0107271540 0.1702475995 -0.0147182237 0.1059425223 -0.0528068393 0.1887070149 -0.0347574362 -0.1490010469 0.0527956102 0.0690295048 0.0096030494 -0.0018925773 0.0354238014 -0.0191400776 0.1471436464 -0.2285863024 0.0426718507 -0.1872342934 -0.1911634195 -0.0043308172 -0.0004394104 0.0006920742 0.0398802306 -0.0103677041 -0.0085663407 -0.0203183639 0.0169224235 0.0085558956 -0.0016980837 0.0013479292 -0.0024182877 -0.0013437867 -0.0019809760 0.0001807814 0.0020414684 0.0171233499 0.0025161713 0.0185373125 -0.0011372450 -0.0132163629 0.0105869607 -0.0183333123 -0.0116544782 -0.0595779102 0.0379996008 0.1694537855 -0.0907099499 0.1589009220 -0.0311185810 0.0132090738 -0.0039814064 -0.0025535291 -0.0559262734 0.0130127029 0.0790798617 -0.0574050640 0.0704909009 -0.0325911116 0.0000794109 0.0004140625 -0.0005682083 -0.0125503415 0.0046914145 -0.0033204587 -0.0038640347 -0.0065401556 -0.0084289422 -0.0010406755 0.0053949758 0.0028366732 -0.0478080559 -0.0252937850 -0.0044474899 0.0461109139 0.0144705620 -0.0230316496 0.0132491362 -0.0722476240 -0.0005494011 0.0005456921 -0.0002916246 0.0020341227 -0.0007653179 0.0003901616 0.0004638000 0.0030568362 -0.0009207993 -0.0000485923 0.0004749899 0.0003371239 -0.0014228465 -0.0015884797 -0.0128512428 0.0025325777 0.0336007818 -0.0780099899 0.0080679786 0.0284027065 0.1020033164 -0.1494766856 0.0524939093 0.1695465822 0.0691671623 -0.0003934270 0.0595104091 -0.0139644899 -0.0057175471 -0.2995852907 0.4293827865 -0.0954033037 -0.4721643749 -0.2103784782 0.0040717219 0.0031740713 0.0034419018 -0.0458765182 0.0269101055 -0.0152144057 -0.0106942768 -0.0266767925 -0.0464155434 -0.0019420321 0.0040620656 -0.0011311728 0.0029272112 -0.0043046824 0.0022095543 -0.0077106778 0.0094172617 -0.0150665861 0.0000275481 0.0009773476 0.0004073520 -0.0109392735 0.0001493955 -0.0055512539 0.0036968616 -0.0137418353 0.0032687616 0.0116353631 -0.0022682097 -0.0033521681 -0.0004683916 0.0005567156 -0.0011497732 -0.0006513439 -0.0058803698 0.0091363196 -0.0018730986 0.0067467562 0.0064051672 0.0004784610 -0.0013321182 -0.0008871081 -0.0007188951 0.0074259374 0.0103752623 -0.0008656078 0.0089727398 -0.0024916314 -0.0004610799 0.0014085873 -0.0026703805 0.0001088959 -0.0023291454 0.0003092024 0.0015437855 -0.0038283304 0.0007572969 -0.0217284361 0.0024832454 0.0015707634 0.0068508354 0.0093280800 0.0073901640 -0.0225879935 -0.0278670695 -0.0390343860 0.0052906869 -0.0260417318 0.0052075227 -0.0011497369 -0.0169064748 -0.0116175177 -0.0235436415 0.0517542294 0.1166884966 -0.0622397780 0.0949823193 -0.0414499233 -0.0069204009 0.0063372343 -0.0677557320 0.2021499268 -0.3516045695 0.4258498892 0.1039102805 0.3760833335 0.4174069906 0.0055778127 0.0133414343 0.0223909238 -0.1985626523 -0.2509882214 -0.1947238491 -0.0520291358 0.1812553356 -0.2452750392 0.0121580278 -0.1606879726 0.1486132202 -0.0001283840 -0.0001081621 0.0018925679 0.0009195713 -0.0014091492 -0.0009140306 -0.0038000724 0.0056815392 -0.0003213085 0.0001298761 -0.0005853073 0.0003542800 0.0001077739 0.0008098672 0.0003121728 -0.0026118062 0.0007255968 -0.0082422379 0.0052203509 -0.0047279397 0.0050331891 -0.0078426851 -0.0077649835 -0.0025379386 -0.0000131251 -0.0016259892 0.0007647638 0.0000006341 0.0099583443 -0.0134759649 0.0044576687 0.0138484631 0.0065082406 0.0007345971 -0.0001141962 0.0010213791 -0.0076411373 0.0050860922 -0.0039574706 -0.0024953105 -0.0064474956 -0.0064832992 0.0002689190 -0.0002592412 -0.0004302218 -0.0002746091 0.0002923264 0.0000020387 0.0022264597 -0.0015152726 0.0034074315 0.0070921457 0.0082278451 0.0165453596 -0.0656181393 0.0767433027 -0.1489745655 0.0346487504 -0.0618755406 0.0471463834 0.0829783276 -0.0976642643 -0.1089550738 -0.0108010601 -0.0046624129 -0.0550807721 0.0141339573 -0.2341288016 0.3351300614 -0.0657649570 0.2921037500 0.3099403722 -0.0004632565 -0.0052150025 -0.0020527331 -0.0110833023 0.0446015373 0.0606793173 0.0532216235 0.0300713749 -0.0472298586 0.0019478409 -0.0012198329 0.0027893452 0.0033083879 -0.0000273534 0.0004385864 -0.0244162325 -0.0104711015 -0.0069762455 -0.0055220002 -0.0043972155 0.0137021907 0.0003259711 -0.0011677412 -0.0021804160 -0.0077748497 0.0023209795 0.0129882423 -0.0010284777 0.0135012833 -0.0017577659 0.0004404657 -0.0000579730 -0.0000146256 -0.0009311998 0.0003308778 0.0015243539 -0.0007459209 0.0019541379 -0.0006703087 -0.0001161341 0.0005606014 -0.0001301782 -0.0006099546 -0.0006226596 0.0020452766 0.0004621976 0.0005967042 -0.0005519112 -0.0001664813 0.0013634794 0.0000712510 -0.0138168674 -0.0045760501 0.0020011250 0.0129004285 0.0018134810 -0.0036969099 0.0034698365 -0.0196818312 0.0009795621 -0.0007507611 0.0006569772 -0.0035883652 -0.0022582306 0.0028225403 0.0006051285 0.0055137088 -0.0069883538 -0.0003536341 0.0003106170 -0.0019906714 0.0029032661 0.0057000170 -0.0235412338 -0.0188550251 0.0683230882 0.0846237948 0.3328306945 -0.2785829264 0.0850635213 -0.0375563901 0.2405854074 0.1476723419 0.0356732604 -0.0068140607 0.0282513341 -0.0184990800 0.0345042287 -0.1765649876 0.2159181727 -0.0743236009 -0.2118526668 -0.1090983903 -0.0183716988 -0.0005160681 -0.0242586896 0.1776360230 -0.1386300080 0.1226477580 0.0886382200 0.1745756522 0.1483602316 -0.0032524878 -0.0022005136 0.0049480426 0.0021517559 -0.0006237346 -0.0001311160 -0.0150017870 0.0113784240 -0.0236204007 0.0074075582 -0.0109734743 -0.0011670936 0.1376438557 -0.0046399116 0.0758366521 -0.0562182320 0.2014496537 -0.0788652497 -0.1991600568 0.0244651874 0.0411938343 0.0088161371 -0.0090975234 -0.0122840277 -0.0191373403 -0.0536303755 0.0385811573 -0.0217962579 0.0571213769 0.0699154955 -0.0101761533 0.0005581221 0.0034445827 0.0410241727 -0.0036384636 0.0014132491 0.0365350511 0.0055252140 -0.0282795768 0.0038704866 -0.0091957131 0.0097388109 0.0031190480 -0.0074788961 0.0007107068 0.0094979457 0.0456147129 0.0074605702 0.0150031651 0.0068999366 -0.0320324475 -0.0027981788 0.0003772081 0.0014438880 -0.0013668793 -0.0053488083 -0.0093280584 -0.0172134135 -0.0171684130 -0.0026073614 -0.0236389984 0.0217951189 0.0148376033 0.1528161410 -0.0498738529 -0.2459839670 0.1294433527 -0.2369808975 0.0820140865 0.0087661812 0.0195797081 0.0145764029 -0.0888827169 0.0779399476 -0.0362097230 -0.0197687256 -0.0861727706 -0.1284565816 0.0013020271 0.0367583334 0.0006121643 -0.4075420220 -0.1504932920 0.0425888302 0.3295275205 0.0667530064 -0.1259485714 0.0968943029 -0.5409670305 0.0617995973 -0.0000597457 0.0008563796 -0.0081328517 -0.0084203389 0.0135662421 0.0024297553 0.0213222844 -0.0333962916 -0.0032826249 0.0003130985 0.0013557216 -0.0004693307 -0.0049945250 -0.0014544156 0.0008871109 0.0115323886 -0.0316074730 0.0157026667 0.0105500552 0.0232934241 -0.0349256142 0.0342421664 0.0360924619 0.0131042303 -0.0020979951 -0.0129718966 0.0031317933 0.0032369810 0.0522783294 -0.0799662895 0.0202738837 0.0859430338 0.0399840461 0.0002196312 0.0003148246 -0.0008115160 0.0105454006 -0.0024026228 -0.0007637374 -0.0032593181 0.0003354687 0.0098565821 0.0008409909 -0.0011904734 0.0005827614 -0.0013403826 0.0010443913 -0.0010183161 0.0032608261 -0.0023388698 0.0058406845 -0.0165791853 0.0243623740 0.0035403776 -0.3120899324 0.0149530179 -0.1795006776 0.1265842673 -0.4532791147 0.1788091619 0.4499531628 -0.0602486572 -0.0979475804 -0.0204495428 0.0187395108 0.0290895070 0.0597527097 0.1361152958 -0.1000704573 0.0507344217 -0.1411388709 -0.1694862496 0.0194531267 0.0082454326 -0.0019946284 -0.0915657302 -0.0332078204 -0.0641632806 -0.0692923182 -0.0700282734 0.0744696094 -0.0032865580 0.0073402047 -0.0079875013 -0.0042790198 0.0057650943 -0.0011748695 0.0220668368 -0.0208151239 0.0034026682 -0.0088534224 0.0030033057 0.0055404656 -0.0044335228 0.0058138312 0.0049355747 0.0261429839 -0.0109908826 -0.0590127117 0.0196572384 -0.0595540014 0.0089243475 -0.0146288071 0.0106023864 0.0073401774 0.0846876917 -0.0263424933 -0.1331062915 0.0755378032 -0.1259940021 0.0465699583 0.0042034510 0.0087595839 0.0070707289 -0.0373598881 0.0354247304 -0.0170775308 -0.0091039784 -0.0389669231 -0.0570263179 0.0007923265 0.0151249178 -0.0005251683 -0.1704359242 -0.0608336305 0.0202392766 0.1362570285 0.0260538552 -0.0504075388 0.0400616607 -0.2242865250 0.0281555226 0.0003477930 -0.0006131271 0.0075275943 0.0079834017 -0.0131772724 -0.0028681995 -0.0195106038 0.0339947589 0.0027321146 -0.0008888304 -0.0008245835 -0.0007432878 0.0111510010 0.0049858690 -0.0013469997 -0.0301267691 0.0709674456 -0.0492500183 -0.0139001176 -0.0605376320 0.0871565021 -0.0897246682 -0.0954579422 -0.0343607569 0.0053002495 0.0252495581 -0.0058310056 -0.0097547255 -0.0987531054 0.1542707466 -0.0397385045 -0.1658069926 -0.0769031990 -0.0003498676 -0.0003119982 0.0018648652 -0.0218929022 0.0058253342 0.0003502350 0.0031229831 -0.0036983614 -0.0195423140 -0.0024185606 0.0025869725 -0.0015319651 0.0033663431 -0.0023368877 0.0024900747 -0.0071852288 0.0060319435 -0.0140783067 -0.0004063965 -0.0001826280 0.0006457852 0.0010172761 0.0059045055 -0.0086884377 0.0012222356 -0.0001601304 0.0051290534 0.0054510436 -0.0054518925 -0.0058303020 -0.0005773071 -0.0003101272 0.0003279570 0.0041887749 0.0031940776 -0.0018212718 0.0003986950 -0.0023825681 -0.0022401423 -0.0007354229 0.0015790195 0.0007861841 0.0010118231 -0.0049228570 -0.0078611503 0.0034045934 -0.0078890040 0.0003682055 0.0019197992 -0.0037029834 0.0003832246 0.0003071026 -0.0037323084 -0.0016814725 0.0147394440 0.0162209300 0.0040471489 -0.0049415995 0.0025313374 -0.0104118610 0.0002957638 0.0030483527 0.0049943365 -0.0024589245 -0.0104820364 -0.0188754986 -0.0135733648 -0.0193023144 0.0016379263 0.0129905256 0.0006514815 -0.0001325883 -0.0069315542 0.0067339058 0.0255463533 -0.0390299672 -0.0000844258 -0.0242115108 -0.0442381979 -0.0006615214 -0.0353909062 0.1552271865 -0.1762899775 0.1681838777 0.1229877853 0.2058919719 0.1515699333 -0.0415293962 0.0052179457 -0.0184861976 0.1188330820 0.3510139688 0.3544395524 0.4841493872 -0.2595069795 0.3115216590 0.0444556463 -0.1827146334 -0.3579383688 -0.0002173734 0.0002738629 -0.0010965826 -0.0030778604 0.0046760200 0.0011313039 0.0060071715 -0.0101808018 -0.0004584286 0.0000047236 0.0003310793 -0.0001174087 -0.0002938719 -0.0000194690 0.0000925669 0.0006501541 -0.0025260541 -0.0001581830 0.0016044092 0.0014754656 -0.0024485659 0.0012628539 0.0022615532 0.0008966563 -0.0001752226 -0.0006517885 0.0002410649 0.0002483563 0.0025536227 -0.0039686173 0.0017076156 0.0039387173 0.0019757359 0.0004015457 -0.0000490833 0.0005657138 -0.0031108862 0.0028210061 -0.0026939384 -0.0020300073 -0.0036995809 -0.0025788239 0.0001499464 0.0002799780 -0.0006795767 -0.0000807111 0.0000538038 0.0001710841 0.0008075679 -0.0025449029 0.0034540167 0.0193113105 0.0062949563 -0.0153727165 -0.0727136071 -0.1921053553 0.2617925629 -0.0428356251 -0.0043177166 -0.1941363262 -0.1922642709 0.1658408707 0.1811306978 0.0185190776 0.0004976878 -0.0206397227 -0.0632971505 -0.0997946999 0.0833348882 -0.0401939145 0.0961236112 0.0955100794 -0.0032429814 -0.0125610947 -0.0035141872 0.0083416411 0.0416313705 0.0694787031 0.0055736829 0.0622889415 -0.0277844675 -0.0088452254 0.0190530598 -0.0083572804 -0.0085437130 0.0102942461 -0.0010983748 0.0256980157 -0.0398207873 0.0034060881 -0.0146603426 0.0037679701 0.0122800231 -0.0017244735 0.0034082738 0.0028685688 0.0190239894 -0.0040250590 -0.0333746584 0.0157809619 -0.0311624606 0.0063527863 -0.0018952029 0.0003598347 0.0003658890 0.0085420528 -0.0014877461 -0.0108918066 0.0073881005 -0.0103292876 0.0043497074 -0.0004824643 0.0003785737 -0.0002681796 0.0022163028 -0.0017018556 0.0022769002 0.0016109752 0.0021190705 0.0007669588 -0.0008949703 0.0002862888 -0.0006451663 -0.0000932433 0.0073935225 0.0088473879 0.0127714909 -0.0058015810 0.0065965640 0.0014986402 -0.0072545020 -0.0067056707 0.0003025046 -0.0012312318 0.0092409024 0.0177222374 -0.0269784572 -0.0065816311 -0.0384376891 0.0619226754 0.0036624375 0.0001079807 -0.0015444762 0.0015162864 0.0279447992 0.0265323971 -0.0091281505 -0.0980288975 0.2716459189 -0.0756772119 -0.0938130950 -0.2678365817 0.3937113197 -0.2265473455 -0.4328408552 -0.1713700169 0.0232045494 0.0331919519 -0.0125409821 -0.0419163308 -0.0969444280 0.1780494036 -0.0898109001 -0.1666151697 -0.0864351660 -0.0081164233 -0.0015851922 -0.0007793312 0.0048076470 -0.0186021503 0.0218438509 0.0209075139 0.0276081241 -0.0045913641 -0.0012898346 -0.0017410931 0.0020584002 0.0015741791 -0.0009762878 0.0003935751 -0.0043696100 0.0160188250 -0.0226604827 0.0037836393 0.0093685905 -0.0145310276 -0.0909221099 -0.1343859932 0.1614735701 0.0018745697 -0.1055678811 -0.0706075200 -0.0108823006 0.1148274157 0.1165478495 0.0114916791 0.0143608036 0.0010976266 -0.1041691239 -0.0524055882 0.0228146307 -0.0243932234 0.0185502930 0.0064710336 0.0229980307 -0.0482354202 -0.0285802114 -0.0206729285 0.1790714168 0.2715860003 -0.1094124832 0.2687669971 -0.0198150360 -0.0615544701 0.1271986298 -0.0702414991 -0.0566907865 0.0596736725 -0.0063883486 0.1905458990 -0.2001796884 0.0327285834 -0.0613264445 0.0335767564 0.0357717464 -0.0065351420 0.0121560794 0.0143530087 0.0994521069 -0.0086213003 -0.1390392080 0.0566157764 -0.1295699940 0.0263678604 -0.0083485724 0.0023525389 0.0019532053 0.0358437191 -0.0074774770 -0.0493304573 0.0309733611 -0.0481365432 0.0193012395 0.0006762985 0.0014175050 0.0007253997 -0.0029301059 0.0037397813 -0.0002210859 -0.0005456168 -0.0036681312 -0.0064051832 -0.0018647062 0.0011359844 -0.0016902885 -0.0080913496 0.0129864682 0.0195237284 0.0323880971 -0.0110295536 0.0113567731 0.0046085078 -0.0246687333 -0.0102999655 0.0036387091 -0.0099819252 0.0704063743 0.1088957323 -0.1711238493 -0.0397388785 -0.2400754512 0.3941987932 0.0245050397 0.0024542970 -0.0151032319 0.0084384295 -0.0151987310 -0.0178087542 0.0044255889 0.0609594449 -0.1633262954 0.0453071509 0.0546340278 0.1673161362 -0.2448622285 0.1332855821 0.2805549861 0.1110859526 -0.0153455183 -0.0094975749 0.0076495741 0.0344389535 0.0189115242 -0.0494578513 0.0431712902 0.0298115318 0.0222707036 0.0114044935 0.0046801400 0.0003255529 -0.0758358940 0.0344711807 -0.0109286664 -0.0276921673 -0.0527392403 -0.0484786804 0.0035815829 -0.0136520655 0.0146516900 -0.0052391581 0.0048796564 -0.0075240482 0.0168321542 0.0387473879 -0.0285216494 -0.0235760020 -0.0307573406 0.0287261975 0.3980670155 0.3770310681 -0.3812373880 -0.0183831809 0.3810106077 0.2276197118 0.0082351497 -0.2829163408 -0.2880286123 -0.0204934035 -0.0081386879 0.0119365709 0.0047891931 0.0223337550 -0.0210821607 0.0598803735 -0.0114735365 0.0115022608 0.0165666378 -0.0149639796 -0.0126701087 -0.0076942172 0.0572519593 0.0830752697 -0.0530108916 0.0903330446 0.0078848990 -0.0190856869 0.0393926554 -0.0238958784 -0.0153092023 0.0163833965 -0.0014484120 0.0504819717 -0.0534300286 0.0087865523 -0.0148338317 0.0097842615 0.0083174383 -0.0013207048 0.0018890236 0.0029021585 0.0230492088 0.0001804504 -0.0265505269 0.0107944264 -0.0240613291 0.0053224736 -0.0017982280 0.0006745121 0.0004688288 0.0079988251 -0.0016178728 -0.0110560931 0.0068271242 -0.0109470528 0.0042806495 0.0004596088 0.0002606589 0.0002672034 -0.0019358189 0.0017486477 -0.0007960180 -0.0011128964 -0.0018598751 -0.0017766405 -0.0002610627 0.0001921884 -0.0002364698 -0.0018351158 0.0010037079 0.0019862282 0.0043114180 -0.0009633810 0.0007530813 0.0006567720 -0.0039367124 -0.0004340365 0.0011917691 -0.0031402005 0.0222545868 0.0304317070 -0.0499805436 -0.0113216745 -0.0683040810 0.1145145279 0.0070415273 0.0002084872 -0.0049639788 0.0037107596 0.0126652946 0.0131503630 0.0006309051 -0.0528821942 0.1038358561 -0.0816624199 -0.0085341650 -0.1153826963 0.1627863468 -0.1380012839 -0.2031713278 -0.0755256824 0.0092094116 0.0081487682 -0.0025476568 -0.0152781174 -0.0105118368 0.0317375227 -0.0284947511 -0.0250799416 -0.0142110197 -0.0011053011 -0.0003050918 -0.0003315700 -0.0134112563 -0.0010307822 0.0051372075 -0.0002747471 -0.0002198139 -0.0036922625 -0.0030980461 0.0020518792 0.0011226066 0.0020962365 -0.0022688713 0.0018028358 -0.0075744327 0.0141788869 -0.0247079633 -0.0009513523 0.0050187597 0.0062936146 -0.0015642950 0.0190873272 -0.0427971469 -0.0028465174 -0.0025463849 -0.0074278556 -0.0035243822 -0.0299294809 -0.0357965633 -0.0057605479 -0.0014471016 -0.0005608779 0.0063926637 0.0304393067 -0.0434244233 0.1069238656 -0.0149890390 -0.0095685186 0.0033411809 0.0005626337 0.0315431670 -0.0182488199 -0.1378046983 -0.1282472480 0.0250831090 -0.1045773681 0.0661874920 -0.1270453808 0.1992248397 0.6317651967 -0.0201797945 0.0089458879 0.0201724739 0.0230748973 0.0408295416 0.0533347128 -0.0789781834 0.0787650359 -0.1354478599 -0.0035234521 0.0115683141 -0.0055552293 -0.0392546666 -0.0263195567 -0.0200456861 0.0392517464 -0.0147557942 0.0094562019 0.0044289771 -0.0030112504 0.0000450419 -0.0177922745 0.0213665095 0.0498224993 -0.0646375026 0.0430930000 -0.0203560483 0.0007983776 -0.0007451113 -0.0041760404 -0.0089945090 -0.0031005743 0.0058594339 -0.0031642584 0.0036169751 0.0025709033 -0.0002732151 -0.0003807530 0.0010725681 0.0031707986 0.0014387204 0.0024323584 0.0054747802 0.0010371129 -0.0000341485 0.0009552714 -0.0007051811 -0.0087632730 0.0262282956 -0.0282880831 -0.3306086744 0.1180704433 -0.1539251367 -0.1380280123 -0.0559342798 -0.0345053783 -0.1479169601 0.0079265027 -0.0081607998 -0.0510991818 0.0042576772 -0.0017396741 0.0021901393 -0.0154193429 0.0040188797 -0.0496342387 0.0207632409 0.0079717995 -0.0127890224 -0.0707624108 0.0196146249 0.0136367156 0.0034321595 -0.0029545273 -0.0045109013 -0.0446400806 -0.0092788001 0.0357792498 -0.0078910561 -0.0209857465 -0.0081411540 -0.0118316602 0.0285904601 -0.0122190639 0.1359282160 -0.0392976941 -0.0219124277 0.0375925288 0.0409913462 -0.0972711462 0.1019800912 -0.1613611222 0.1693655747 -0.0867735884 0.0881140349 -0.0915046375 0.0694363758 0.1597313624 -0.2430745261 0.0018213603 -0.0011901852 -0.0063547966 -0.0079279921 -0.0208107117 0.0540984143 0.0034740305 -0.0006873911 -0.0055431697 -0.0140502592 0.0231004295 0.0292573081 -0.0024000241 -0.0001822696 -0.0021791445 0.0193656380 0.0054884684 -0.0006202728 0.0216245619 -0.0006625233 -0.0009078068 -0.0026481253 0.0017472119 0.0129747949 0.0028175138 -0.0364729730 -0.0312078900 0.0167550396 -0.0198493684 0.0107598229 -0.0684963540 0.1128745455 0.2210178935 -0.0028993232 0.0066360532 0.0102837504 0.0094741955 0.0099911348 0.0227312859 -0.0380778646 0.0355636600 -0.0660289168 -0.0023382996 0.0044764601 -0.0022990328 -0.0182247014 -0.0160763498 -0.0065456324 0.0149795591 -0.0060936742 0.0025209374 -0.0001043570 -0.0007884490 0.0000742837 0.0072312249 0.0130106026 0.0160793565 -0.0173128084 0.0111738552 -0.0038871131 0.0010437055 0.0001360145 -0.0019920374 -0.0063710404 0.0003102166 0.0044641014 -0.0057752919 -0.0003394676 0.0028882603 -0.0008497237 -0.0002330136 0.0001983869 0.0021721051 0.0017269809 0.0005694974 0.0048358812 0.0001688538 -0.0006102840 0.0008840514 -0.0010320706 -0.0018304476 0.0112361069 -0.0161064716 -0.1140817390 0.0436645875 -0.0941513521 -0.0572785190 -0.0559506044 0.0351764559 -0.0623674948 0.0121181876 -0.0170196118 -0.0136205477 -0.0056441273 0.0037367334 -0.0025487138 0.0281150546 -0.0319113040 0.0584021647 -0.0083160935 -0.0032770101 0.0058880399 0.0988874456 -0.0207024010 -0.0170509857 -0.0133933473 -0.0035021444 -0.0071663510 0.0092351400 -0.0004602725 -0.0422987065 0.0890652512 0.0471952539 0.0127259669 0.0231479697 -0.0355465637 0.0343383740 0.0855046048 0.0114068751 -0.0993840496 -0.0600104499 -0.0130471218 0.2858205097 -0.3465940401 0.3551545391 -0.3834484536 0.2519354425 -0.2294565242 0.2290199718 -0.0781744474 -0.0129921727 0.4194678130 0.0000157012 -0.0005337329 -0.0012398375 -0.0054064618 0.0113378496 0.0089786467 0.0055637905 0.0008717038 -0.0017878852 -0.0001205639 -0.0074484797 0.0075385608 -0.0001274941 0.0002727834 0.0001526999 0.0017678936 -0.0027941948 -0.0017579318 -0.0001758132 -0.0004133401 -0.0001413663 -0.0000590746 0.0001080095 0.0000720965 0.0001143842 -0.0006752489 0.0003355300 -0.0001956853 -0.0001707140 -0.0006941386 -0.0006140310 0.0004447904 0.0005925528 0.0005088008 0.0009112222 -0.0003346200 -0.0033943331 -0.0013625050 0.0086169961 0.0003797243 -0.0139293492 -0.0041022456 0.0002769094 -0.0003349041 -0.0000237391 -0.0012368214 0.0026633181 -0.0013423348 -0.0002263081 0.0000412636 0.0014399232 -0.0000063938 -0.0000574147 -0.0000286342 -0.0004986503 0.0007424029 -0.0004824045 -0.0003999014 0.0000160228 0.0008971764 -0.0000378397 -0.0000620661 -0.0000974461 0.0000792057 0.0009397582 0.0005881063 0.0002574493 -0.0004907857 0.0003473056 -0.0000350363 -0.0000334965 -0.0000072576 -0.0000569061 0.0001461768 -0.0000867515 0.0000826807 0.0002129611 0.0001501578 0.0003753013 0.0000427805 0.0000433242 0.0002611886 0.0000034968 -0.0004346526 0.0001528837 -0.0004485277 -0.0011539101 0.0010159633 -0.0000428863 0.0051504617 0.0001886176 -0.0002406937 0.0000400288 -0.0007889571 -0.0000339747 0.0002290554 0.0076095962 0.0027559140 -0.0011223535 -0.0004225618 -0.0025011320 -0.0018249147 0.0024420298 -0.0000895823 -0.0002856123 0.0001468499 -0.0016734883 0.0002296137 0.0029686245 0.0145572098 0.0118137808 -0.0033967351 0.0036556948 -0.0115374616 0.0037696423 -0.0040346337 -0.0006142436 0.0026674597 0.0071226225 0.0076148205 -0.0492719517 0.0454051258 -0.0094751520 -0.0541538991 0.0494193147 0.0418353907 -0.0008448395 0.0007039336 -0.0015301568 0.6524240566 -0.5912323040 -0.4599765476 -0.0001922337 -0.0000666026 -0.0001191060 -0.0003884879 0.0017615630 0.0010241780 0.0025961844 0.0005880638 -0.0008898529 0.0000032175 -0.0015610975 0.0013350888 -0.0001018351 0.0001381519 0.0001849571 0.0006721363 -0.0020430114 -0.0013092161 0.0001810315 0.0008347675 -0.0007359968 0.0002886910 0.0002660390 -0.0001942594 -0.0004398272 -0.0043427339 0.0036416154 -0.0021472721 -0.0005187710 -0.0028302268 0.0012400850 -0.0008369351 -0.0016399958 0.0210308993 0.0695216689 0.0171991121 -0.0514862696 -0.0078221048 0.2130172347 -0.1929850405 -0.8312496725 -0.4160465418 0.0085671768 -0.0111072532 -0.0001895313 -0.0823056461 0.1498343366 -0.0791057832 -0.0207211896 -0.0065769451 0.0885408373 -0.0000171275 0.0001062437 -0.0004578509 0.0025563317 -0.0078971220 0.0038726113 -0.0009005659 -0.0002529811 0.0004902889 0.0000720246 0.0002933485 0.0001820284 -0.0005436122 -0.0026226757 -0.0021164416 -0.0010600495 0.0006005777 -0.0007984428 0.0001260927 0.0002032868 -0.0000068357 0.0006263683 -0.0011513824 0.0009162634 -0.0003020858 -0.0010094967 -0.0002753220 -0.0015805354 -0.0001128560 -0.0001069197 -0.0001408250 -0.0000798426 0.0006993439 -0.0010524827 0.0011458193 -0.0005900679 -0.0030613328 -0.0013949126 0.0088446745 -0.0002615867 0.0004019311 0.0000297093 0.0000484324 -0.0000538734 -0.0000246642 -0.0006764087 -0.0005124907 0.0002826899 0.0004021937 0.0009571901 0.0006767528 0.0001023294 0.0002747570 -0.0007271946 -0.0000813451 -0.0002464775 -0.0000807091 0.0004461079 0.0017824629 0.0013232883 0.0000281055 0.0001732034 0.0000143086 0.0010750551 0.0002575898 0.0009610401 -0.0019485708 -0.0128240484 -0.0071597807 -0.0108014060 0.0099403232 -0.0029377717 0.0016187058 -0.0006059088 -0.0003316999 -0.0001916665 0.0000551277 -0.0002090875 -0.0152634686 0.0064757063 0.0054859616 -0.0003713034 -0.0000224127 -0.0004774440 -0.0016456755 0.0045464307 0.0027352786 0.0058798463 0.0011435964 -0.0019741548 0.0000511909 -0.0055807323 0.0048459004 -0.0001832389 0.0002709653 0.0003598244 0.0018173707 -0.0043521975 -0.0028155293 0.0001588600 0.0014736421 -0.0013360079 0.0004079303 0.0006690157 -0.0002869187 -0.0005598073 -0.0083991460 0.0066583430 -0.0031114618 -0.0009192006 -0.0044394760 0.0005030057 -0.0006188410 -0.0007447293 0.0056079499 0.0152655586 0.0034395506 -0.0128377393 -0.0031817384 0.0445128978 -0.0452436185 -0.1746650623 -0.0867158923 -0.0422637365 0.0572095941 0.0018506915 0.4087179468 -0.7005984558 0.3671014683 0.0973992201 0.0236584021 -0.3805494474 -0.0001894973 -0.0025504893 0.0000121877 -0.0111842839 0.0225423476 -0.0128485879 0.0012160494 0.0009620796 0.0022013846 0.0017785421 -0.0015011547 0.0035422889 -0.0016466044 -0.0212337147 -0.0117561142 -0.0156509832 0.0404040661 -0.0250840231 0.0001521423 -0.0008423244 -0.0006822426 0.0003621651 -0.0018777124 0.0009955853 0.0013508988 0.0127005773 0.0064862593 -0.0028426510 -0.0011219909 -0.0010627274 -0.0001331465 0.0000129013 0.0003792189 -0.0005012285 0.0000110191 -0.0003317773 -0.0008710325 -0.0001861542 0.0071969282 -0.0001884863 0.0003144956 0.0000019082 -0.0001851573 0.0000319291 0.0000331964 0.0020058704 0.0007169753 -0.0005208849 -0.0001382534 -0.0007886536 -0.0006874949 0.0002500263 -0.0003130865 0.0007708100 -0.0001869714 -0.0009399004 0.0001307571 0.0024307014 0.0078869513 0.0063504900 -0.0003757293 0.0028729968 -0.0075813673 0.0005393565 0.0005862190 0.0007068645 -0.0021715445 -0.0113072896 -0.0068247529 -0.0042004402 0.0042941123 -0.0014324998 0.0005611496 0.0000546347 0.0002349718 -0.0002540402 0.0001204503 -0.0001865292 -0.0012499633 -0.0009698590 -0.0000359029 -0.0278504326 0.0082790533 -0.0308374136 -0.1005470565 0.2476071552 0.1398183349 0.4259608545 0.0810187887 -0.1465977747 0.0004471486 -0.4325706127 0.3696353841 0.0167805246 -0.0270836241 -0.0304926412 -0.1944797925 0.4509635400 0.2837325996 0.0031929878 -0.1171696141 0.0840049146 0.0048813866 0.0095100800 -0.0002674492 -0.0041789709 -0.1071244203 0.0819458416 -0.0546249336 -0.0176967367 -0.0864126496 0.0001306821 -0.0001655057 0.0001496720 -0.0000778066 -0.0003025006 -0.0000552668 0.0002071995 -0.0000048142 -0.0007634872 0.0007448152 0.0034647158 0.0016494975 0.0002595755 -0.0003706559 0.0000472855 -0.0027927744 0.0045887450 -0.0024194187 -0.0004329446 -0.0001326453 0.0017571467 -0.0000530667 0.0000614090 0.0000589899 0.0003437946 -0.0005450744 0.0003696585 0.0004242480 -0.0000425803 -0.0009761666 -0.0001495021 0.0000204558 -0.0002872971 0.0005053401 0.0024488341 0.0015237449 0.0012665133 -0.0027182445 0.0017814400 -0.0000552656 -0.0000329911 0.0000998111 -0.0005395055 0.0010616811 -0.0007634484 -0.0000816974 -0.0008792227 -0.0005232598 0.0012034903 0.0002110568 0.0001583470 -0.0000483427 -0.0000383848 -0.0000524876 -0.0000735205 -0.0000325591 -0.0000032110 0.0001548098 0.0001978902 -0.0003937680 -0.0002293284 0.0005544998 0.0004215553 0.0007370583 -0.0005107265 0.0000990182 -0.0095458883 -0.0039145156 0.0026639969 0.0019469397 0.0060218735 0.0043066595 -0.0008497120 0.0037128755 -0.0081513129 -0.0000951725 -0.0001929584 0.0001781073 0.0005619551 0.0013142298 0.0011854928 0.0001935055 0.0010001811 -0.0030641840 -0.0001836448 0.0001960077 -0.0000678240 -0.0001750581 -0.0001861787 -0.0001300496 0.0021979767 -0.0019918204 0.0005639199 0.0009201179 -0.0007356607 -0.0000453879 -0.0001243574 0.0001423665 -0.0002291830 -0.0072238955 0.0061780050 0.0042388344 0.0001378687 -0.0003742673 0.0007171179 0.0013195566 -0.0035675221 -0.0021103900 -0.0026744842 -0.0003854672 0.0007997898 -0.0002965425 0.0083750344 -0.0072710149 0.0001476293 -0.0002557202 -0.0002909877 -0.0017942793 0.0039383233 0.0025769967 -0.0000672909 -0.0011666370 0.0011076157 -0.0003519683 -0.0008952221 0.0002248161 0.0004052553 0.0098973735 -0.0075755874 0.0034087884 0.0010887219 0.0052841261 -0.0000236879 0.0001444096 -0.0000478429 -0.0001771885 -0.0002264934 0.0004254445 0.0017456927 0.0005039760 -0.0056743199 0.0004272892 0.0018096695 0.0007661797 0.0004268706 -0.0005006709 -0.0001580769 -0.0037890541 0.0062011547 -0.0033550304 -0.0014756777 -0.0003096220 0.0053979795 -0.0000922966 0.0000836779 0.0001749053 0.0003792933 -0.0006107175 0.0004610176 0.0009546110 -0.0001087625 -0.0024236862 -0.0007927303 0.0002349659 -0.0014065271 0.0024947531 0.0113805206 0.0070851736 0.0068631774 -0.0142953572 0.0093671926 0.0000974817 0.0000035268 0.0000570651 -0.0000858629 0.0003099948 -0.0002079675 0.0000822397 -0.0001068130 -0.0000603974 -0.0012500513 -0.0002299103 -0.0002444711 -0.0000377003 -0.0000328937 0.0000028758 -0.0000497689 -0.0000666741 0.0000829289 -0.0000927110 0.0001283745 -0.0007571510 0.0000401878 -0.0000790679 -0.0000034547 0.0160904152 -0.0010465718 -0.0048788353 -0.2213950833 -0.0928583570 0.0650081320 0.0285036453 0.0800118670 0.0616655044 0.0007430509 0.0277266758 -0.0707920840 -0.0136219326 -0.0637723561 0.0138364548 0.1778437477 0.5337933146 0.4341019946 -0.0154982523 0.2207250416 -0.5950592953 -0.0038012784 0.0061738698 -0.0009889489 -0.0045304098 -0.0145781472 -0.0109535415 0.0533168429 -0.0589877131 0.0245117615 0.0002898233 -0.0000300857 -0.0013120434 0.0002048751 -0.0001608049 0.0002700132 -0.0083404129 0.0063358876 0.0074493105 -0.0165007480 0.0037838201 -0.0282199542 -0.0921338040 0.2325247211 0.1325520502 0.2770923965 0.0525804235 -0.0922604146 0.0017185383 -0.3329519007 0.2832256019 -0.0168604490 0.0291394429 0.0369476150 0.2099606428 -0.4934230997 -0.3103765155 -0.0045857250 0.1482820459 -0.1134287853 -0.0113102349 -0.0288155635 0.0038743114 0.0079195612 0.3133835439 -0.2401096228 0.1253573446 0.0391684356 0.2036209762 -0.0004559895 0.0007942140 -0.0003689769 -0.0000148594 -0.0001268584 -0.0000155862 0.0001298421 0.0000619042 -0.0005041808 0.0002690357 0.0013081045 0.0006212534 0.0000885278 -0.0000852486 -0.0000884084 -0.0007371591 0.0011069141 -0.0006720980 -0.0004614402 -0.0000814813 0.0018049452 -0.0001540338 0.0000858832 0.0003385029 0.0003306843 -0.0006702309 0.0004864491 0.0017437820 -0.0001466496 -0.0045040014 -0.0015076360 0.0004908077 -0.0026208385 0.0047488639 0.0210886872 0.0131111148 0.0131033746 -0.0270603480 0.0177271380 0.0004002624 0.0000656961 -0.0001225939 0.0011079829 -0.0018629771 0.0013588004 0.0004288569 0.0022745959 0.0013537565 -0.0063632126 -0.0011445965 -0.0010332409 0.0000147277 0.0001091776 0.0001305948 -0.0000488217 -0.0002202633 0.0000530576 0.0001414694 0.0003654010 -0.0010795457 0.0006837614 -0.0011114613 -0.0006416627 0.0013338183 -0.0006255818 -0.0001269801 -0.0175440671 -0.0068408510 0.0049916764 0.0026741595 0.0092648256 0.0073151460 -0.0009321935 0.0042623812 -0.0106968239 -0.0000279173 0.0003270236 -0.0002101270 -0.0004946435 -0.0019613419 -0.0015051985 0.0002987157 -0.0015764106 0.0039400632 -0.0001470714 0.0003006685 0.0000035830 -0.0004732009 -0.0019505620 -0.0011491851 0.0020335301 -0.0016118387 0.0004477838 0.0011099173 -0.0008385029 0.0000345540 -0.0002104976 0.0002461567 -0.0002912317 -0.0080437003 0.0067024945 0.0046411227 -0.0007452625 0.0002265943 -0.0012008424 -0.0038600570 0.0096331878 0.0054428307 0.0123318368 0.0023576843 -0.0041731033 0.0000078471 -0.0147518952 0.0125012292 -0.0004721439 0.0009272262 0.0010813792 0.0062107525 -0.0148392034 -0.0092885222 -0.0002029793 0.0038655701 -0.0028616258 -0.0008332145 -0.0020686344 0.0004046663 0.0007359113 0.0227256150 -0.0174412130 0.0085268197 0.0026679934 0.0135345813 -0.0001412053 0.0001593631 -0.0000095332 -0.0004202387 -0.0007704891 -0.0001205065 0.0007138386 0.0000067717 -0.0033693178 0.0034050797 0.0107051999 0.0055306924 0.0020879360 -0.0028938936 -0.0007489838 -0.0186249730 0.0351346131 -0.0163875360 -0.0055449315 -0.0012088028 0.0208895009 0.0018126411 0.0006097451 -0.0074317503 0.0076773775 -0.0136190150 0.0055632268 -0.0325463911 0.0026966678 0.0847110922 0.0335386342 -0.0095179313 0.0579404317 -0.1078640911 -0.4768910593 -0.2957617917 -0.2884544044 0.5937861888 -0.3882678739 -0.0127211881 -0.0018869246 0.0062874035 -0.0424256067 0.0756707256 -0.0551507847 -0.0148217838 -0.0919408592 -0.0555185578 0.2085596804 0.0378099627 0.0321032848 0.0000619730 -0.0000121235 -0.0000094051 0.0000649843 -0.0000117543 0.0000201135 0.0000016449 -0.0000210885 -0.0005795923 0.0000893227 -0.0001317051 -0.0000400241 0.0008942853 -0.0002770819 -0.0002377615 -0.0122463165 -0.0049708305 0.0035320991 0.0019758916 0.0060608359 0.0047893948 -0.0002234734 0.0021441194 -0.0055013689 -0.0002674765 -0.0011652361 0.0002823183 0.0033450239 0.0097907502 0.0080054113 -0.0002283487 0.0042057371 -0.0113942323 -0.0002645779 -0.0001081964 -0.0002848650 0.0008091708 0.0038338987 0.0023222289 0.0023914677 -0.0025671270 0.0010304917 -0.0001360314 0.0000293399 -0.0000238178 0.0000599864 -0.0000282863 0.0000299622 0.0003188805 -0.0001399958 -0.0002369074 -0.0002201902 0.0001556252 -0.0006933556 -0.0016771001 0.0049102059 0.0026529079 0.0038503462 0.0007537811 -0.0010604953 0.0003352589 -0.0074954785 0.0064921452 -0.0007331942 0.0007412756 0.0016872212 0.0084892351 -0.0190513045 -0.0120147725 -0.0000010673 0.0105222423 -0.0082627900 0.0010827009 0.0030801033 -0.0009050207 -0.0013256743 -0.0336837498 0.0257870353 -0.0102621773 -0.0031545816 -0.0158697849 0.0001481956 -0.0001227032 0.0000467134 -0.0001376229 0.0004000440 0.0013750210 0.0040170170 0.0016045837 -0.0149897190 -0.0020266296 -0.0068292356 -0.0032788867 -0.0002149515 0.0040885455 -0.0089379054 0.0266499790 -0.0460007098 0.0224144186 -0.0231836749 -0.0027163387 0.0860131464 -0.0008800368 0.0002540663 0.0038459194 -0.0029236843 0.0015904551 -0.0003921150 0.0158199744 -0.0012388878 -0.0442080784 -0.0071334864 0.0051043977 -0.0147349179 0.0189569089 0.0891921500 0.0574692202 0.0735029712 -0.1520878351 0.1025708132 -0.0246073778 -0.0111958091 0.0403069404 -0.2218371617 0.4208912661 -0.3049656948 -0.0495420347 -0.3873264981 -0.2349348886 0.5541191044 0.0992131229 0.0734075163 -0.0000714642 -0.0000153290 -0.0000339958 -0.0001077427 0.0000024983 -0.0000245247 0.0001412248 -0.0002636443 0.0011444138 -0.0000971061 0.0001091170 0.0000415994 -0.0125827226 0.0070833262 0.0038900814 0.1792085880 0.0711349650 -0.0511167978 -0.0371108326 -0.1155187373 -0.0919711112 0.0037383309 -0.0368889003 0.0961892150 -0.0010706577 -0.0056420593 -0.0010851901 0.0166753087 0.0525600105 0.0414487691 -0.0011306654 0.0100069886 -0.0269523525 0.0008359367 0.0019302203 0.0013279308 -0.0059387806 -0.0247396685 -0.0152481657 -0.0032559219 0.0024943720 -0.0006733641 0.0003668754 -0.0001973607 -0.0001600054 -0.0000672123 0.0000421463 -0.0000491950 -0.0027119138 0.0023074253 0.0021593679 0.0010299590 0.0007242490 0.0027782883 0.0114097969 -0.0260944379 -0.0155667348 -0.0204458389 -0.0033134593 0.0055695003 -0.0014196756 0.0237057972 -0.0214689757 0.0054826914 -0.0055535851 -0.0122000366 -0.0628809034 0.1387371355 0.0880553263 0.0016038425 -0.0709341246 0.0571252312 -0.0091432851 -0.0256286938 0.0070901009 0.0104404550 0.2783704266 -0.2130477131 0.0883032285 0.0272108996 0.1365422753 -0.0006329742 0.0012296975 -0.0006707290 0.0000162273 0.0000904864 0.0000308940 0.0000192942 0.0000412296 0.0003219713 0.0000311716 -0.0009850017 -0.0005474539 0.0001158932 -0.0010040025 0.0019693886 -0.0064714561 0.0112749827 -0.0055349353 0.0048964935 0.0005639059 -0.0183308582 0.0001793291 -0.0000038918 -0.0009564296 0.0010313466 -0.0010477694 0.0004704760 -0.0037888091 0.0002971050 0.0105968089 0.0018384991 -0.0012049129 0.0037672235 -0.0050610201 -0.0236662656 -0.0152091704 -0.0186229079 0.0385335018 -0.0259515369 0.0058851212 0.0027384480 -0.0097734319 0.0538273057 -0.1021572740 0.0739943460 0.0119507789 0.0935611124 0.0567163751 -0.1333716693 -0.0238704449 -0.0176737022 -0.0000224800 -0.0000309413 0.0002306883 0.0000118926 -0.0003616955 0.0001199429 -0.0000330501 0.0005448327 -0.0015327597 0.0007426957 -0.0009156435 -0.0003522770 -0.0385485286 0.0216938209 0.0118007194 0.5487055283 0.2176461422 -0.1565428874 -0.1132627439 -0.3529305652 -0.2811124188 0.0115782647 -0.1132409680 0.2953459218 -0.0033123459 -0.0176671452 -0.0029031061 0.0518030682 0.1629150610 0.1286005957 -0.0036185155 0.0331738601 -0.0892217202 0.0022869807 0.0052008592 0.0035189206 -0.0159854735 -0.0654774527 -0.0406093337 -0.0088344970 0.0060639796 -0.0015605608 0.0006364808 -0.0003144920 -0.0005643804 -0.0000535719 -0.0000032574 -0.0000128544 -0.0057176004 0.0050136733 0.0049906395 -0.0034095450 0.0003043947 -0.0087796975 -0.0282333823 0.0708888365 0.0401950026 0.0616479634 0.0110789448 -0.0176717790 0.0038294401 -0.0894348938 0.0783697272 -0.0114461213 0.0114103507 0.0261651942 0.1325672373 -0.2942446574 -0.1862196879 -0.0025386198 0.1576684762 -0.1256500341 0.0179628100 0.0508195393 -0.0140985325 -0.0207857605 -0.5513150541 0.4218342965 -0.1736373298 -0.0533472233 -0.2684428639 0.0012254101 -0.0018956982 0.0009286251 -0.0001433892 -0.0008904420 -0.0004287477 -0.0004023179 -0.0003672090 0.0016297739 0.0022009658 0.0104959449 0.0048353286 0.0007086806 -0.0016882035 0.0017501428 -0.0122363018 0.0202884912 -0.0103497074 0.0031575241 0.0001025110 -0.0113646540 0.0001024802 0.0001324994 -0.0008650305 0.0018058632 -0.0021684548 0.0012908634 -0.0031567714 0.0002491155 0.0091621295 0.0019243284 -0.0015311929 0.0036283130 -0.0047775385 -0.0214449984 -0.0136047857 -0.0195942869 0.0400925251 -0.0268528235 0.0040953274 0.0019892957 -0.0073434784 0.0401477655 -0.0761448093 0.0551996454 0.0089378877 0.0697044509 0.0422951400 -0.0961337321 -0.0171985198 -0.0126319809 -0.0000296719 -0.0001254989 -0.0003970684 -0.0001565721 0.0004939872 -0.0000242008 0.0000460731 -0.0002828297 0.0006115229 -0.0013432613 0.0015234680 0.0007665902 -0.0177740231 0.0107162203 0.0056513051 0.2555463194 0.1014881909 -0.0727956439 -0.0551394054 -0.1708399821 -0.1359585985 0.0052283617 -0.0538875360 0.1405949072 -0.0018173882 -0.0095120940 -0.0010832612 0.0279858574 0.0868399300 0.0687768456 -0.0018877858 0.0198907123 -0.0535950027 -0.0002762078 0.0020399477 0.0002725199 -0.0036325061 -0.0137092304 -0.0082774597 0.0081231911 -0.0096152960 0.0043648206 0.0004372696 -0.0005196847 -0.0003791249 0.0000483566 0.0000378664 -0.0000146721 -0.0060416281 0.0057621891 0.0043975446 -0.0001867574 0.0001822178 0.0002297315 0.0011065203 -0.0022904436 -0.0018188358 0.0011142258 0.0003176283 -0.0005063336 -0.0001249817 0.0005561546 -0.0007978826 0.0002729621 -0.0005425808 -0.0003939645 -0.0031799136 0.0066716295 0.0042115214 0.0009435202 -0.0008008916 0.0009016236 -0.0008311129 -0.0013298738 -0.0003175039 0.0002723865 0.0123033518 -0.0096235729 0.0091292694 0.0024292503 0.0141326187 -0.0012104519 0.0001413447 0.0026292268 -0.0002505736 0.0019654409 0.0032397255 0.0077631096 0.0028013850 -0.0264709619 -0.0055893924 -0.0258978811 -0.0127355191 -0.0003690167 0.0006700177 -0.0003164681 0.0055447326 -0.0087850449 0.0044807915 -0.0006340800 0.0000973119 0.0008478646 0.0003884364 -0.0004080513 -0.0002704892 -0.0024929644 0.0045722101 -0.0029200575 -0.0027646666 0.0000760523 0.0058876899 -0.0002194984 0.0001174203 -0.0003676725 0.0005805378 0.0024061272 0.0015112742 0.0020107645 -0.0039297896 0.0026292052 -0.0000672594 -0.0001050142 0.0003144537 -0.0017332476 0.0032843993 -0.0023918143 -0.0003127907 -0.0024902575 -0.0015327278 0.0028528885 0.0005025380 0.0003224842 0.0004806606 0.0002122612 -0.0009018769 -0.0000189592 -0.0006737478 -0.0005107311 0.0005783748 -0.0000099788 -0.0023912085 0.0001234980 0.0000541156 -0.0002068013 -0.0052350502 0.0017349657 -0.0006834857 0.0713175343 0.0295116746 -0.0208739413 -0.0106825809 -0.0263588839 -0.0215644476 0.0020632655 -0.0210786103 0.0535049762 0.0050944826 0.0053423157 0.0246889192 -0.0414098976 -0.1363484713 -0.1054771529 -0.0070188851 0.0743345567 -0.1894719381 -0.0414773210 -0.0283424887 -0.0480037525 0.1580010998 0.6808405877 0.4178583254 0.3294504417 -0.3418279146 0.1378090151 -0.0013521768 0.0015981338 0.0014838021 0.0002669093 -0.0003254220 0.0001500739 0.0107020243 -0.0159816081 -0.0126717509 0.0000430124 0.0000189056 0.0000088029 0.0001131319 -0.0002725962 -0.0001474809 -0.0006021686 -0.0001000029 0.0001843791 -0.0000117010 0.0001656760 -0.0001439737 0.0000130802 0.0000040348 -0.0000317088 -0.0001274321 0.0002231110 0.0001547193 0.0000018331 -0.0002961885 0.0002468870 -0.0000594907 -0.0002367862 0.0000783108 0.0000716443 0.0027084036 -0.0019734746 0.0006257248 0.0001905385 0.0010139142 -0.0001019102 -0.0000038959 -0.0002290228 0.0051609208 -0.0021331636 -0.0240061019 -0.0705863161 -0.0255049298 0.2760735019 0.0091595361 0.0473326315 0.0206755462 -0.0048353298 -0.0253052547 0.0791991512 -0.1680874366 0.2822063001 -0.1380603473 0.2272646053 0.0263778829 -0.8121316542 0.0074138702 -0.0023643938 -0.0142628357 -0.0043022918 0.0199823980 -0.0126043530 -0.0809743711 0.0025685936 0.1876433933 -0.0023548060 0.0093700078 -0.0019643839 -0.0083191972 -0.0381459086 -0.0259982166 0.0336728650 -0.0703006925 0.0470104261 -0.0046952225 -0.0062231051 0.0035084611 -0.0342285059 0.0652502897 -0.0472622090 -0.0008983381 -0.0064243509 -0.0027456467 0.0865168118 0.0135440756 0.0095911887 0.0000938173 -0.0000929516 0.0000591192 0.0001930945 -0.0001597904 -0.0000974841 -0.0009426005 0.0025687830 -0.0050471474 0.0000001110 0.0000478464 0.0000106355 -0.0001161392 0.0000938665 0.0000119070 0.0017229384 0.0006627570 -0.0004825673 -0.0004045583 -0.0011511756 -0.0009265189 0.0000477639 -0.0004957557 0.0012943193 0.0000163171 -0.0002037030 0.0004091118 0.0002067926 0.0003274633 0.0003148514 -0.0001530797 0.0019452054 -0.0050614074 -0.0002315719 -0.0007866043 -0.0005633373 0.0023366724 0.0106561509 0.0065082694 0.0009456078 -0.0010400753 0.0001864146 0.0001481942 -0.0001020640 -0.0001328993 -0.0000259830 0.0000087938 0.0000024753 -0.0011991561 0.0013692848 0.0013116761 0.0000494431 -0.0000313960 0.0001124543 0.0003244564 -0.0007616457 -0.0004133277 -0.0008676933 -0.0001594257 0.0002581414 -0.0000226846 0.0013330395 -0.0011388379 0.0000439070 -0.0000051771 -0.0001539681 -0.0005674011 0.0012468957 0.0007698260 0.0000894743 -0.0011778683 0.0009350578 -0.0001558715 -0.0001675659 -0.0001381333 -0.0000027420 0.0012943769 -0.0010204414 0.0019521219 0.0005115917 0.0028462774 -0.0001385796 0.0000469595 0.0004734282 0.0010962985 -0.0003294864 -0.0065449111 -0.0168780006 -0.0060611906 0.0731205376 0.0044846430 0.0145773446 0.0055302594 -0.0018836172 -0.0039524555 0.0137842896 -0.0233224533 0.0401617065 -0.0180762490 0.0421220081 0.0053705975 -0.1491184914 -0.0410063204 0.0446958921 0.0188626343 0.2564789624 -0.5287778527 0.3256491582 0.2283695312 -0.0031141874 -0.5441470797 0.0046742424 -0.0372703654 -0.0017778902 0.0555631876 0.2437424513 0.1593213411 -0.1019235429 0.2027313807 -0.1403330406 -0.0017359066 0.0040442585 0.0003771457 0.0087135516 -0.0181344518 0.0148409328 -0.0050437675 -0.0372513448 -0.0226741487 0.0172347799 0.0038194983 0.0031758338 -0.0001250459 -0.0000318888 -0.0002508662 -0.0000379752 -0.0002914343 -0.0001169652 -0.0001531840 0.0004663043 -0.0010762842 0.0000268149 0.0000153839 -0.0000363162 -0.0000687780 -0.0000588390 -0.0000556026 0.0006306122 0.0002470959 -0.0001925757 0.0001928574 0.0006746454 0.0005261922 0.0000285336 -0.0001581755 0.0003727736 0.0001214767 0.0001384340 0.0006452990 -0.0011706765 -0.0036705235 -0.0028553400 -0.0001604854 0.0019077838 -0.0047742128 -0.0002766127 -0.0006257445 -0.0005007657 0.0020654541 0.0088214599 0.0054070433 0.0011277280 -0.0013221847 0.0004594689 0.0000782819 0.0000473262 0.0000571878 -0.0000478398 0.0000192940 -0.0000283947 0.0002770760 -0.0006650337 -0.0003432718 -0.0000578259 0.0002140326 -0.0002038554 0.0000790402 0.0003740020 0.0000883372 0.0006240210 0.0002063499 -0.0001939147 0.0000526388 -0.0029365488 0.0024735004 -0.0001620298 0.0004237299 0.0002121996 0.0020210980 -0.0045650718 -0.0029563823 -0.0003208460 -0.0006418428 0.0005022930 0.0002146205 0.0002994070 0.0001715614 0.0000006253 -0.0022349040 0.0017123769 -0.0025227912 -0.0007334130 -0.0038392471 0.0002601146 0.0000874723 -0.0005429244 0.0005376023 -0.0006566601 -0.0031134239 -0.0087236970 -0.0029848327 0.0321732517 0.0024608848 0.0111281409 0.0053112086 0.0001811867 0.0001613982 -0.0011266493 0.0008062520 -0.0014592411 0.0006987542 -0.0032724449 -0.0004846071 0.0120373865 0.0001576251 -0.0002707211 0.0001263899 -0.0015837339 0.0034239427 -0.0020466976 -0.0000907869 0.0000403354 0.0006463889 0.0000467320 0.0003708386 0.0001713588 -0.0009108640 -0.0037963431 -0.0024362059 0.0003071902 -0.0006339007 0.0004898198 -0.0000156255 0.0000381832 -0.0000991239 0.0005529904 -0.0010404619 0.0007397230 0.0000942066 0.0006905237 0.0003995680 -0.0004488919 -0.0000628778 -0.0000307644 -0.0001045664 -0.0000816283 0.0001173899 -0.0000381717 0.0000283020 0.0001158946 0.0000492548 0.0001896041 0.0000764710 -0.0000220934 -0.0000525354 0.0000409579 -0.0076509433 -0.0034856517 -0.0077563348 0.0719708114 0.0273327101 -0.0234751523 0.0164534938 0.0467407202 0.0388561239 0.0014506333 -0.0313949401 0.0788800357 0.0133495699 0.0159591454 0.0864122454 -0.1537916438 -0.4630517705 -0.3574967608 -0.0123550797 0.2678145587 -0.6729094846 0.0131814401 0.0079234652 0.0148295785 -0.0477486533 -0.1996239021 -0.1207841107 -0.1060476641 0.1079743493 -0.0455638014 0.0011165530 -0.0006608208 -0.0003576358 -0.0004013845 0.0002644326 -0.0003562929 -0.0022079183 0.0043801969 0.0019947202 -0.0000704371 0.0000037525 0.0000510133 0.0001169019 -0.0003264832 -0.0002200697 0.0006663501 0.0001122233 -0.0002262955 0.0000087481 0.0001734162 -0.0001431235 -0.0000095970 -0.0001065855 0.0000981464 0.0001238560 -0.0002278254 -0.0001315865 -0.0000165357 0.0014566833 -0.0011723355 -0.0001157875 0.0003143147 -0.0004249039 -0.0001421521 -0.0040848270 0.0030857038 0.0016393531 0.0004914530 0.0022516517 -0.0000999918 0.0001517829 0.0003768041 0.0004314148 -0.0001893006 -0.0034530983 -0.0086637177 -0.0028771352 0.0378063846 0.0029358453 0.0080628799 0.0031149344 -0.0005831504 0.0005081386 -0.0015722881 0.0072608776 -0.0158454543 0.0063091889 -0.0035911694 -0.0006440662 0.0099748266 -0.0199325910 0.0160852818 0.0198711881 0.0850632245 -0.1739190267 0.1091638737 0.1465119241 -0.0056607715 -0.3429885909 -0.0025558942 0.0812766754 0.0118947600 -0.1489466696 -0.6031150505 -0.3917489877 0.1869094537 -0.3683236842 0.2535773693 0.0028579115 -0.0140610115 -0.0034562306 -0.0294428468 0.0514365127 -0.0373374826 0.0174595066 0.1244800305 0.0763048193 -0.0194628711 -0.0072583972 -0.0015509532 -0.0000762623 -0.0000423122 -0.0001927575 0.0000896944 -0.0002162757 0.0000753770 0.0002041026 0.0002543754 -0.0020363568 0.0000245904 -0.0000516960 -0.0000127184 -0.0000393924 0.0000408230 0.0000391995 0.0007051665 0.0002602297 -0.0001876762 -0.0002217316 -0.0006019781 -0.0005110476 0.0000036470 -0.0000735548 0.0002265327 -0.0000496717 -0.0001117396 -0.0002543795 0.0006654093 0.0018812522 0.0014532584 0.0000178651 -0.0006415828 0.0016133274 -0.0000593892 -0.0005547413 -0.0002881992 0.0014450054 0.0060464947 0.0036955569 -0.0007824833 0.0006335166 -0.0003292942 -0.0000364433 0.0000473054 0.0000050567 0.0000137818 -0.0000134982 0.0000126219 0.0003346070 -0.0004932937 -0.0003427995 -0.0002505887 -0.0002475188 0.0002203775 -0.0000662358 0.0002753952 0.0001450912 0.0030850081 0.0005631975 -0.0010185481 -0.0000754541 0.0021304162 -0.0018393836 0.0000174792 -0.0000478797 -0.0000128874 -0.0002857910 0.0005213378 0.0003571954 0.0000161473 -0.0000494665 0.0000555613 0.0003287171 -0.0003092505 0.0006650509 0.0001528021 0.0048885019 -0.0033857127 -0.0036550180 -0.0011201909 -0.0052706155 -0.0002383863 -0.0007224046 -0.0012512263 0.0154568547 -0.0066617123 -0.0812105665 -0.2308287689 -0.0795474094 0.8901298172 0.0408418980 0.1721046472 0.0817467797 0.0012309915 0.0071748788 -0.0250865337 0.0532528950 -0.0833707861 0.0428241506 -0.0726856438 -0.0101413196 0.2510248254 0.0019359250 -0.0065599194 0.0072699727 -0.0409457421 0.0794036355 -0.0481224653 0.0186021029 0.0017319870 -0.0363641326 0.0005159876 -0.0035585788 0.0003652706 0.0051125891 0.0196577055 0.0128423981 -0.0112507960 0.0224199867 -0.0150799418 0.0011040821 0.0029418289 0.0000669826 0.0084887261 -0.0153986566 0.0110622159 -0.0021330875 -0.0164628924 -0.0104679971 -0.0190230853 -0.0025089524 -0.0018341116 0.0002314320 -0.0002762371 0.0006836646 0.0000133515 -0.0005898349 0.0030874867 0.0059093479 0.0063653686 -0.0373149855 -0.0000454336 0.0002041470 0.0000796303 0.0002432100 0.0005627046 0.0002951674 -0.0010117630 -0.0005237396 0.0005135931 -0.0019546743 -0.0054197510 -0.0045083621 0.0001915721 -0.0001363107 0.0004468069 -0.0005047387 -0.0012449139 -0.0023050709 0.0069507833 0.0193580524 0.0149611993 0.0000007217 -0.0054071697 0.0133801687 0.0007095271 -0.0061600569 -0.0019957117 0.0125058139 0.0545435420 0.0336467774 -0.0208641766 0.0198510989 -0.0094282696 0.0007352648 -0.0003449383 -0.0005848206 -0.0001080359 0.0000142986 0.0000692118 -0.0051552828 0.0049310253 0.0046420353 -0.0438558989 -0.0498613221 0.0370903044 -0.0534997305 0.1030688078 0.0727397232 0.5826297790 0.0962529439 -0.1897690450 -0.0119558880 0.3944887928 -0.3303686861 -0.0048886325 0.0315485128 -0.0102448761 0.0569703470 -0.1232286764 -0.0817504619 0.0000651553 -0.2616605219 0.2149275867 0.0179694264 -0.0036445361 0.0345318565 0.0081220448 0.1242174891 -0.0950110974 -0.2152091145 -0.0722483547 -0.3244436109 0.0000885510 -0.0004506841 0.0010091541 -0.0001078883 -0.0000924580 0.0004687310 0.0013721662 0.0004922253 -0.0055795635 -0.0000054862 0.0005095770 0.0001246498 0.0000422109 -0.0000949204 0.0001327439 -0.0008700393 0.0012328819 -0.0006748519 0.0003153980 -0.0000065193 -0.0009583134 -0.0000748524 0.0002177486 -0.0002036366 0.0013229355 -0.0025442835 0.0016350589 -0.0003959323 0.0000593662 0.0008678865 0.0000074706 0.0001860151 0.0000459207 -0.0004371299 -0.0016040525 -0.0010252762 0.0003191912 -0.0006109627 0.0004339122 -0.0001769416 -0.0000735547 -0.0001150579 0.0002921717 -0.0006077427 0.0004506755 0.0001456111 0.0011767407 0.0007145824 0.0016623501 0.0002893557 0.0002039879 -0.0000268742 -0.0002179959 -0.0004816437 -0.0000024359 0.0001326623 -0.0003160583 -0.0000142041 -0.0005747588 0.0026489976 -0.0001591125 0.0005456430 -0.0000256040 -0.0027661482 -0.0028052250 0.0003870672 0.0298015198 0.0113868397 -0.0088140297 0.0051066907 0.0180765031 0.0139447485 -0.0013656785 0.0043356883 -0.0098346679 -0.0001432660 -0.0001760407 -0.0002257405 0.0008346455 0.0020652407 0.0017038159 0.0003595994 -0.0006825306 0.0013125923 -0.0006768392 0.0010104914 -0.0002264962 -0.0007553748 -0.0026447508 -0.0016522118 0.0091647954 -0.0090837221 0.0037698016 0.0000737954 -0.0001475932 0.0002001781 0.0000119998 0.0000758030 -0.0001225304 -0.0002926180 0.0001927399 -0.0001838666 -0.0264422322 -0.0271881356 0.0235020130 -0.0199685866 0.0358892279 0.0282401554 0.3441882989 0.0569435902 -0.1113131356 -0.0057517927 0.2323618709 -0.1941504970 0.0013273040 -0.0053917674 -0.0003192954 -0.0172629461 0.0373268144 0.0248364722 -0.0021773802 0.0305934865 -0.0264748172 -0.0350828161 0.0128156968 -0.0721702550 -0.0139212984 -0.2978160093 0.2291525660 0.4267384088 0.1444069107 0.6420523341 0.0002008498 0.0003960700 -0.0020300546 0.0000377891 -0.0000426875 -0.0002488236 -0.0005935389 -0.0003153286 0.0022922364 0.0002046266 0.0006539522 0.0005746171 0.0000036427 0.0000001195 -0.0000531615 0.0000841647 0.0000326817 0.0000246778 -0.0001379785 0.0000432248 0.0005406262 0.0001987668 -0.0002469368 -0.0000423331 -0.0013485158 0.0028180366 -0.0019155260 -0.0008829129 -0.0001044601 0.0023157813 0.0000038850 -0.0002848282 -0.0000445926 0.0006200862 0.0021897608 0.0014431949 -0.0006833346 0.0012626201 -0.0008632023 -0.0000146549 0.0002199260 0.0000030412 0.0006538916 -0.0012040606 0.0008737131 -0.0001978382 -0.0013617349 -0.0008554559 -0.0003205323 -0.0000182355 -0.0000279596 -0.0002064244 0.0006227500 0.0008863150 -0.0000384597 -0.0000201744 0.0004849549 -0.0000735469 0.0006318105 -0.0028557244 0.0003984103 -0.0011560822 -0.0000736383 -0.0015813235 -0.0016959554 0.0003261522 0.0166819899 0.0062880036 -0.0048584474 0.0029384522 0.0108830063 0.0080880339 -0.0007495040 0.0033732725 -0.0072987772 -0.0001578539 -0.0003412464 -0.0000291771 0.0012114095 0.0027747081 0.0021827853 0.0002549735 0.0005994652 -0.0016806789 0.0020360266 -0.0032784703 0.0004312506 0.0028496629 0.0113472139 0.0072814818 -0.0272324199 0.0276402007 -0.0117390948 0.0000715396 -0.0000726706 -0.0002187699 0.0000618928 -0.0000483668 0.0000239042 -0.0014405099 0.0012231836 0.0010694283 0.0013565367 -0.0005808698 -0.0007532816 -0.0033382616 0.0083240151 0.0055436403 -0.0124395449 -0.0023552332 0.0041062026 0.0002021088 0.0003351127 0.0001826808 -0.0000701476 0.0018380171 -0.0013290957 0.0009108441 -0.0015676724 -0.0010668630 -0.0005695050 -0.0200909890 0.0159098441 -0.0019542621 0.0008594834 -0.0039931489 -0.0008127944 -0.0175941438 0.0136172582 0.0231538290 0.0080811814 0.0345076876 0.0006808952 0.0000063011 -0.0017180471 0.0006151024 -0.0000324451 -0.0040387289 -0.0115447016 -0.0041819451 0.0473554261 0.0012487887 0.0032651184 0.0011857816 0.0001741743 -0.0010563696 0.0018271798 -0.0055820788 0.0111406924 -0.0053265703 0.0030292322 0.0000489990 -0.0148546023 -0.0000629580 -0.0086817785 0.0155215175 -0.0525737289 0.1063222881 -0.0628526744 0.0528955852 -0.0030049688 -0.1216568443 0.0005248945 -0.0017219744 0.0006516901 0.0012843248 0.0051359369 0.0031269364 -0.0084059019 0.0151709523 -0.0101701255 -0.0036023466 0.0013445796 -0.0019901142 0.0127287249 -0.0243805917 0.0172795756 -0.0002140111 0.0028082837 0.0013831370 0.0311182201 0.0060179223 0.0037630843 -0.0002295413 -0.0001122138 0.0005915350 0.0002349251 0.0005201174 0.0006962301 -0.0000113621 0.0007409464 -0.0047349821 0.0000166398 -0.0001746178 0.0001283664 -0.0086115978 -0.0121522142 -0.0017560092 0.0797213489 0.0314860452 -0.0247363141 0.0306516891 0.0962445939 0.0790133986 -0.0027428457 0.0114791441 -0.0341045806 0.0014134268 0.0054753069 -0.0012795635 -0.0181590060 -0.0416639774 -0.0321557787 -0.0004609402 -0.0195908583 0.0471098757 -0.0374463699 0.0806007083 0.0006080107 -0.1043047521 -0.4019692640 -0.2555220347 0.5524170154 -0.5594118159 0.2372427881 -0.0043593949 0.0030974375 0.0042311189 0.0001797384 -0.0000907843 -0.0003270780 0.0408477889 -0.0325154032 -0.0298912564 -0.0003014209 0.0001515659 0.0001518930 0.0006955552 -0.0018486094 -0.0012173534 0.0028173593 0.0005120700 -0.0009380331 -0.0000417018 -0.0003175776 0.0001870946 -0.0000436715 0.0000946339 0.0000754685 0.0005151483 -0.0012615626 -0.0008211168 0.0001965319 0.0000652887 0.0000874040 0.0003994585 -0.0001800960 0.0008571823 0.0001391751 0.0037760643 -0.0029923781 -0.0048533022 -0.0017401067 -0.0071752937 -0.0000498315 0.0001880447 0.0008182671 -0.0009527177 0.0004531083 0.0057561959 0.0189142876 0.0062671914 -0.0637014482 -0.0035098162 -0.0136902496 -0.0074670467 0.0001718372 -0.0059548930 0.0141003853 -0.0357617134 0.0659858378 -0.0318738393 0.0334222779 0.0031651239 -0.1309604953 0.0000735325 -0.0427839217 0.0753905557 -0.2574685338 0.5227922680 -0.3089409026 0.2547146912 -0.0156138175 -0.5883620789 0.0022001761 -0.0085537356 0.0025320409 0.0083825266 0.0319636489 0.0196514618 -0.0394366677 0.0699963367 -0.0471254969 -0.0207681514 0.0073671377 -0.0109547467 0.0699540844 -0.1348967993 0.0958184232 -0.0017077712 0.0141517380 0.0068801492 0.1829685805 0.0351182627 0.0219732302 -0.0001451599 0.0000835348 -0.0003218765 0.0002676513 0.0000931055 -0.0008721566 -0.0012951035 -0.0012708277 0.0079554259 -0.0000196287 0.0000374619 -0.0000747425 0.0022491108 0.0030638820 0.0004884227 -0.0208247705 -0.0081889447 0.0063988209 -0.0076965703 -0.0245919694 -0.0201259901 0.0006487427 -0.0026720652 0.0080934361 -0.0002373655 -0.0009859996 0.0004456090 0.0030927341 0.0067492809 0.0052249214 0.0001378537 0.0043879022 -0.0106131072 0.0073814011 -0.0158032445 -0.0001027508 0.0205258117 0.0784651656 0.0498880666 -0.1085333451 0.1100851527 -0.0465917740 0.0007267793 -0.0006273735 -0.0008387142 0.0000135387 -0.0000011479 0.0000808097 -0.0078247390 0.0065282322 0.0057730998 -0.0013526807 -0.0018423546 0.0011935082 -0.0028175666 0.0053365184 0.0043368071 0.0195680307 0.0025527155 -0.0060253347 0.0001147693 0.0144529819 -0.0114598132 -0.0004468174 0.0051735689 -0.0028314851 0.0054001934 -0.0117968843 -0.0078394523 0.0004541548 -0.0491120178 0.0402732870 -0.0009216286 0.0005533702 -0.0018487511 -0.0003749229 -0.0092253339 0.0070523417 0.0105586742 0.0035152245 0.0154111784 0.0000608294 0.0000868269 -0.0002785902 0.0000875351 0.0000708578 -0.0005425078 -0.0017025999 -0.0005735609 0.0066399164 0.0000617736 -0.0003406623 -0.0001772137 -0.0000309063 0.0000130565 0.0000285382 0.0003417570 -0.0003433221 0.0002094914 0.0000310848 -0.0000228367 -0.0004364156 -0.0000516389 -0.0001153929 0.0002879305 -0.0009143033 0.0014214486 -0.0008183678 0.0011573198 0.0000296190 -0.0026902052 0.0001839544 -0.0002605297 0.0002543713 -0.0001385787 -0.0004882299 -0.0003718716 -0.0016395655 0.0034560345 -0.0023862640 0.0040063355 -0.0008367498 0.0021699412 -0.0119956806 0.0241336926 -0.0173942445 -0.0003055659 -0.0075395064 -0.0042745583 -0.0354536937 -0.0065601469 -0.0043763775 -0.0000148223 -0.0000115255 0.0000746462 0.0000665541 0.0000565491 0.0000488546 -0.0000379853 0.0000022096 -0.0001642841 0.0000585820 -0.0000941229 0.0000176100 0.0577487323 0.0683924221 0.0136209904 -0.5406752697 -0.2108941610 0.1622619383 -0.1676533605 -0.5657704783 -0.4609329399 0.0171696149 -0.0415527545 0.1370873615 0.0032111112 0.0079489094 0.0071110192 -0.0294536772 -0.0922194674 -0.0717589037 -0.0009613134 0.0039506670 -0.0116760337 -0.0057587626 0.0130537007 0.0006621460 -0.0220162401 -0.0728513036 -0.0451726487 0.0850482503 -0.0866967198 0.0353436043 -0.0008741059 0.0006522237 0.0009880592 0.0000078416 -0.0000218405 -0.0002049608 0.0094845444 -0.0075379405 -0.0072966599 0.0001072740 -0.0000057181 -0.0000263516 -0.0000134355 0.0001294213 0.0001298321 -0.0012522680 -0.0002545983 0.0004232943 0.0000437863 0.0001915603 -0.0001337911 0.0000150175 0.0001476907 -0.0001799572 -0.0002345973 0.0004987719 0.0002985996 0.0000287415 -0.0021816251 0.0017409763 -0.0000903300 -0.0000196575 -0.0002000188 -0.0000372663 -0.0004001965 0.0003470779 0.0012591136 0.0004295297 0.0018786466 0.0000197859 -0.0001050247 -0.0001987639 0.0002833924 -0.0000492154 -0.0014181734 -0.0052338516 -0.0016365979 0.0164896821 0.0006114977 0.0027123991 0.0014721000 -0.0000142566 0.0023230022 -0.0052643410 0.0137500816 -0.0258385305 0.0124195257 -0.0126055543 -0.0006114967 0.0493030253 0.0002700260 0.0113321396 -0.0197663321 0.0709534170 -0.1386095754 0.0814311211 -0.0672747454 0.0030087885 0.1551530208 -0.0043760853 0.0073050106 -0.0058947802 0.0011073031 0.0036807998 0.0032788585 0.0440554172 -0.0886765112 0.0606191164 -0.0779907784 0.0145740978 -0.0421036681 0.2274604726 -0.4599208298 0.3314288293 0.0070140340 0.1565145471 0.0889774579 0.6946953044 0.1281592261 0.0855791929 0.0000322035 -0.0000065028 0.0000937246 -0.0001462283 -0.0000821687 0.0003930387 0.0006538378 0.0007232336 -0.0038696084 -0.0000134813 0.0000178695 0.0000205560 0.0028259398 0.0032601629 0.0006119591 -0.0268020751 -0.0104458779 0.0080405778 -0.0078706652 -0.0266542726 -0.0217457929 0.0009038710 -0.0019528728 0.0064344824 0.0001712434 0.0004653206 0.0002331063 -0.0015600535 -0.0047669929 -0.0037320456 -0.0000820503 -0.0004605045 0.0010957677 -0.0005512089 0.0010573098 -0.0000165957 -0.0014890941 -0.0050402993 -0.0031646767 0.0076395559 -0.0077841132 0.0031979583 0.0000553286 0.0000411368 0.0000972161 -0.0000523728 0.0000231096 -0.0000373966 0.0004640920 -0.0005399932 -0.0003793537 0.0220296416 0.0093211485 -0.0191896731 -0.0262279826 0.0730392021 0.0371349673 -0.2399250644 -0.0422079906 0.0764100829 0.0070062225 -0.1419340709 0.1229306124 -0.0070677238 0.0724009006 -0.0371352546 0.0850517411 -0.1911829436 -0.1235659971 0.0032266550 -0.6756723384 0.5566399049 -0.0074213305 0.0095028905 -0.0192465361 -0.0090816897 -0.1325758900 0.1015549790 0.0895664776 0.0289129619 0.1299799746 0.0002446259 0.0000597278 -0.0008668780 0.0000286012 -0.0000388661 -0.0000558567 -0.0000884433 -0.0001087406 0.0004620916 0.0000654484 0.0005205816 0.0002638890 0.0000431087 -0.0000115015 -0.0001232123 -0.0001694557 0.0001899674 -0.0001372601 -0.0004136866 -0.0000550700 0.0015245092 0.0000403245 0.0001214580 -0.0003256705 0.0007843859 -0.0014335784 0.0008167537 -0.0012022812 0.0000230812 0.0030388003 0.0000061609 0.0000423578 0.0000170244 -0.0001273391 -0.0004301125 -0.0002588708 0.0000516337 -0.0001130003 0.0000818005 0.0000808339 -0.0002987001 -0.0000317204 -0.0007204404 0.0013789515 -0.0010205851 0.0003201457 0.0023267495 0.0014623384 -0.0006008785 -0.0001596548 -0.0000544687 -0.0004205229 0.0001903751 0.0003267157 -0.0000801367 -0.0000405765 0.0003240274 -0.0000017831 0.0006011183 -0.0023899027 0.0002152584 -0.0005550389 0.0001330951 -0.0029208001 -0.0031221632 -0.0013235578 0.0271260730 0.0106688560 -0.0082466364 0.0089086600 0.0290643341 0.0243599956 -0.0007062785 -0.0011814693 0.0000246533 -0.0002980869 -0.0009382643 -0.0005585691 0.0033390837 0.0100679355 0.0077567665 -0.0000251490 0.0005320974 -0.0011692119 0.0016260539 -0.0038813450 -0.0002077949 0.0057834679 0.0213582746 0.0139628211 -0.0250790876 0.0256634147 -0.0106841113 0.0005124137 -0.0003859459 -0.0003307960 -0.0000452307 0.0000032911 0.0000149551 -0.0041333597 0.0033772990 0.0028752279 -0.0000025412 -0.0001443507 0.0000347597 -0.0002769091 0.0007246513 0.0004848120 0.0003695271 0.0000667550 -0.0001047699 -0.0000330923 0.0009413076 -0.0007992579 0.0000383361 -0.0002692903 0.0001008935 -0.0004897007 0.0010718655 0.0006944214 0.0000213490 0.0022188148 -0.0018465048 -0.0000615978 -0.0001145033 -0.0000546815 -0.0000002411 0.0008903195 -0.0006570736 0.0007314904 0.0002511399 0.0012195592 0.0000335532 -0.0000975844 -0.0000878026 0.0001813745 -0.0000570407 -0.0006952942 -0.0026393627 -0.0008147049 0.0081152114 0.0006397006 0.0020437142 0.0009791101 0.0006246030 0.0004481661 -0.0037247581 0.0030680729 -0.0032279757 0.0014588606 -0.0131226244 -0.0020097862 0.0438315094 0.0008716117 -0.0019827987 0.0015106748 -0.0135016511 0.0233210420 -0.0140441475 0.0026529722 0.0005057785 -0.0059769323 0.0007098481 -0.0161388264 -0.0017777837 0.0253434995 0.1119084772 0.0737574506 -0.0353226966 0.0755281883 -0.0514349842 -0.0084859304 -0.0896593153 -0.0177264730 -0.1822450269 0.3370713114 -0.2571382243 0.0855766364 0.7080000207 0.4429498451 0.2022477372 0.0258722922 0.0241865643 -0.0000019201 0.0000222165 0.0000572354 -0.0000281932 0.0000592653 0.0000039811 0.0000758957 -0.0001399084 0.0003880734 -0.0000158655 0.0000450618 -0.0000053402 0.0000007304 -0.0000241756 0.0000201106 -0.0000634195 -0.0000154411 0.0000219595 0.0000471085 0.0001573905 0.0001312201 -0.0000056891 0.0001464606 -0.0003780704 -0.0000023776 -0.0000055477 -0.0000168733 0.0000403313 0.0001184815 0.0000885857 -0.0000074150 -0.0000449544 0.0001179455 0.0000558143 -0.0001306000 -0.0000014990 0.0001939003 0.0006728137 0.0004290674 -0.0008501185 0.0008956158 -0.0003839042 0.0000650066 -0.0000431804 -0.0000178447 -0.0000192506 0.0000128006 -0.0000094946 -0.0004243420 0.0004154180 0.0003377585 -0.0492764236 0.0724125365 0.0308754856 0.2816971065 -0.7285950033 -0.4294605283 0.3111491807 0.0590722811 -0.1036790535 -0.0001279538 -0.1952104078 0.1660813269 -0.0026821365 0.0126495414 -0.0013555747 0.0274773717 -0.0749637471 -0.0509585805 0.0018446301 -0.0775147350 0.0633573711 0.0001697542 0.0010624656 -0.0008741190 -0.0015435905 -0.0112176620 0.0088552180 0.0011681278 0.0005366606 0.0029579067 0.0004284832 -0.0006967595 -0.0002790444 -0.0000009336 0.0000182370 -0.0000797370 -0.0002114502 -0.0001645836 0.0009844581 -0.0000485890 -0.0001328369 -0.0000023512 -0.0000093992 0.0000281261 -0.0000316867 0.0002247247 -0.0003183405 0.0001735777 -0.0000776836 0.0000123200 0.0002264252 0.0000160295 0.0000370993 -0.0000949192 0.0001980765 -0.0005337993 0.0002434297 -0.0003346590 -0.0000054884 0.0008459333 -0.0000083921 -0.0000461804 -0.0000188635 0.0001345345 0.0004729048 0.0003077218 -0.0000147386 0.0000751386 -0.0000582059 -0.0000332832 -0.0001240731 -0.0000328589 -0.0002162349 0.0003794418 -0.0002972695 0.0001075886 0.0010336024 0.0006382565 0.0005050816 0.0000817069 0.0000607307 -0.0001243967 0.0001258703 0.0001609944 0.0001269627 0.0004430710 -0.0000431833 -0.0005676162 -0.0008141921 0.0028727224 -0.0003183481 0.0001444649 -0.0001481041 -0.0001190514 -0.0001397814 -0.0018220266 -0.0019217504 -0.0004655608 0.0004632557 0.0025388306 0.0084315468 0.0073452613 0.0010166940 -0.0065641282 0.0140886261 0.0000148360 -0.0000370715 -0.0003882821 0.0003762692 0.0016983271 0.0011713142 -0.0001212580 -0.0012783687 0.0032437936 -0.0003006091 0.0008655496 0.0001549460 -0.0011101496 -0.0056158224 -0.0031148303 0.0051162360 -0.0052330976 0.0027952814 -0.0014660626 0.0008875308 -0.0005752145 0.0003542356 -0.0001506443 0.0006842822 0.0068774892 -0.0052497617 -0.0030556814 -0.0000235474 0.0019207812 0.0001674309 0.0052898995 -0.0165490066 -0.0093126249 -0.0054370423 -0.0010560993 0.0017678042 -0.0001202875 -0.0076253645 0.0062838775 -0.0000867553 0.0006392000 -0.0002139262 0.0010209287 -0.0025509440 -0.0015325444 0.0003914888 -0.0040640843 0.0037319448 0.0000278454 0.0000420971 0.0000434125 -0.0000505902 -0.0003020980 0.0002041489 -0.0003916126 -0.0001552534 -0.0005830247 -0.0000215515 0.0000317391 0.0000718740 0.0000063557 -0.0000067607 0.0000085974 -0.0000016604 0.0000097297 -0.0000632591 0.0000001524 0.0000937234 0.0000256260 0.0000074793 -0.0000057789 -0.0000139776 -0.0000770356 0.0000856898 -0.0000208629 -0.0000287581 -0.0000143186 0.0002237391 0.0000011282 0.0000094552 -0.0000234203 0.0000904621 -0.0001056315 0.0000916616 -0.0001056946 0.0000054014 0.0002566860 -0.0000016575 0.0000105143 -0.0000015771 -0.0000234169 -0.0000510928 0.0000056489 0.0000191536 -0.0000778125 0.0000941287 -0.0000208173 0.0000265516 -0.0000171361 0.0001739787 -0.0003202677 0.0002629704 0.0000075860 -0.0000382323 0.0000162059 0.0000827923 0.0000064921 0.0000527959 0.0000039707 -0.0000041641 -0.0000443792 -0.0000312048 -0.0000535675 0.0000412652 0.0000788891 0.0001460069 -0.0006799844 0.0000007896 -0.0000096278 -0.0000084846 -0.0043561428 -0.0130136193 0.0912598423 0.1833996629 0.0743712673 -0.0504521135 -0.0787364753 -0.2548636874 -0.1954250850 -0.0478255447 0.3353719830 -0.8469451224 0.0008471578 0.0002928097 0.0083352720 -0.0083409320 -0.0298458694 -0.0239510492 -0.0046894572 0.0305664437 -0.0718947225 0.0003445722 -0.0006862036 -0.0000808505 0.0002200823 0.0025518422 0.0017020583 -0.0040606474 0.0035382003 -0.0016827083 0.0004387236 -0.0001473729 -0.0003159981 -0.0003363470 -0.0000587832 0.0003327755 -0.0014696805 0.0022873492 0.0014999640 -0.0002022028 0.0001327701 0.0001733135 0.0008015084 -0.0024176037 -0.0011139766 0.0016788620 0.0002367297 -0.0005782224 -0.0000684423 0.0005146085 -0.0003431926 -0.0000048141 -0.0000749893 0.0000766461 0.0002500742 -0.0002973204 -0.0002650168 -0.0000030140 0.0009066874 -0.0008011112 0.0001453335 0.0002714692 0.0002154334 -0.0002813881 0.0006443130 -0.0000997048 -0.0023731102 -0.0011690806 -0.0041442671 0.0015025734 -0.0044172384 -0.0005760377 -0.0020027824 0.0021852085 0.0030063732 0.0078845436 0.0034729946 -0.0342183155 -0.0007120727 -0.0166677375 -0.0062552486 -0.0003582525 -0.0000384140 0.0006623418 0.0020842813 -0.0006719354 0.0001351014 0.0046673607 0.0000403898 -0.0078647012 0.0000259587 -0.0002179437 0.0003438706 -0.0010943242 0.0023570001 -0.0008490325 0.0009968183 -0.0002920660 -0.0034415629 0.0000063848 -0.0001015081 -0.0000018409 0.0003263194 0.0008400147 0.0004905967 -0.0003891716 0.0006572462 -0.0005244679 0.0001056053 -0.0001182565 0.0001214651 -0.0007586425 0.0017510926 -0.0011935068 0.0000081344 -0.0002703298 -0.0000479570 -0.0003614723 -0.0000327224 -0.0001717491 0.0000435574 0.0002080170 -0.0007316460 -0.0054499610 -0.0119581494 0.0845283460 0.0592102863 0.1704224688 -0.9789287680 -0.0001502819 0.0003451444 -0.0000177375 0.0000550863 0.0000248031 -0.0000701711 -0.0009570389 -0.0003035911 0.0002786602 0.0000708388 0.0001548394 0.0001522939 0.0000570019 -0.0002118746 0.0004395612 0.0000248516 0.0000459874 0.0000131972 -0.0003132877 -0.0005989872 -0.0004327272 -0.0000359130 -0.0000047266 0.0000955831 0.0003350523 -0.0003035884 0.0001040390 0.0006046385 -0.0009341444 -0.0008467765 -0.0034371451 0.0040378714 -0.0014511848 0.0005297695 0.0002684923 0.0006422950 -0.0003525251 0.0002659247 -0.0003689715 0.0023891130 -0.0048798193 -0.0028279150</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.26788169" y3="-2.13175683" z3="0.64575871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="2.91546263" y3="-1.22676432" z3="1.169486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.30614728" y3="-1.95043853" z3="0.31183855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.28455932" y3="-2.97320977" z3="1.36551833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.35674676" y3="-2.4404889" z3="-0.53746569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="2.73223635" y3="-3.31925576" z3="-1.10013477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.34613375" y3="-1.58915936" z3="-1.239619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="0.90968926" y3="-2.72357208" z3="-0.13474472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="0.87727871" y3="-3.61198728" z3="0.52568992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.31522079" y3="-2.93140633" z3="-1.04169159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.21509192" y3="-0.62857348" z3="-0.13343505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.54707772" y3="1.49060089" z3="0.0681497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.2691353" y3="1.58556115" z3="-0.99814152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.3249604" y3="2.4742764" z3="0.53997329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-3.07135391" y3="1.27662262" z3="0.14809951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.5935572" y3="2.15107972" z3="-0.29658207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.37051364" y3="1.24348092" z3="1.21432699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.53621241" y3="0.00272421" z3="-0.5578019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-3.10235999" y3="-0.86851821" z3="-0.0342799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.09708306" y3="-0.02080812" z3="-1.57130432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-5.05559565" y3="-0.16006194" z3="-0.65883676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-5.27885725" y3="-1.06934542" z3="-1.24877528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-5.48067667" y3="0.68767016" z3="-1.2320464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-5.77017209" y3="-0.25939133" z3="0.68911323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-5.34695834" y3="-1.08007039" z3="1.29673839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-5.66389424" y3="0.67097872" z3="1.27364992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-6.8510545" y3="-0.45328076" z3="0.56159132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.14895523" y3="-0.66864716" z3="-1.37299419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.70949756" y3="0.40248244" z3="0.67210353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.78539512" y3="0.20819182" z3="1.74714878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.32207305" y3="-1.68603521" z3="0.60036779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="4.19309043" y3="1.22193221" z3="-0.75435696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="5.18946223" y3="1.60733023" z3="-1.04258713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="3.94228551" y3="0.38059969" z3="-1.42547503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="4.24286155" y3="0.81914853" z3="0.26891061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="3.12585428" y3="2.31141221" z3="-0.8443141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.40538611" y3="3.15691193" z3="-0.18485819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="3.10781386" y3="2.71877255" z3="-1.87350142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.71059595" y3="1.82365333" z3="-0.49646578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.47801577" y3="0.90928318" z3="-1.07565416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.96835375" y3="2.57680174" z3="-0.81305586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.51360829" y3="1.5640687" z3="0.9899206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="2.27934736" y3="0.8936245" z3="1.66582536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.79779615" y3="2.25939912" z3="1.4941745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" 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 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:3.2679,-2.1318,.6458;2.9155,-1.2268,1.1695;4.3061,-1.9504,.3118;3.2846,-2.9732,1.3655;2.3567,-2.4405,-.5375;2.7322,-3.3193,-1.1001;2.3461,-1.5892,-1.2396;.9097,-2.7236,-.1347;.8773,-3.612,.5257;.3152,-2.9314,-1.0417;-.2151,-.6286,-.1334;-1.5471,1.4906,.0681;-1.2691,1.5856,-.9981;-1.325,2.4743,.54;-3.0714,1.2766,.1481;-3.5936,2.1511,-.2966;-3.3705,1.2435,1.2143;-3.5362,.0027,-.5578;-3.1024,-.8685,-.0343;-3.0971,-.0208,-1.5713;-5.0556,-.1601,-.6588;-5.2789,-1.0693,-1.2488;-5.4807,.6877,-1.232;-5.7702,-.2594,.6891;-5.347,-1.0801,1.2967;-5.6639,.671,1.2736;-6.8511,-.4533,.5616;-.149,-.6686,-1.373;-.7095,.4025,.6721;-.7854,.2082,1.7471;.3221,-1.686,.6004;4.1931,1.2219,-.7544;5.1895,1.6073,-1.0426;3.9423,.3806,-1.4255;4.2429,.8191,.2689;3.1259,2.3114,-.8443;3.4054,3.1569,-.1849;3.1078,2.7188,-1.8735;1.7106,1.8237,-.4965;1.478,.9093,-1.0757;.9684,2.5768,-.8131;1.5136,1.5641,.9899;2.2793,.8936,1.6658;.7978,2.2594,1.4942;</scalar>
</formula>
</molecule>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.26788169" y3="-2.13175683" z3="0.64575871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="2.91546263" y3="-1.22676432" z3="1.169486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.30614728" y3="-1.95043853" z3="0.31183855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.28455932" y3="-2.97320977" z3="1.36551833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.35674676" y3="-2.4404889" z3="-0.53746569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="2.73223635" y3="-3.31925576" z3="-1.10013477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.34613375" y3="-1.58915936" z3="-1.239619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="0.90968926" y3="-2.72357208" z3="-0.13474472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="0.87727871" y3="-3.61198728" z3="0.52568992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.31522079" y3="-2.93140633" z3="-1.04169159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.21509192" y3="-0.62857348" z3="-0.13343505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.54707772" y3="1.49060089" z3="0.0681497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.2691353" y3="1.58556115" z3="-0.99814152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.3249604" y3="2.4742764" z3="0.53997329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-3.07135391" y3="1.27662262" z3="0.14809951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.5935572" y3="2.15107972" z3="-0.29658207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.37051364" y3="1.24348092" z3="1.21432699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.53621241" y3="0.00272421" z3="-0.5578019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-3.10235999" y3="-0.86851821" z3="-0.0342799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.09708306" y3="-0.02080812" z3="-1.57130432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-5.05559565" y3="-0.16006194" z3="-0.65883676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-5.27885725" y3="-1.06934542" z3="-1.24877528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-5.48067667" y3="0.68767016" z3="-1.2320464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-5.77017209" y3="-0.25939133" z3="0.68911323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-5.34695834" y3="-1.08007039" z3="1.29673839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-5.66389424" y3="0.67097872" z3="1.27364992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-6.8510545" y3="-0.45328076" z3="0.56159132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.14895523" y3="-0.66864716" z3="-1.37299419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.70949756" y3="0.40248244" z3="0.67210353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.78539512" y3="0.20819182" z3="1.74714878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.32207305" y3="-1.68603521" z3="0.60036779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="4.19309043" y3="1.22193221" z3="-0.75435696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="5.18946223" y3="1.60733023" z3="-1.04258713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="3.94228551" y3="0.38059969" z3="-1.42547503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="4.24286155" y3="0.81914853" z3="0.26891061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="3.12585428" y3="2.31141221" z3="-0.8443141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.40538611" y3="3.15691193" z3="-0.18485819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="3.10781386" y3="2.71877255" z3="-1.87350142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.71059595" y3="1.82365333" z3="-0.49646578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.47801577" y3="0.90928318" z3="-1.07565416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.96835375" y3="2.57680174" z3="-0.81305586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.51360829" y3="1.5640687" z3="0.9899206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="2.27934736" y3="0.8936245" z3="1.66582536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.79779615" y3="2.25939912" z3="1.4941745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a8 a9" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a11 a31" order="S"/>
                        <bond atomRefs2="a11 a28" order="S"/>
                        <bond atomRefs2="a11 a29" order="S"/>
                        <bond atomRefs2="a12 a14" order="S"/>
                        <bond atomRefs2="a12 a15" order="S"/>
                        <bond atomRefs2="a12 a13" order="S"/>
                        <bond atomRefs2="a12 a29" order="S"/>
                        <bond atomRefs2="a15 a18" order="S"/>
                        <bond atomRefs2="a15 a16" order="S"/>
                        <bond atomRefs2="a15 a17" 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 a25" order="S"/>
                        <bond atomRefs2="a24 a27" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a39 a42" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a42 a44" order="S"/>
                        <bond atomRefs2="a42 a43" order="S"/>
                     </bondArray>
                     <formula concise="C14H27O3">
                        <atomArray count="14 27 3" elementType="C H O"/>
                     </formula>
                     <property dictRef="cml:molmass">
                        <scalar units="unit:dalton">216.148</scalar>
                     </property>
                  <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:3.2679,-2.1318,.6458;2.9155,-1.2268,1.1695;4.3061,-1.9504,.3118;3.2846,-2.9732,1.3655;2.3567,-2.4405,-.5375;2.7322,-3.3193,-1.1001;2.3461,-1.5892,-1.2396;.9097,-2.7236,-.1347;.8773,-3.612,.5257;.3152,-2.9314,-1.0417;-.2151,-.6286,-.1334;-1.5471,1.4906,.0681;-1.2691,1.5856,-.9981;-1.325,2.4743,.54;-3.0714,1.2766,.1481;-3.5936,2.1511,-.2966;-3.3705,1.2435,1.2143;-3.5362,.0027,-.5578;-3.1024,-.8685,-.0343;-3.0971,-.0208,-1.5713;-5.0556,-.1601,-.6588;-5.2789,-1.0693,-1.2488;-5.4807,.6877,-1.232;-5.7702,-.2594,.6891;-5.347,-1.0801,1.2967;-5.6639,.671,1.2736;-6.8511,-.4533,.5616;-.149,-.6686,-1.373;-.7095,.4025,.6721;-.7854,.2082,1.7471;.3221,-1.686,.6004;4.1931,1.2219,-.7544;5.1895,1.6073,-1.0426;3.9423,.3806,-1.4255;4.2429,.8191,.2689;3.1259,2.3114,-.8443;3.4054,3.1569,-.1849;3.1078,2.7188,-1.8735;1.7106,1.8237,-.4965;1.478,.9093,-1.0757;.9684,2.5768,-.8131;1.5136,1.5641,.9899;2.2793,.8936,1.6658;.7978,2.2594,1.4942;</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">-774.605324858530</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.393586829254</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.211738029276</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">0.411484901136</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415261639413</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.190063219117</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">0.000067515747</scalar>
                     <scalar cmlx:templateRef="entropy-rot" dataType="xsd:double" dictRef="cc:s.rot" units="nonsi2:hartree.K-1">0.000053648578</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">0.000119904432</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.343386989337</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.261937869193</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">-774.605324858530</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.393586829254</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.211738029276</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">0.411484901136</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415261639413</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.190063219117</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">0.000067515747</scalar>
                     <scalar cmlx:templateRef="entropy-rot" dataType="xsd:double" dictRef="cc:s.rot" units="nonsi2:hartree.K-1">0.000053648578</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">0.000119904432</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.343386989337</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.261937869193</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C" id="a1" x3="-3.68596834" y3="-1.57318459" z3="10.77437896">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a2" x3="-3.37660778" y3="-0.64217712" z3="10.26938189">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a3" x3="-3.43189684" y3="-1.48072331" z3="11.84642048">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a4" x3="-4.78606189" y3="-1.67104323" z3="10.69318181">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a5" x3="-2.98120915" y3="-2.76985933" z3="10.14446913">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a6" x3="-3.24717524" y3="-3.70472555" z3="10.67842352">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a7" x3="-1.88709212" y3="-2.65186206" z3="10.22740577">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a8" x3="-3.31290344" y3="-2.96302496" z3="8.66495515">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a9" x3="-4.39955142" y3="-3.14371832" z3="8.55070984">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a10" x3="-2.76313582" y3="-3.84064126" z3="8.28195951">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a11" x3="-1.71688107" y3="-1.69384863" z3="7.44182081">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C" id="a12" x3="-0.22246563" y3="-0.30912672" z3="5.97383228">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a13" x3="0.56220921" y3="-0.92001291" z3="6.45792922">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a14" x3="0.11917425" y3="0.74868649" z3="6.03615824">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a15" x3="-0.27136884" y3="-0.68874978" z3="4.48081808">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a16" x3="0.71196146" y3="-0.47341064" z3="4.00985758">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a17" x3="-1.01012002" y3="-0.03825705" z3="3.97234797">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a18" x3="-0.62899581" y3="-2.15651826" z3="4.2463697">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a19" x3="-1.65607339" y3="-2.33207731" z3="4.61468646">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a20" x3="0.01827336" y3="-2.78487907" z3="4.88416341">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a21" x3="-0.5155434" y3="-2.62295604" z3="2.79213549">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a22" x3="-0.72182045" y3="-3.70933148" z3="2.74845675">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a23" x3="0.52879588" y3="-2.49634106" z3="2.44394447">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a24" x3="-1.45514548" y3="-1.90363344" z3="1.82405598">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a25" x3="-2.50426924" y3="-1.98797108" z3="2.16178196">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a26" x3="-1.21804394" y3="-0.82783515" z3="1.75329263">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a27" x3="-1.39065018" y3="-2.32859307" z3="0.80552204">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a28" x3="-0.88432897" y3="-2.55789179" z3="7.76240348">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a29" x3="-1.50098999" y3="-0.50753111" z3="6.73298555">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a30" x3="-2.38294789" y3="0.07686336" z3="6.45038171">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a31" x3="-3.03345609" y3="-1.8376525" z3="7.87907222">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a32" x3="-0.43243032" y3="0.00598514" z3="11.76648709">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a33" x3="-0.06180664" y3="0.2658366" z3="12.77618028">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a34" x3="-0.53101058" y3="-1.09313308" z3="11.70848659">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a35" x3="-1.43849417" y3="0.43128904" z3="11.62959121">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a36" x3="0.51108391" y3="0.51431329" z3="10.67771009">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a37" x3="0.61778996" y3="1.61373272" z3="10.765918">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a38" x3="1.52123113" y3="0.09408672" z3="10.84654926">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a39" x3="0.06989252" y3="0.14517762" z3="9.25259524">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a40" x3="-0.1465364" y3="-0.93916268" z3="9.19791317">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a41" x3="0.90069075" y3="0.32169187" z3="8.54761134">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a42" x3="-1.13357806" y3="0.94244135" z3="8.77138647">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O" id="a43" x3="-2.15991491" y3="1.07445569" z3="9.42092776">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H" id="a44" x3="-0.92099071" y3="1.6447" z3="7.92771426">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a11 a29" order="S"/>
                  <bond atomRefs2="a11 a31" order="S"/>
                  <bond atomRefs2="a11 a28" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a29" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
               </bondArray>
               <formula concise="C14H27O3">
                  <atomArray count="14 27 3" elementType="C H O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">216.148</scalar>
               </property>
            <formula convention="iupac:inchi" inline="InChI=1/C10H19O2.C4H8O/c1-3-5-6-7-8-10(11)12-9-4-2;1-2-3-4-5/h8H,3-7,9H2,1-2H3;4H,2-3H2,1H3">
<scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:24,1,21,5,18,15,12,29,8,11,28,31;32,36,39,42,43/CRV:8.3,10.3,11.1;4.3,5.1/rA:44nCHHHCHHCHHC3CHHCHHCHHCHHCHHHO1C3HOCHHHCHHCHHC3O1H/rB:s1;s1;s1;s1;s5;s5;s5;s8;s8;;;s12;s12;s12;s15;s15;s15;s18;s18;s18;s21;s21;s21;s24;s24;s24;s11;s11s12;s29;s8s11;;s32;s32;s32;s32;s36;s36;s36;s39;s39;s39;s42;s42;/rC:-3.686,-1.5732,10.7744;-3.3766,-.6422,10.2694;-3.4319,-1.4807,11.8464;-4.7861,-1.671,10.6932;-2.9812,-2.7699,10.1445;-3.2472,-3.7047,10.6784;-1.8871,-2.6519,10.2274;-3.3129,-2.963,8.665;-4.3996,-3.1437,8.5507;-2.7631,-3.8406,8.282;-1.7169,-1.6938,7.4418;-.2225,-.3091,5.9738;.5622,-.92,6.4579;.1192,.7487,6.0362;-.2714,-.6887,4.4808;.712,-.4734,4.0099;-1.0101,-.0383,3.9723;-.629,-2.1565,4.2464;-1.6561,-2.3321,4.6147;.0183,-2.7849,4.8842;-.5155,-2.623,2.7921;-.7218,-3.7093,2.7485;.5288,-2.4963,2.4439;-1.4551,-1.9036,1.8241;-2.5043,-1.988,2.1618;-1.218,-.8278,1.7533;-1.3907,-2.3286,.8055;-.8843,-2.5579,7.7624;-1.501,-.5075,6.733;-2.3829,.0769,6.4504;-3.0335,-1.8377,7.8791;-.4324,.006,11.7665;-.0618,.2658,12.7762;-.531,-1.0931,11.7085;-1.4385,.4313,11.6296;.5111,.5143,10.6777;.6178,1.6137,10.7659;1.5212,.0941,10.8465;.0699,.1452,9.2526;-.1465,-.9392,9.1979;.9007,.3217,8.5476;-1.1336,.9424,8.7714;-2.1599,1.0745,9.4209;-.921,1.6447,7.9277;</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">-774.605324858530</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="132">-0.000001821928 -0.000010148129 -0.000001939075 -0.000001498416 0.000006152104 -0.000001903916 -0.000000740038 0.000000208486 0.000001080166 -0.000000130227 -0.000001543512 -0.000002045370 0.000009199392 0.000000286582 0.000007623457 0.000000749316 0.000007548579 -0.000003128495 -0.000020133014 -0.000001590522 -0.000000216940 -0.000000191752 -0.000002708760 0.000004077500 -0.000000075503 -0.000001103444 -0.000000641260 -0.000001803433 0.000001081377 0.000002615298 0.000001906917 0.000003316426 -0.000001448526 0.000005027187 0.000003633833 0.000002656135 -0.000003053672 0.000001406618 -0.000003469826 -0.000001501931 -0.000003392949 0.000000019168 0.000001387757 0.000002015135 -0.000001768905 0.000001179701 -0.000000111694 -0.000001301771 0.000001137504 0.000002838196 0.000000452307 -0.000000070767 -0.000001849779 -0.000002734288 -0.000000849951 -0.000001611352 -0.000001239118 0.000000650685 -0.000001118223 0.000001382683 0.000003910137 0.000000512597 -0.000005026724 0.000002601448 0.000007219470 -0.000000277702 -0.000008282940 0.000001004215 0.000002925459 0.000002387906 0.000007807742 0.000000528477 0.000006559700 0.000000246858 -0.000003030238 -0.000001817883 -0.000016355273 0.000002727959 0.000002065007 0.000000839828 0.000004367039 0.000000241877 -0.000002842610 0.000000607610 -0.000006190283 -0.000000347733 0.000009950123 -0.000000322835 -0.000000795152 -0.000002361920 -0.000002776399 0.000005397738 -0.000004268325 -0.000021976681 -0.000010118087 -0.000016766188 0.000004439470 -0.000008759046 0.000020430854 -0.000004286471 -0.000009508328 0.000020027844 -0.000003805152 0.000007884971 0.000000727880 0.000015536308 -0.000020096750 -0.000059299940 0.000012432870 0.000031938842 -0.000010392793 0.000004535203 -0.000009692979 -0.000000664063 -0.000033914928 0.000024232523 0.000065605648 -0.000003734112 -0.000027326676 -0.000008832651 0.000030145561 0.000020358444 -0.000019080940 -0.000004184194 -0.000020362935 0.000018970160 0.000017482691 0.000003478199 -0.000009907262 -0.000000414132 0.000011975170 -0.000005029530</array>
               <array cmlx:templateRef="hess" dataType="xsd:double" dictRef="cc:hessianmatrix" size="8778">0.556454597 0.036409622 0.532998107 0.014508761 -0.030183913 0.569413962 -0.074275278 -0.067420331 0.035345482 0.075341319 -0.064656331 -0.243797625 0.106393907 0.065561333 0.260959820 0.034575028 0.108064591 -0.109661955 -0.038233708 -0.111364794 -0.063985345 -0.005271982 -0.061236831 0.002088500 0.002242552 -0.004664479 -0.048578269 -0.016620065 0.008744350 0.005668988 -0.059748188 -0.018275451 -0.294342297 -0.004328211 -0.003741314 -0.300351150 -0.026468386 -0.019802801 -0.006566659 0.001287496 -0.028048796 -0.051520008 -0.001516387 -0.025444503 0.001423437 -0.020651999 -0.001217595 -0.051375768 0.014876173 -0.001342658 -0.113799659 0.048713596 0.024248940 0.005552521 -0.006424159 0.050765044 -0.167451905 -0.041388984 0.014939717 -0.021449036 0.024199288 -0.039631281 -0.102685088 -0.008820488 0.010516639 0.004165313 0.014871960 -0.008494668 -0.000911471 0.002540125 -0.007040588 -0.022000585 0.012690137 0.003739435 -0.002906239 -0.004037442 -0.014528500 0.007333284 0.002049646 -0.002236009 -0.012861761 -0.001065319 -0.001199697 0.000285628 -0.000184751 0.027785914 0.002934858 0.002110128 0.000076632 0.000980242 0.014044928 0.001124104 0.000577533 -0.000824747 0.000298866 0.004149295 0.001933997 0.016876471 0.000424225 -0.000560961 -0.007948432 -0.003271745 -0.029447948 -0.000137803 -0.000497939 0.000077367 -0.008355543 -0.018422735 -0.000643998 0.001122313 0.001147064 0.000328147 0.000767738 -0.000065745 0.000026856 -0.001109944 0.000232667 0.000407872 -0.000055020 -0.000067184 -0.001124056 0.000970263 0.001706510 0.000071027 -0.000091183 -0.000228897 -0.000005251 -0.001434421 -0.000014411 0.000037025 -0.000471727 0.001233374 -0.001072712 -0.000034600 0.000233771 -0.002977273 0.000681841 -0.006020347 -0.000003226 0.000184745 -0.002497277 -0.000468413 -0.000226416 0.000992792 0.001803376 -0.000471225 0.000497894 -0.000220030 0.001321004 0.001399593 0.000792964 -0.000109756 0.000107387 -0.000638401 -0.001691647 -0.000048828 0.000047722 -0.000038379 -0.000157103 -0.000030451 0.000022038 -0.000009948 -0.000028148 -0.000008803 0.000014693 -0.000028726 -0.000036829 0.000013873 0.000121507 0.000098813 0.000001704 0.000010539 0.000006307 0.000006229 0.000012895 -0.000015109 0.000007893 -0.000003982 0.000001199 0.000002657 0.000001240 -0.000003291 -0.000002298 0.000007433 -0.000009234 0.000033872 -0.000011577 0.000010805 0.000015891 0.000002117 0.000027612 -0.000028032 0.000027098 0.000026478 -0.000001075 -0.000026384 0.000001922 0.000004826 0.000016112 0.000018660 0.000032977 0.000001496 0.000009568 0.000017016 -0.000015191 -0.000004864 -0.000002399 0.000002522 -0.000015065 -0.000011119 -0.000013679 -0.000001582 -0.000007812 0.000023640 0.000011144 0.000011983 -0.000008452 0.000006714 0.000026832 0.000008325 0.000001517 -0.000000331 0.000005698 -0.000004627 -0.000000969 -0.000016744 0.000007548 -0.000004374 -0.000037121 -0.000007974 -0.000004800 0.000003421 -0.000000314 -0.000015437 -0.000005376 0.000006899 -0.000001271 0.000000835 0.000005902 0.000000992 0.000001523 0.000001450 0.000004296 -0.000010512 -0.000003659 -0.000013635 -0.000002545 -0.000022973 0.000002840 0.000006539 0.000006246 0.000001998 0.000004032 0.000009105 0.000003298 0.000005358 -0.000001473 0.000012948 -0.000037204 -0.000025204 0.000010981 -0.000003923 0.000010219 0.000012249 0.000007903 -0.000009763 -0.000002609 -0.000010036 0.000023070 0.000016305 0.000011747 -0.000006129 0.000005712 0.000018823 0.000008910 -0.000011839 0.000006046 -0.000004369 -0.000002137 0.000002569 -0.000000406 -0.000002918 -0.000003127 0.000005022 -0.000000056 0.000000849 -0.000003575 -0.000002118 0.000006748 0.000000729 0.000001787 0.000001142 0.000003460 0.000007950 0.000004437 -0.000000103 -0.000004993 0.000000825 0.000003964 0.000000335 0.000008237 -0.000004168 0.000003655 0.000017185 0.000007275 -0.000002086 0.000001574 -0.000002701 -0.000004500 -0.000001436 0.000000927 0.000004604 0.000003469 -0.000017873 -0.000008434 0.000000854 0.000002175 0.000003915 -0.000014345 -0.000006323 0.000002738 -0.000002520 0.000005005 0.000001532 0.000000449 0.000002256 -0.000000755 0.000001712 0.000000853 -0.000000110 -0.000006639 0.000003420 -0.000005400 -0.000011937 -0.000005600 0.000003228 -0.000001037 -0.000003989 0.000010425 0.000005219 -0.000000843 0.000001666 -0.000000584 -0.000003702 -0.000000669 -0.000003456 0.000002674 0.000001191 -0.000009830 -0.000003640 -0.000000263 -0.000000539 0.000003424 -0.000003884 -0.000001784 -0.000001403 -0.000001098 -0.000000975 0.000001873 0.000001453 0.000003664 -0.000001824 0.000002228 0.000005531 0.000001975 0.000000701 0.000000312 0.000000832 0.000000092 -0.000000836 0.000002422 0.000000575 0.000001953 -0.000002356 -0.000001621 0.000001208 -0.000002118 -0.000000607 0.000009122 0.000004001 -0.000000986 0.000000425 0.000000826 -0.000002981 -0.000001154 -0.000001271 0.000000948 -0.000000558 -0.000004047 -0.000001925 -0.000006413 0.000005154 -0.000002990 -0.000014887 -0.000006029 0.000664245 0.000163079 0.000206603 -0.000090944 -0.000162616 -0.000167760 -0.000348787 0.000331774 -0.000587442 -0.000476375 0.000691269 0.000580762 0.000447917 0.000202206 0.000370544 0.000474099 -0.000031753 0.000084478 -0.000305618 -0.000492737 0.000601483 -0.000227312 0.000128474 -0.001345792 -0.001382884 -0.000003409 0.000021298 0.000019817 -0.000468356 -0.000412963 -0.000028064 0.000001448 -0.000009250 0.000028749 0.000052420 -0.000074383 -0.000007828 -0.000021055 0.000144089 0.000094279 -0.000030407 0.000070349 -0.000003055 0.000056213 0.000100149 0.001728456 -0.000352910 0.000170917 -0.001405732 -0.001241937 0.001421682 -0.000323691 -0.001725823 -0.000623555 0.001108276 -0.000828669 0.000098826 0.002046703 0.000787204 0.001086476 -0.000061800 -0.000198367 0.000141261 -0.000198535 -0.000099822 -0.000323502 0.000055132 0.000003364 -0.000020026 -0.000103533 0.000078216 0.000097339 -0.000449536 0.000065046 0.000046958 -0.000125672 0.000047157 -0.000129640 0.000146803 -0.000032212 0.000021434 -0.000068877 -0.000018396 0.000021752 -0.000052154 -0.000061521 -0.000002805 -0.000035035 0.000112060 0.000031671 0.000085069 -0.000007013 -0.000224521 0.000016746 0.000176039 0.000003856 -0.000091569 0.000122457 0.000096068 -0.000096882 0.000095040 0.000029974 0.000156961 -0.000065611 0.000039216 -0.000358107 -0.000201138 0.000222727 -0.000339532 -0.000253509 0.000121426 -0.000189128 -0.000190162 -0.000316796 0.000221582 0.000139616 -0.000215315 0.000490333 -0.000628808 -0.000278350 -0.000012438 -0.000021544 0.000087322 -0.000016583 0.000011847 0.000051250 -0.000025713 0.000067744 -0.000106808 -0.000017530 -0.000079729 -0.000053668 0.000097949 -0.000119145 -0.000190870 0.000002131 -0.000006960 0.000032438 -0.000008186 -0.000045259 -0.000013130 -0.000002334 0.000020672 0.000054420 -0.000025002 0.000013161 0.000002197 -0.000053267 0.000005308 0.000012405 -0.000012444 -0.000001580 0.000056872 0.000082475 0.000014436 -0.000006892 0.000001552 0.000015242 0.000007952 -0.000010787 0.000020970 0.000015029 -0.000050647 0.000039360 0.000060988 -0.000001958 -0.000030075 -0.000025402 0.000149210 0.000198192 0.000036138 0.000030781 0.000129110 -0.000164911 -0.000185876 -0.000162810 -0.000017773 0.000050993 0.000150043 -0.000016558 0.000012598 -0.000009867 0.000069882 -0.000056048 0.000123910 0.000059867 0.000047815 -0.000033248 0.000226386 0.000000433 -0.000050174 0.000011580 -0.000051371 0.000016925 -0.000051483 -0.000004247 0.000028878 -0.000058492 0.000135978 0.000096373 0.000005052 -0.000011472 -0.000055927 0.000069910 -0.000067583 -0.000004246 0.000005422 -0.000040022 -0.000005449 0.000016685 0.001136150 -0.000131746 0.000212301 -0.003436350 -0.002545094 -0.000815455 -0.000582565 0.000126024 0.001028870 0.001781091 -0.000896737 0.000363371 -0.000186638 0.002860543 0.002302564 -0.001330918 -0.000721769 -0.000152680 0.002221778 0.002269804 -0.001656759 0.000575689 -0.000055063 0.000371562 -0.002754773 0.001169236 0.000522731 0.000765758 -0.001184656 -0.000822000 -0.000101535 -0.000125566 -0.000021812 0.000309354 0.000263375 0.000150478 -0.000071786 0.000002073 -0.000166890 0.000006138 0.000318174 -0.000031432 0.000135611 -0.000762698 -0.000428145 0.114014791 0.009248574 0.063396149 0.024793968 0.002769790 0.049783250 -0.011682881 0.065147443 0.023075635 0.315789759 -0.001824322 -0.004964743 -0.000700836 0.000277075 0.325219129 -0.005830805 -0.001595709 -0.001535080 0.000425269 0.025108937 0.002257978 -0.030571331 -0.003172770 0.000139400 0.020916468 -0.005183634 0.003768317 -0.008004065 -0.003847573 -0.015520658 -0.013160667 0.000241747 -0.002067927 0.001562412 -0.002338004 0.008285568 0.016864757 -0.027732373 -0.011037597 -0.000992041 0.001636293 0.000380278 -0.000919085 -0.000176712 0.000753385 -0.003243882 -0.000458198 0.000836685 -0.000494004 0.000513566 -0.001050889 -0.000573102 0.000378029 0.000809613 -0.000265146 -0.000107948 0.000412746 -0.000075139 0.000430153 0.000046803 0.000603220 -0.000704693 0.000965205 0.000071119 0.003417574 0.000477196 0.000092710 0.000671894 0.000171670 0.001082277 -0.000908388 -0.001525040 0.003612965 0.002192880 0.000363358 -0.001220185 0.002703457 -0.005713623 -0.002957845 -0.000559512 0.000909056 0.000372979 -0.000184862 0.000704009 -0.001486658 0.000059940 0.000316405 -0.000002182 0.000018785 0.000472298 0.000075598 0.000186426 0.000054932 0.000144564 0.000294163 -0.000059690 0.000279161 0.000322446 0.000240732 0.001042491 0.000020841 0.000442216 -0.000340855 -0.000317846 0.000340073 0.000418934 0.000252567 -0.000233636 -0.000023144 0.000120789 0.000032613 0.000776758 -0.001667631 -0.001032242 0.000037758 0.001529146 0.000401799 -0.000019828 -0.001465261 -0.000182550 -0.000482063 0.000219983 -0.000405060 -0.000727526 0.000332032 -0.000544105 -0.000311678 0.000185133 0.000941740 -0.000395861 0.000192050 0.000017495 -0.000007653 -0.000121170 0.000094065 0.000072585 0.000000651 0.000018530 -0.000032434 0.000010211 -0.000071928 0.000017705 -0.000016039 0.000001576 -0.000034096 -0.000036361 0.000000487 -0.000012431 0.000007098 0.000016459 0.000031301 0.000008192 -0.000002230 -0.000037080 0.000003370 0.000005165 0.000000244 0.000006838 0.000002236 -0.000010012 -0.000058283 -0.000003633 0.000003197 0.000034574 -0.000020753 -0.000078246 -0.000011143 0.000002597 0.000065494 -0.000024351 0.000024194 0.000004462 -0.000004800 -0.000025993 0.000007300 -0.000057214 -0.000011003 0.000003529 0.000037840 -0.000021215 -0.000008011 0.000000642 -0.000006864 0.000000274 0.000010540 0.000007703 0.000004287 -0.000001203 -0.000009826 -0.000008853 -0.000039549 -0.000000084 0.000003505 0.000031292 -0.000020203 0.000006168 -0.000001221 0.000002521 0.000001515 0.000002835 0.000054149 0.000001824 -0.000001982 -0.000036360 0.000027561 0.000013263 -0.000000719 -0.000001162 -0.000008723 0.000014060 -0.000003286 -0.000002026 0.000003462 0.000005393 -0.000009406 -0.000007597 -0.000001471 -0.000002188 0.000005042 0.000010451 0.000014093 0.000001877 -0.000004071 -0.000014257 -0.000009817 -0.000009692 0.000000395 0.000000021 0.000001762 -0.000002499 0.000010438 -0.000003404 0.000002909 0.000006139 0.000013769 -0.000014910 -0.000002517 0.000005954 0.000017091 -0.000008716 -0.000019136 0.000004396 -0.000006544 0.000001846 -0.000007223 -0.000018670 -0.000001992 0.000003640 0.000015178 -0.000016094 0.000003952 0.000004210 -0.000007581 -0.000015788 0.000014597 -0.000001107 0.000000397 0.000000769 0.000001696 -0.000007210 -0.000007709 -0.000000123 0.000000828 0.000007088 -0.000006538 -0.000006239 -0.000000133 -0.000000537 -0.000000743 -0.000000924 -0.000007829 0.000000308 0.000000295 0.000005370 -0.000003362 -0.000016100 0.000000015 0.000003240 0.000013256 -0.000014664 0.000005664 -0.000000219 -0.000001206 -0.000005185 0.000002556 0.000014423 -0.000002739 0.000001537 -0.000003805 0.000009796 0.000009894 -0.000001881 0.000001494 -0.000001708 0.000007858 -0.000007645 0.000000170 0.000002180 0.000011063 -0.000000688 -0.000001376 -0.000000243 0.000001313 0.000003098 -0.000001716 0.000013909 0.000000613 -0.000002894 -0.000012405 0.000008421 -0.000002766 -0.000000898 0.000000457 -0.000001591 -0.000010055 0.000004730 -0.000000149 -0.000000462 -0.000003887 0.000003073 0.000007465 0.000000144 -0.000000948 -0.000004404 0.000009237 -0.000002222 0.000000358 0.000000471 0.000004999 0.000004379 -0.000003444 0.000001139 -0.000001085 0.000000901 -0.000000412 -0.000006220 -0.000000008 0.000001325 0.000005376 -0.000005395 0.000000620 -0.000000364 0.000000594 0.000000343 -0.000000320 0.000001064 -0.000001025 0.000001604 0.000002963 -0.000000573 -0.000008982 0.000001146 -0.000000070 0.000004888 -0.000006002 0.000000885 0.000000399 -0.000000563 -0.000000680 0.000002962 0.000005004 -0.000000615 -0.000000395 -0.000004112 0.000002987 0.000015920 -0.000000957 -0.000002959 -0.000014034 0.000013744 -0.000579007 -0.000079560 -0.000031127 0.000520539 0.000198982 0.000469120 -0.000093949 0.000333364 0.000255950 -0.000172729 -0.000206123 -0.000020441 -0.000109051 -0.000144738 0.000490734 -0.000232599 -0.000101579 0.000107450 0.000341082 -0.000005403 0.000211886 -0.000185602 0.000233531 0.000564731 0.000007179 0.000316566 -0.000022788 0.000002902 -0.000032793 0.000154882 0.000001023 0.000002863 -0.000014843 -0.000001733 0.000005171 -0.000001091 0.000005468 -0.000004716 -0.000024544 -0.000043887 -0.000106911 0.000013652 -0.000047501 -0.000007815 0.000019677 -0.000206194 -0.000087378 0.000069631 0.000964622 0.000236302 0.000662370 -0.000153427 0.001306797 -0.000035825 -0.000191560 -0.000552560 -0.000020560 0.000485106 -0.000472163 0.000591703 -0.000158284 -0.000113050 -0.000156395 -0.000092568 0.000029471 0.000200348 -0.000212424 0.000176790 -0.000194096 0.000028221 -0.000048849 -0.000087833 -0.000095359 0.000303765 0.000008425 0.000161822 0.000058427 0.000052150 -0.000090044 -0.000104448 0.000041002 0.000046284 0.000002182 -0.000042200 -0.000065218 0.000014623 0.000019097 0.000012189 -0.000011869 -0.000050025 -0.000069387 -0.000219744 -0.000012641 0.000283455 0.000152754 0.000066886 0.000152704 -0.000010428 -0.000174806 -0.000123065 -0.000044065 0.000028355 -0.000040521 -0.000041404 0.000060669 -0.000485096 -0.000230526 -0.000220088 -0.000075854 -0.000038094 -0.000458671 -0.000303373 -0.000325119 0.000395553 0.000179574 -0.000346172 0.000016494 0.000089677 -0.000198304 0.000041749 0.000030890 -0.000056338 0.000048132 -0.000061643 0.000039868 -0.000078374 0.000036878 -0.000095824 -0.000003705 0.000026572 0.000301010 0.000149431 0.000114833 -0.000288147 -0.000068622 0.000022123 0.000046039 0.000000945 -0.000050523 -0.000036032 0.000019539 0.000043104 0.000011432 -0.000044601 -0.000062302 -0.000048985 -0.000054261 -0.000002405 0.000079952 0.000023850 0.000065618 0.000036673 0.000049414 -0.000087680 -0.000046277 0.000025494 -0.000000936 0.000016501 -0.000024086 0.000004085 -0.000142227 -0.000041891 -0.000059928 0.000135740 0.000027244 -0.000035519 0.000018177 0.000004963 -0.000021629 -0.000001391 0.000068937 -0.000034632 0.000018071 0.000011591 0.000057959 0.000035040 -0.000026941 -0.000016034 0.000025681 0.000017230 0.000010967 0.000009219 0.000001245 -0.000037709 0.000072534 -0.000015789 0.000037751 -0.000015090 -0.000063533 -0.000038465 0.000084710 0.000035162 0.000003498 -0.000075160 -0.000050202 -0.000055465 0.000001273 -0.000013203 0.000020757 -0.000034782 0.000024589 0.000011363 0.000002637 -0.000005215 -0.000049504 -0.000052345 -0.000029126 -0.000020359 0.000062259 0.000022541 0.001839950 -0.000056036 0.000302700 -0.000232673 0.000319318 -0.000228870 0.000058125 -0.000134770 -0.000118662 -0.000039939 -0.001325703 0.000275054 -0.000252379 -0.000488668 -0.000464951 -0.001164968 0.000034872 -0.000604455 0.000413242 -0.000408758 0.000203833 -0.000011525 -0.000373741 0.000466331 -0.000484762 -0.000969089 -0.000314294 -0.000162387 0.000505743 0.000455336 0.000036968 -0.000000040 0.000030801 0.000049651 -0.000044891 0.000131727 0.000021294 0.000067849 -0.000031592 -0.000026040 0.000101768 -0.000029156 0.000061124 -0.000010033 0.000133833 0.051253089 0.004996335 0.048049245 0.028573919 0.014103386 0.590794494 0.003183610 0.002208434 0.029676236 0.555717682 0.002177076 0.000483694 -0.004968072 -0.029125327 0.494938747 -0.000352293 -0.000714395 -0.066907557 -0.053886893 0.030281342 0.000989667 0.000168099 -0.052618018 -0.221838939 0.101969344 0.000829396 0.000192222 0.028339139 0.100234645 -0.108322159 0.002371115 0.001408994 -0.311103584 -0.030196688 -0.021154876 -0.004072379 -0.002640129 -0.031045028 -0.054945847 -0.001301088 -0.002649105 -0.000469409 -0.017433301 0.000232360 -0.048154014 0.000365455 0.001855140 -0.093804187 -0.005905308 -0.030254631 0.001442588 0.000752539 -0.004211747 -0.086132707 -0.025986059 0.001163673 0.001124104 -0.031720209 -0.029962671 -0.187002743 -0.000768797 -0.000600814 -0.008537303 -0.000087564 -0.000797969 -0.000030672 -0.000125396 -0.005899093 0.000263002 -0.002378601 -0.000229414 -0.000108030 -0.033510756 -0.005169870 -0.005060089 -0.000119210 -0.000165646 0.004739044 -0.007677531 -0.004714920 -0.000054191 -0.000018833 0.003074768 -0.002472685 -0.001884805 0.000342938 0.000126055 0.017166353 -0.026096232 -0.011847322 0.000222544 0.000482574 0.003870272 0.005712890 -0.001221002 -0.000667241 -0.000043085 0.000101385 0.000162053 -0.000234731 0.000243431 0.000068658 0.001920310 0.000465656 -0.001077888 0.000028112 -0.000012610 0.000093535 -0.000020815 -0.000111131 -0.000015998 -0.000002994 -0.000055498 -0.000234994 0.000004529 -0.000021074 0.000003716 -0.000106463 -0.000229214 0.000185480 -0.000002701 -0.000005810 -0.000034956 -0.000023651 0.000032969 -0.000003824 -0.000000884 0.000010883 0.000008127 -0.000015753 -0.000000981 0.000001964 0.000023135 0.000012047 -0.000009807 -0.000006176 -0.000001902 -0.000065711 -0.000136332 0.000076222 -0.000000152 0.000002219 -0.000054604 -0.000053424 0.000060925 -0.000006145 0.000002436 0.000027338 0.000072588 -0.000023956 -0.000005040 0.000002274 -0.000012456 0.000022208 0.000008961 0.000007273 -0.000002116 0.000003048 -0.000011569 -0.000002557 -0.000004552 0.000002790 0.000015903 -0.000017859 0.000009237 -0.000004619 -0.000001359 -0.000012109 -0.000006463 0.000020351 0.000000355 -0.000000761 -0.000003785 0.000012002 -0.000006014 0.000007363 -0.000000529 0.000012688 0.000013196 -0.000025686 0.000004138 -0.000000497 -0.000000239 0.000011502 -0.000009135 -0.000002086 0.000001698 -0.000007377 0.000005564 -0.000000036 0.000003585 -0.000001889 -0.000009335 -0.000002398 0.000006178 0.000003543 0.000007144 0.000019556 -0.000011728 0.000004185 -0.000005139 -0.000001419 -0.000012286 -0.000004568 0.000006782 0.000011136 -0.000003756 -0.000004709 0.000014576 -0.000012014 -0.000003711 -0.000000722 -0.000014635 0.000025426 -0.000001433 -0.000003402 0.000000990 0.000005718 -0.000032673 0.000022373 -0.000004615 0.000001009 -0.000016463 -0.000001456 0.000014922 -0.000001223 -0.000002216 0.000004649 -0.000018324 0.000001967 -0.000000214 0.000001221 0.000008645 -0.000003149 0.000003196 0.000000129 0.000000475 0.000009049 -0.000006078 0.000003588 -0.000003218 -0.000000455 -0.000004614 0.000001315 0.000000695 0.000001768 -0.000000394 0.000004061 0.000001130 0.000005041 -0.000004271 -0.000000313 -0.000009144 0.000000741 0.000007676 0.000001215 0.000000895 0.000000545 -0.000002845 -0.000001546 0.000002632 0.000000133 -0.000000406 0.000015424 -0.000013996 0.000002928 -0.000000481 -0.000001040 0.000015269 -0.000010816 0.000000048 -0.000002169 -0.000000879 0.000007706 -0.000000438 -0.000000499 -0.000000387 -0.000001529 0.000002594 -0.000000468 0.000003012 0.000000740 0.000007341 -0.000006245 -0.000004522 -0.000002523 0.000003076 -0.000007820 -0.000006797 0.000006946 0.000000348 0.000000132 -0.000000579 0.000000582 -0.000002459 0.000001875 -0.000001103 0.000002987 0.000004637 -0.000005936 0.000001222 -0.000002077 0.000001853 0.000005360 -0.000002059 0.000000643 -0.000000582 0.000000188 -0.000004009 0.000003320 -0.000001333 -0.000000470 -0.000002253 0.000000767 0.000002550 -0.000000713 0.000000023 0.000001476 0.000001265 -0.000001542 -0.000000124 -0.000000007 -0.000001099 0.000005915 -0.000003342 -0.000001555 -0.000000349 -0.000001200 -0.000006104 0.000006689 0.000000840 -0.000000899 0.000001415 0.000000607 -0.000001428 0.000000843 0.000000631 0.000000777 0.000001267 -0.000002563 0.000002765 0.000001094 0.000003394 -0.000001256 -0.000006925 -0.000119072 -0.000183161 -0.000954257 -0.001287104 -0.000166278 0.000350564 0.000132859 -0.000098830 0.001715618 -0.000852514 -0.000462134 -0.000250539 -0.001616613 0.000450705 -0.001969033 0.000032818 -0.000065555 -0.000606620 -0.001199768 0.000326383 0.000425001 -0.000062352 -0.000367156 -0.001091046 0.000473351 0.000133568 -0.000021821 -0.000057032 -0.000421217 -0.000053747 -0.000003827 0.000001433 -0.000001115 0.000043876 0.000002164 -0.000018893 0.000024618 0.000098184 0.000299733 -0.000116968 -0.000021984 -0.000004837 -0.000007783 0.000167732 -0.000096595 0.000107987 -0.000656038 0.003597105 0.001388284 0.000986545 -0.000032166 -0.000095812 -0.000831626 -0.004211813 0.013863897 0.000099245 -0.000089055 0.012220880 0.039932977 -0.026155030 0.000041721 -0.000074401 0.000108823 0.000053462 -0.000033181 -0.000225525 -0.000057601 0.000269940 0.000187633 0.000269417 -0.000000889 0.000158901 0.000258186 -0.000112567 0.000018522 -0.000127542 -0.000012229 0.000022618 0.000063600 0.000041938 0.000002390 -0.000014549 0.000109451 -0.000016051 -0.000071692 -0.000033463 -0.000002307 0.000082216 0.000015937 0.000040062 0.000082182 0.000128159 -0.000395669 -0.000222783 0.000047868 -0.000081706 -0.000103516 -0.000626368 -0.000054044 -0.000149085 -0.000004221 -0.000057687 -0.000535150 -0.000035132 -0.000014059 0.000026982 -0.000055435 0.000181022 0.000048601 -0.000022354 0.000286918 0.000186343 0.000203784 -0.000202037 0.000000276 0.000120453 -0.000111957 0.000018878 0.000043821 -0.000145461 0.000004353 -0.000036108 -0.000206763 -0.000022417 0.000001380 0.000075696 -0.000026582 -0.000058317 -0.000043873 -0.000066574 -0.000074722 -0.000106013 -0.000069881 0.000085181 -0.000152331 -0.000009236 -0.000023578 0.000045813 0.000008213 -0.000036084 -0.000020183 -0.000018644 0.000097631 0.000008841 -0.000016557 0.000017189 0.000035392 0.000037014 -0.000031757 0.000065979 -0.000057252 -0.000036903 -0.000066913 0.000033619 -0.000002806 -0.000011013 -0.000008840 -0.000034213 0.000008665 0.000006061 0.000029814 0.000040731 -0.000006092 -0.000047471 0.000032866 -0.000026382 -0.000002273 -0.000018639 -0.000013802 0.000089385 0.000027648 -0.000042454 -0.000148491 0.000104255 -0.000219236 -0.000035851 -0.000007146 -0.000235969 -0.000037585 0.000015944 -0.000003743 -0.000036528 -0.000406021 -0.000004953 -0.000054555 -0.000072497 0.000004536 -0.000126017 -0.000093556 0.000043091 -0.000007765 0.000003164 0.000302387 -0.000029581 0.000017039 -0.000027727 0.000020202 0.000065496 0.000014216 0.000026106 -0.000008726 0.000016760 0.000190807 -0.000011896 0.000011443 0.000016138 0.000022183 -0.000005438 -0.000010222 0.000026734 0.000773846 -0.000298472 0.000728335 -0.000788052 -0.000479999 -0.000301850 0.000088255 -0.000507059 0.000379607 0.000169534 -0.000801140 0.000225610 0.000271745 0.001249487 0.000056184 -0.000951041 0.000392454 -0.000932806 0.000803146 0.000724284 -0.000825788 0.000446793 -0.000036231 0.000397873 0.000172322 0.000888209 -0.000251138 0.000275118 -0.000739104 -0.000313746 -0.000065924 0.000017186 -0.000181720 -0.000010219 0.000104233 0.000034888 -0.000032236 0.000030558 -0.000053426 0.000035464 0.000196879 -0.000076962 0.000001723 -0.000144170 -0.000031095 0.064479620 0.055322696 0.243648077 -0.033577700 -0.109383432 0.117326077 -0.003889424 -0.000268838 -0.000685787 0.334001791 -0.025668293 -0.002458888 -0.003548427 0.031037149 0.057345197 0.015778366 0.001131471 0.001261729 0.022469441 0.005646825 0.000624105 0.000552187 0.011102531 -0.008785657 -0.005054965 0.006883175 0.001840046 0.028933008 -0.002044151 -0.001119716 -0.004068815 -0.003745839 -0.009935631 -0.000643334 0.000030928 0.000209961 0.000367930 -0.000823227 0.000930255 0.000215739 0.000300268 0.000205609 -0.000038295 -0.000162622 0.000890840 0.000611241 0.000448840 0.001022029 -0.001442892 -0.001242012 0.000149522 0.000152687 0.000795159 0.000496454 -0.000622882 -0.000039553 0.000606220 -0.000556964 0.000056408 -0.000174567 0.000486087 0.000601083 0.000636346 -0.000044757 -0.000070068 -0.000982208 0.000526915 -0.004083111 -0.001019614 -0.001035748 0.000948285 0.000046329 -0.000823964 0.000430713 0.000810089 -0.001129637 -0.000345677 0.001084567 -0.000446410 0.000637607 0.000080345 0.000109691 -0.000142499 -0.000021154 -0.000033464 0.000044359 0.000023114 0.000082733 -0.000021199 0.000033815 -0.000008335 -0.000044782 0.000110079 -0.000055548 0.000000105 0.000009559 -0.000007603 0.000012152 0.000014484 0.000000495 0.000004068 0.000010622 -0.000032558 -0.000008816 -0.000004217 -0.000006690 -0.000003187 0.000001802 -0.000000009 0.000016093 -0.000010589 -0.000026839 0.000098111 -0.000004507 0.000012434 -0.000019794 -0.000024382 0.000077465 0.000008389 0.000002584 0.000006488 0.000012398 -0.000061894 0.000002383 -0.000003309 -0.000017978 -0.000023601 0.000037083 0.000019108 0.000010904 -0.000000197 0.000004904 -0.000000373 0.000009675 -0.000002706 -0.000002372 -0.000003063 0.000002064 -0.000011954 0.000000903 -0.000017699 -0.000029078 0.000039556 -0.000000143 0.000012455 0.000001944 0.000003903 -0.000005253 0.000001274 -0.000002881 0.000022980 0.000036902 -0.000051343 -0.000002818 -0.000016246 0.000007020 0.000011552 -0.000016546 0.000003901 -0.000005205 -0.000001022 -0.000000879 0.000002806 -0.000003651 0.000000208 0.000002958 0.000000484 0.000002182 0.000007864 -0.000002788 -0.000003667 0.000004582 -0.000013141 -0.000018637 -0.000010368 -0.000000860 -0.000008120 0.000007933 0.000008518 0.000009545 0.000008568 0.000017187 -0.000007295 0.000006824 -0.000014556 -0.000006017 -0.000009679 0.000008001 -0.000000471 0.000005080 -0.000006643 -0.000015482 0.000016924 -0.000002332 0.000005656 -0.000010148 -0.000017090 0.000023350 -0.000003080 0.000007747 0.000007887 0.000003929 -0.000007427 0.000011765 0.000003259 -0.000005405 -0.000003475 0.000005748 -0.000008008 -0.000000088 -0.000008193 -0.000009096 0.000012793 -0.000006505 0.000001451 0.000001282 -0.000002632 0.000002145 0.000002447 0.000003479 -0.000006191 -0.000008675 0.000011865 -0.000004176 0.000001050 -0.000007375 -0.000014840 0.000018848 -0.000002003 0.000006459 0.000003638 0.000005604 -0.000006424 -0.000001109 -0.000003516 0.000009346 0.000018420 -0.000021380 0.000003984 -0.000007944 0.000006258 0.000011722 -0.000014379 0.000003048 -0.000006251 -0.000004224 -0.000006205 0.000007525 0.000002825 0.000002991 -0.000001474 -0.000001872 0.000002359 0.000000430 0.000001324 0.000005966 0.000011043 -0.000013275 -0.000000086 -0.000005417 -0.000001642 -0.000003847 0.000004562 -0.000006374 0.000000852 0.000003015 0.000004158 -0.000006264 0.000001216 -0.000001486 0.000004683 0.000007557 -0.000010372 0.000004356 -0.000002768 -0.000001081 -0.000001141 0.000001242 0.000003945 0.000000941 -0.000001515 -0.000004204 0.000004681 -0.000000615 0.000000796 -0.000002962 -0.000005861 0.000007730 -0.000000745 0.000002493 -0.000000068 0.000001065 -0.000000624 0.000000530 0.000000487 0.000001302 0.000003378 -0.000003204 0.000000649 -0.000001483 -0.000004708 -0.000009166 0.000010972 -0.000001444 0.000004063 0.000000856 0.000000789 -0.000001065 0.000001582 -0.000000313 0.000002108 0.000004396 -0.000005079 -0.000000121 -0.000002068 0.000008243 0.000015622 -0.000018988 0.000002796 -0.000005727 0.000141832 -0.000151130 0.000956328 -0.000340296 0.000528851 -0.000191068 0.000224603 -0.000449521 -0.000096035 -0.001068843 0.001195095 0.000132771 -0.000200003 0.002044385 0.000349165 0.000060711 -0.000020764 0.000862516 0.000138752 0.000133352 -0.000324825 0.000044212 0.001057187 -0.000016645 -0.000325994 0.000017260 0.000172335 0.000029714 0.000037354 -0.000135556 0.000011047 -0.000010241 -0.000025525 0.000013438 -0.000003418 -0.000023079 -0.000025059 -0.000132029 -0.000011457 -0.000015878 0.000026279 -0.000025810 -0.000093567 0.000046652 0.000005531 0.001374550 -0.000352223 0.000165346 0.001576197 0.001457789 0.000316502 0.001224270 0.000431873 0.000668272 0.000259275 -0.001815995 -0.000192160 -0.009969964 -0.000290910 -0.000378855 -0.000042962 0.000025511 0.000015685 -0.000210366 0.000023933 0.000010722 -0.000054881 -0.000021218 -0.000399016 -0.000346349 -0.000097246 -0.000043309 -0.000000789 -0.000150907 0.000106569 -0.000025862 -0.000069998 -0.000010854 -0.000039473 0.000091887 -0.000071266 -0.000042159 -0.000005980 -0.000013126 0.000169044 -0.000044096 -0.000056021 0.000023790 -0.000030118 0.000045462 0.000072355 0.000063491 0.000007047 0.000142142 -0.000350064 -0.000006914 -0.000029155 0.000003260 0.000002982 -0.000119928 0.000134986 0.000078942 0.000011618 -0.000059998 -0.000455282 -0.000025128 0.000062251 0.000032511 0.000014329 0.000037079 0.000032417 0.000124240 0.000036791 0.000090856 -0.000051487 0.000022246 0.000083184 -0.000002755 0.000036190 -0.000024304 0.000065159 0.000024057 0.000020032 0.000097626 -0.000122509 0.000012929 0.000050627 0.000011826 0.000048767 0.000050333 0.000051839 0.000024109 -0.000051449 -0.000043646 0.000015424 -0.000018205 -0.000002381 -0.000001115 -0.000032366 0.000054101 -0.000033493 -0.000026352 0.000009772 -0.000053883 0.000058430 -0.000031620 -0.000010045 0.000015896 0.000016118 0.000002360 -0.000015578 -0.000058117 0.000018065 -0.000009549 0.000046200 0.000006621 0.000003856 -0.000005844 0.000005206 -0.000008295 -0.000008368 -0.000004165 0.000037243 0.000013322 -0.000004008 -0.000018876 -0.000048139 -0.000009849 -0.000082296 0.000031179 0.000151179 0.000112942 0.000030750 -0.000010816 -0.000272234 0.000058150 -0.000020986 0.000082425 0.000040286 -0.000143952 0.000139433 0.000048970 -0.000006791 0.000058557 -0.000292048 -0.000044792 -0.000066444 -0.000016162 -0.000185568 0.000192535 -0.000048764 -0.000016795 -0.000044398 -0.000003794 0.000222984 -0.000035634 -0.000050120 -0.000003588 -0.000034698 0.000049861 -0.000093460 -0.000038258 -0.000009124 -0.000053131 0.000141326 -0.000003989 0.000006091 0.000001347 0.000013757 -0.000021348 -0.000225371 0.000645974 0.000331409 0.000010217 -0.000000349 0.000300608 -0.000172360 -0.000450847 0.000249181 -0.000121053 0.000111158 -0.000497296 -0.000938511 -0.000314844 0.000435044 0.000407331 -0.000873377 -0.000664344 0.000158230 -0.000051364 -0.000007667 -0.000304162 0.000042186 -0.000098203 0.000237779 -0.000186918 0.000431837 0.000629069 0.000087854 -0.000222088 0.000016055 -0.000050126 0.000049515 0.000017728 -0.000036394 -0.000057847 0.000000292 0.000069190 -0.000010480 0.000034202 -0.000026780 0.000135349 0.000100868 0.000032331 -0.000077498 0.053700515 -0.035211577 0.632880465 -0.006267518 -0.024961710 0.555192361 -0.004365001 -0.019828476 0.030187730 0.489969877 -0.001982741 -0.293093608 -0.030344428 -0.028847836 0.316167050 -0.001055154 -0.023346967 -0.053291692 -0.008145116 0.041684613 -0.006564866 -0.032711041 -0.008576710 -0.052839258 0.028725173 0.000029412 -0.118725728 0.108519677 0.048891723 -0.012024688 0.000098496 0.098778737 -0.201909563 -0.073417751 -0.002368880 0.000987906 0.047314457 -0.076393065 -0.087004736 -0.002837430 -0.003307806 -0.014595293 -0.043895091 0.026226033 0.002593206 0.003276813 -0.043697186 -0.007655312 0.014803256 0.000483263 -0.001965540 0.028053379 0.014001588 -0.019554052 -0.003035706 0.000187144 -0.000161829 -0.000946572 0.001201669 0.000301429 0.000098768 -0.001265408 0.000365679 0.001208219 -0.000044345 -0.000008176 0.000783774 0.000346002 0.001742340 0.000072172 0.000054710 0.000104625 0.000091804 0.000010933 0.000041150 0.000042085 -0.000006850 -0.000277767 0.000268787 0.000044847 -0.000032213 -0.000085728 0.000068802 -0.000084718 -0.000023281 -0.000022515 -0.000056462 0.000648089 0.000085102 -0.000087204 -0.000066200 0.000179383 0.000532155 -0.000286673 -0.000098128 0.000031873 0.000042796 -0.000335247 0.000010248 0.000075810 -0.000037920 0.000041459 0.000305711 -0.000719646 -0.000106940 -0.000000721 -0.000094909 0.000063412 -0.000130753 -0.000017460 -0.000010455 -0.000064540 0.000027149 0.000215505 -0.000005807 -0.000035913 0.000114232 0.000248879 -0.000222095 -0.000049548 0.000009387 0.000026777 -0.000075848 0.000039496 0.000020942 0.000048988 -0.000080387 -0.000365839 0.000402293 0.000093595 0.000014823 -0.000047817 -0.000121893 0.000067257 0.000030104 -0.000010374 0.000047007 -0.000012497 -0.000032451 -0.000017668 0.000008726 0.000006807 0.000027661 -0.000024914 0.000013914 -0.000040476 -0.000006267 -0.000054683 0.000120473 -0.000041235 0.000010132 -0.000006677 0.000073559 -0.000062967 -0.000009129 0.000010931 -0.000007418 -0.000098128 -0.000042136 0.000026871 -0.000006926 0.000071290 -0.000033004 -0.000069392 -0.000011701 -0.000020330 0.000019892 0.000208355 -0.000031405 -0.000023221 -0.000021591 0.000100173 0.000128128 -0.000115882 -0.000044676 0.000027074 -0.000107494 0.000045597 0.000062157 0.000039115 -0.000014125 0.000020522 0.000039259 -0.000023165 -0.000014659 -0.000010290 0.000045043 0.000100264 -0.000070218 -0.000024473 0.000010641 0.000009167 0.000030189 -0.000026311 0.000002373 -0.000016264 0.000046608 0.000080384 -0.000063534 -0.000018946 -0.000015531 0.000062010 0.000096822 -0.000093913 -0.000031639 0.000002821 -0.000008935 -0.000031925 0.000035987 0.000002475 0.000020266 -0.000039876 -0.000178398 0.000079992 0.000036403 0.000014145 -0.000021377 -0.000131429 0.000050491 0.000025090 -0.000002148 0.000011360 0.000018617 -0.000047099 0.000003599 -0.000001371 0.000004483 0.000000690 -0.000014181 -0.000001695 0.000009475 -0.000049979 -0.000058959 0.000075065 0.000014963 -0.000015160 0.000046520 0.000037136 -0.000009909 -0.000032943 0.000006791 -0.000018655 -0.000038049 0.000032180 0.000008709 0.000015830 -0.000044764 -0.000067548 0.000045425 0.000026159 0.000005003 -0.000012804 -0.000004374 -0.000015364 0.000014313 -0.000004076 0.000009752 0.000042381 -0.000016968 -0.000007815 -0.000005413 0.000025801 0.000041628 -0.000041074 -0.000009999 0.000001914 -0.000007223 -0.000007702 -0.000001477 0.000004262 0.000002489 0.000001393 -0.000042602 0.000004005 0.000006253 -0.000010015 0.000024499 0.000082152 -0.000046338 -0.000017543 0.000004517 -0.000011437 -0.000004336 0.000003897 0.000007896 0.000003312 -0.000010308 -0.000033139 0.000024946 0.000005615 0.000017659 -0.000060696 -0.000103141 0.000096041 0.000029193 0.001957952 -0.000366569 0.011526133 -0.009116782 -0.000429628 -0.001787144 -0.002484615 -0.011638936 0.002903071 -0.001532829 0.001826467 -0.001650273 0.001170234 -0.002273663 0.001102528 0.000192485 -0.003442912 0.005150023 -0.002744155 -0.001010935 -0.001104687 0.004609610 0.006653121 -0.005231470 -0.001025847 0.000006722 0.001232436 0.000318778 0.001566332 0.000282587 -0.000008946 0.000220626 0.000165597 -0.000050013 0.000042985 -0.000120978 -0.000461720 -0.000485897 -0.000320947 -0.000038844 0.000069170 -0.000100788 -0.000696334 -0.000495872 0.000053365 0.002968044 -0.104050383 -0.020364722 0.022314065 -0.007041029 0.000411510 -0.002033258 -0.193122872 0.076257748 -0.007034076 0.002587406 0.012036455 0.077391234 -0.115897526 0.007412254 0.000025859 -0.000089004 0.000011042 0.000015977 -0.000000990 -0.000450387 0.000139788 0.000105179 -0.000330407 0.000053719 -0.000045453 -0.000066043 0.000142763 -0.000044556 -0.000026784 0.000044923 -0.000002964 0.000003271 0.000084540 -0.000018874 0.000121146 -0.000090360 -0.000067617 0.000170648 -0.000024779 -0.000032099 0.000077806 0.000188230 -0.000110306 -0.000048650 -0.000418769 0.000150706 0.000131430 -0.000257328 0.000017413 -0.000168663 0.000040902 -0.000123790 0.000222111 -0.000016239 -0.000361703 0.000114402 -0.000009269 -0.000098771 0.000035755 0.000019082 -0.000023039 0.000064780 -0.000027015 -0.000005195 -0.000023967 -0.000030680 0.000182557 -0.000215697 -0.000005141 0.000060655 -0.000107529 -0.000258981 0.000161973 0.000037397 -0.000042487 0.000092807 0.000065885 -0.000210338 0.000012721 0.000094667 -0.000073718 -0.000030607 0.000058122 0.000012294 0.000196268 -0.000206278 -0.000444935 0.000435813 0.000048010 0.000052065 -0.000036677 -0.000043769 0.000088703 -0.000007659 0.000012755 0.000024806 0.000055777 0.000029125 -0.000041176 -0.000121390 0.000084103 0.000138669 -0.000150479 -0.000016832 -0.000000797 0.000069732 0.000118171 -0.000044709 -0.000026764 -0.000002382 -0.000007292 -0.000032890 0.000007537 0.000013310 -0.000052580 0.000094246 0.000254239 -0.000218191 -0.000032006 -0.000025379 -0.000034815 -0.000050379 0.000073501 0.000031986 0.000200201 0.000114769 -0.000022127 -0.000309972 -0.000054221 0.000040013 0.000112908 0.000442248 -0.000519109 -0.000041634 0.000321369 -0.000103759 -0.000190204 -0.000100595 0.000064601 0.000209698 -0.000116650 -0.000025815 0.000166394 0.000065364 0.000001676 -0.000191983 -0.000187627 0.000399253 0.000045100 -0.000030265 0.000052778 0.000057542 0.000063275 -0.000014355 -0.000041735 0.000015974 0.000002120 0.000178624 -0.000016582 -0.000036090 0.000015327 0.000010990 -0.000050998 0.000006412 -0.000233654 0.000108881 0.000408327 -0.001111252 -0.000268978 0.000316430 -0.000760427 -0.001951588 0.002060134 0.000493304 0.000681489 -0.001626645 -0.004080141 0.004928838 0.000748833 0.000351013 -0.000636508 -0.001689074 0.002570093 0.000501430 -0.000161738 0.000270371 0.000463960 0.000206802 -0.000151378 -0.000460634 0.000902443 0.002448766 -0.002739406 -0.000425789 -0.000057047 0.000200778 0.000410979 -0.000352927 -0.000078767 -0.000073549 0.000213127 0.000409156 -0.000343466 -0.000101282 -0.000061583 0.000122655 0.000387284 -0.000594435 -0.000046806 0.062400998 -0.002624418 0.062618299 0.022024252 0.010990958 0.120376429 0.007113967 0.002159397 -0.113258271 0.230769911 0.004464213 0.002547565 -0.051006093 0.072787616 0.095810941 0.006284683 -0.000918355 0.000196807 0.011998353 -0.002097511 -0.005735085 0.002899936 -0.002688247 -0.002355701 0.000230406 -0.000985425 0.000868715 0.000980018 -0.001421962 0.001968207 0.000267809 -0.000198237 -0.000136045 0.000166257 -0.000102142 -0.000213001 0.000117405 0.000011952 0.000117792 -0.000129784 0.000260721 -0.000182886 0.000009103 0.000076154 -0.000066245 -0.000020966 -0.000013709 -0.000071065 -0.000108471 0.000024426 0.000049853 -0.000040758 -0.000073524 0.000004575 -0.000011731 -0.000020351 0.000013715 0.000056017 0.000036921 -0.000013339 -0.000081608 0.000067057 0.000045823 -0.000060563 -0.000000109 -0.000048446 0.000067658 0.000030247 -0.000021255 0.000034549 0.000052385 -0.000059435 -0.000016910 0.000018709 -0.000017492 -0.000120959 0.000088627 -0.000007299 -0.000102150 0.000065208 -0.000020754 0.000024358 0.000026408 -0.000044307 0.000008829 0.000007559 -0.000002219 0.000021320 0.000009924 -0.000011752 -0.000026371 0.000025605 0.000024365 -0.000019085 0.000011678 0.000018994 -0.000016211 -0.000017561 0.000026166 -0.000016968 0.000070793 -0.000061146 -0.000037361 0.000066530 -0.000034352 0.000013359 -0.000012570 -0.000018807 0.000014111 -0.000005014 -0.000004616 0.000008370 0.000001193 0.000013628 -0.000002962 -0.000002763 -0.000001608 -0.000011870 -0.000015906 0.000005808 0.000005813 0.000019811 0.000059741 -0.000002093 0.000031552 -0.000024591 0.000012388 -0.000010013 -0.000018187 -0.000005262 0.000021726 -0.000015489 -0.000017567 0.000014012 -0.000006914 0.000001588 0.000005910 -0.000004449 0.000040089 -0.000028430 -0.000010509 0.000009348 0.000031530 -0.000053136 0.000025879 -0.000012361 0.000021573 0.000016553 0.000005842 -0.000006487 -0.000006634 -0.000017382 -0.000019716 -0.000041288 0.000011691 -0.000001582 0.000004303 0.000013184 0.000000760 0.000003898 -0.000007372 0.000013834 0.000017688 -0.000007761 0.000007457 -0.000003992 -0.000002486 -0.000010840 -0.000003397 -0.000005958 0.000003936 0.000006460 0.000023892 0.000003892 -0.000003142 -0.000012904 0.000013765 0.000010198 -0.000002869 0.000000970 0.000004953 -0.000001889 0.000001382 0.000000831 0.000000640 0.000013624 -0.000016470 -0.000029286 0.000028146 -0.000009523 0.000012356 -0.000011549 -0.000019540 0.000023021 -0.000008656 -0.000000906 -0.000000296 -0.000003767 0.000006288 -0.000003718 -0.000002855 0.000001411 -0.000002403 0.000001889 -0.000001410 0.000006078 -0.000006800 -0.000001987 -0.000006437 0.000005425 -0.000007083 0.000014578 0.000015635 -0.000002640 0.000001516 0.000001173 -0.000003511 -0.000007424 0.000000012 -0.000000150 0.000005624 -0.000010844 -0.000016502 0.000002721 -0.000001488 0.000002137 -0.000005450 -0.000007856 0.000002493 -0.000001859 -0.000000170 0.000003370 0.000008952 -0.000008308 0.000002883 -0.000003695 0.000003484 0.000003494 -0.000000681 -0.000000450 -0.000001289 -0.000001934 -0.000004096 0.000002139 -0.000000684 0.000002038 -0.000003033 -0.000007787 0.000011257 -0.000002922 -0.000007476 0.000008404 0.000011754 -0.000012044 0.000004921 0.000002168 -0.000003937 -0.000003414 -0.000001841 0.000000116 0.000003731 -0.000002897 -0.000002364 0.000004460 -0.000002314 0.000009366 -0.000011826 -0.000014555 0.000003452 -0.000001878 -0.000043144 0.000630858 -0.002637753 -0.001794554 0.001095607 0.003422425 0.000161381 -0.000800420 0.005571041 0.000340802 -0.001549628 0.000119466 0.001130206 -0.001362322 -0.001425866 -0.001744039 0.001181043 -0.000195286 -0.001148302 0.000366176 -0.000215964 0.000415419 0.000942935 0.000030276 0.000792720 0.000590865 -0.000254476 -0.000069912 0.000194194 -0.000252337 0.000037412 -0.000071382 0.000125378 -0.000038397 -0.000063511 0.000017682 0.000017186 0.000161506 0.000183459 -0.000074475 -0.000027569 -0.000000918 -0.000167512 -0.000375670 0.000117866 -0.038630667 0.026320251 0.007190095 0.004965560 -0.008045506 -0.015245846 0.010581746 -0.006223941 -0.038621904 0.024323939 0.010691615 -0.003692569 -0.004877621 0.004258514 0.005661036 -0.000009300 -0.000030140 0.000009381 0.000001562 -0.000003565 0.000000717 0.000120157 -0.000007491 -0.000018550 -0.000011211 -0.000014957 -0.000031913 0.000016942 -0.000002299 0.000040078 0.000000085 -0.000023738 0.000001590 -0.000011504 -0.000018556 0.000003852 -0.000065135 -0.000000260 -0.000001644 -0.000014493 -0.000016771 0.000006905 0.000025831 -0.000018254 0.000007165 0.000000910 0.000073206 -0.000003563 0.000016004 0.000057013 0.000010082 -0.000048809 -0.000012179 0.000001740 -0.000034206 0.000002914 0.000057434 -0.000021167 0.000006332 0.000001690 -0.000001856 -0.000004438 0.000003372 0.000003186 0.000022583 -0.000014256 0.000019684 0.000015505 0.000024067 0.000092218 0.000024798 -0.000021542 -0.000021674 0.000031270 -0.000020658 -0.000010486 0.000055527 -0.000007314 -0.000012493 0.000025980 0.000006851 -0.000022074 0.000012505 0.000011591 -0.000016106 0.000028260 -0.000073031 -0.000046409 0.000024589 -0.000058027 0.000001607 -0.000026511 0.000000186 0.000001129 -0.000015083 -0.000005287 -0.000020743 0.000017227 -0.000009614 -0.000008552 -0.000006502 0.000029212 0.000026811 0.000005006 0.000012763 -0.000012560 0.000011979 0.000007284 -0.000029966 -0.000018774 0.000002934 0.000003627 -0.000008221 0.000000725 -0.000004274 -0.000026542 0.000034505 0.000018513 -0.000023280 0.000033583 0.000014079 -0.000005897 -0.000030239 -0.000023650 -0.000030586 -0.000041786 0.000094982 0.000077266 0.000159400 0.000042416 -0.000034893 0.000093763 0.000056006 -0.000061763 -0.000002727 0.000007101 0.000032208 -0.000037833 -0.000016496 0.000007639 -0.000013916 -0.000044597 -0.000087919 -0.000140280 -0.000042151 -0.000006291 -0.000114910 -0.000114764 -0.000103176 -0.000004372 0.000000353 -0.000014513 0.000003031 -0.000021846 -0.000008358 0.000002122 -0.000046624 -0.000004771 -0.000010303 -0.000013248 -0.000000740 0.000010879 0.000000425 0.000007867 0.000014288 -0.000196193 0.000101941 0.000171952 0.000349656 0.000276418 0.000342290 -0.000263920 -0.000226239 0.000054002 -0.000282766 0.000624765 -0.000715907 -0.000352674 0.000168828 -0.000714123 0.000405304 -0.000273091 -0.000239259 -0.000208089 -0.000487662 -0.000029891 0.000025420 0.000086120 -0.000032768 -0.000090576 -0.000342361 0.000394613 0.000286303 -0.000019645 0.000435659 -0.000047383 0.000066049 0.000032566 -0.000031071 0.000026151 -0.000046215 0.000032833 0.000039986 -0.000025520 0.000044243 -0.000056490 0.000075598 0.000031676 -0.000010052 0.000093470 0.598602531 -0.155179212 0.744049662 0.001465937 -0.279337147 0.400826164 -0.003573463 -0.020148155 0.012972268 0.536226769 -0.024540663 -0.006369342 0.015113278 -0.016063132 0.576026457 0.012406153 -0.002512699 -0.009949324 0.021294872 -0.038508678 -0.003261151 0.005498078 -0.001967748 -0.175969831 0.100561277 -0.001616330 -0.000723274 0.000172943 0.103276297 -0.130117182 0.001516685 -0.000131131 0.000622643 -0.080450972 0.061164563 -0.005626005 0.001615159 -0.002968155 -0.066156091 -0.063538408 -0.000948808 0.001391777 -0.002719946 -0.059314748 -0.262712433 0.002154828 0.000554881 0.000580977 -0.005865763 -0.010383412 -0.002066367 0.006836949 -0.000645647 -0.078679420 0.000087775 -0.000851979 0.000418877 0.001100601 -0.003433413 -0.085271882 0.000500818 -0.004089097 -0.000223875 -0.015292213 -0.024861056 0.000294657 0.001470047 -0.000539594 0.002033009 -0.000258485 0.000112494 -0.001126765 -0.000327486 0.007585555 0.000785532 0.000386539 -0.003243002 0.000982107 0.029789556 0.006311012 -0.000069506 -0.000281745 0.000189712 -0.001449509 0.000873667 0.000256376 -0.000362686 -0.000021701 -0.005674519 0.004728154 -0.000417335 0.001212985 -0.000181263 -0.022828943 0.018941368 0.002403698 -0.000438281 0.000975140 0.000108208 -0.000713907 -0.001000202 0.002397108 -0.000606883 -0.000402235 -0.010000425 -0.000001433 -0.002428103 -0.000479448 -0.008129330 -0.033742435 0.000605542 -0.000557968 0.000390652 -0.000625681 -0.000246297 0.000078229 0.001560145 -0.001096930 -0.000329960 0.000392855 0.000318964 -0.000519320 -0.001613637 -0.000766276 -0.000239340 -0.001769454 0.002649737 -0.000970114 0.001044172 -0.000033808 0.000792134 -0.000971268 0.000211839 0.000818295 0.001008024 0.000775998 -0.000923482 0.000471615 0.000811519 -0.001315296 -0.000445586 0.000720350 -0.000252448 -0.001148350 -0.002280238 0.000805068 -0.000943780 0.000214868 -0.001235601 -0.006312787 0.000020113 0.000298983 -0.000319597 0.000260020 0.000537674 0.000017442 -0.000171314 0.000075450 0.000347161 0.000090909 -0.000144591 -0.000608046 0.000372656 -0.000287489 -0.000736580 -0.000038520 -0.000546395 0.000331315 -0.000513354 -0.001788619 0.000029648 -0.000163641 -0.000049188 0.000241038 0.000153494 -0.000031608 -0.000031064 -0.000005695 -0.000049027 0.000114140 -0.000152673 -0.000052058 0.000174745 -0.000056554 0.000218073 0.000339418 -0.000049027 -0.000068968 0.000301058 0.000180994 -0.000188853 0.000171730 0.000021177 -0.000002197 -0.000354706 -0.000386122 0.000181983 0.000050101 -0.000454529 0.000734693 -0.000123451 -0.000001365 0.000006875 0.000018064 -0.000069740 0.000032952 0.000121237 -0.000067079 0.000100468 -0.000013696 0.000051604 0.000022565 -0.000068460 0.000063090 -0.000064101 -0.000048487 0.000005044 0.000009333 -0.000216691 0.000015353 0.000033330 -0.000240422 0.000088198 -0.000195744 0.000461546 0.000063905 0.000304828 -0.000162198 0.000262464 -0.000331055 -0.000133769 0.000083031 -0.000004695 -0.000043306 -0.000040379 0.000020964 -0.000205832 0.000078248 -0.000246373 0.000365879 -0.000266768 -0.000044547 0.000148045 -0.000087905 -0.000045877 -0.309371302 0.213041200 -0.074028167 -0.009036129 -0.003576161 0.225692931 -0.344255852 0.101579015 0.007369679 0.001209858 -0.077919058 0.106117951 -0.128316132 -0.003726061 -0.002548666 -0.101215031 -0.013607007 0.021575006 -0.194130224 -0.004102954 -0.033710240 -0.249808586 0.120635895 -0.009273701 -0.081489627 0.035154030 0.152058955 -0.156187663 0.060683522 0.020013551 0.002853036 -0.005519798 0.001873514 -0.015603283 0.012890194 0.026174682 -0.012457938 0.003673444 -0.005624085 0.003209513 -0.016121676 -0.001706017 -0.002300259 0.012341024 -0.010305927 -0.160843775 0.013251848 0.021829586 0.005281863 0.000204138 -0.009399686 -0.106106513 0.032483441 0.002734884 -0.003135311 0.034883783 0.028911395 -0.083112943 -0.001081319 0.004273185 0.000183088 -0.000086966 0.000113507 0.000009332 -0.000031645 -0.000029311 0.000974157 -0.000632480 0.000053949 -0.000011916 0.000247990 0.000303655 -0.000072929 -0.000005781 -0.000057166 -0.000148350 0.000083395 0.000014289 -0.000066281 -0.000001015 -0.000087028 -0.000398456 0.000333562 -0.000006072 0.000002836 0.000382649 0.000443255 -0.000297150 -0.000058894 -0.000018184 0.000303122 0.000230613 -0.000269621 0.000037021 -0.000001764 -0.000246206 -0.000594163 0.000537499 -0.000018434 -0.000028690 -0.000252072 0.000479877 -0.000273778 0.000054514 0.000033419 0.000076283 0.000168533 -0.000109298 -0.000028403 -0.000002228 0.000515484 0.000389153 -0.000438365 0.000004178 -0.000001365 -0.000051844 -0.001019166 0.000554858 0.000162957 0.000005152 -0.000241568 0.001584181 -0.001348344 -0.000163229 0.000400147 0.000614325 -0.001917249 0.000296105 0.000042708 -0.000075553 -0.000755729 -0.000469465 0.000930464 0.000045654 -0.000108038 0.000035736 -0.000460755 0.000227427 0.000017475 -0.000004628 0.000333568 -0.000227582 0.000104824 -0.000088667 -0.000090079 0.000779782 -0.000679985 0.000161359 -0.000017624 -0.000082133 -0.000072919 0.000919436 -0.000498898 -0.000126011 0.000050594 -0.000141540 0.000054674 0.000013812 0.000059130 0.000048293 0.000198710 0.001409909 -0.000863418 -0.000155015 0.000109620 -0.001191120 0.000756298 -0.002945025 0.000470808 -0.000130550 0.003332670 -0.001776984 0.000733545 -0.000224824 -0.000890160 0.000194844 0.000315546 -0.004671180 -0.000347476 -0.000306618 -0.003148390 0.000714708 -0.006578578 0.000123918 -0.000382657 -0.005652314 0.004818156 -0.005406194 0.000585829 0.000275268 -0.008108419 0.004937721 -0.007425790 0.000010918 0.000749541 -0.000216113 0.000240374 -0.000079671 -0.000718921 -0.000154511 -0.000397863 -0.000080634 0.000396942 -0.000472826 0.000671979 0.000212893 -0.000102797 0.000065055 -0.000371500 -0.000679869 0.009276420 0.000931059 -0.005631526 -0.000326360 0.001810891 -0.006897084 -0.020556588 0.006712450 0.003524855 0.000725509 -0.008352923 -0.040431074 0.028381006 0.004478838 -0.002210503 -0.010042037 -0.015444392 0.015066180 0.002170960 -0.000672193 0.000202324 0.003084687 -0.002276282 -0.001241945 -0.000962385 0.005737140 0.018101633 -0.015731321 -0.002279636 0.000059813 -0.000190712 0.004329580 -0.003618168 -0.000431587 0.000831972 0.000936306 0.004234105 -0.002917101 -0.001403317 -0.001551405 0.000452919 0.003900351 -0.003927773 -0.001596765 -0.002058849 0.465943447 -0.079622861 0.191994908 0.063386157 -0.112041701 0.135472014 -0.094575269 0.084865702 -0.066120986 0.109694616 -0.006906099 0.008088654 0.020434976 0.003137592 0.071019466 -0.014988848 -0.005688410 -0.013997213 -0.001781400 0.072925479 -0.046658786 0.005527173 0.011935294 0.000958629 0.000171361 -0.007563278 -0.001601131 -0.006715020 -0.023124735 -0.001193189 -0.022431676 0.001325936 0.004625311 0.017262591 -0.003650239 -0.177091430 -0.000506046 -0.004880755 -0.017108607 -0.001066266 -0.003426702 0.000642032 -0.000114246 0.000537330 0.000274554 -0.003327756 -0.000427885 0.000107393 0.000337379 0.000447268 -0.012254313 -0.000138826 0.000723082 0.000940361 -0.000045967 -0.000690004 0.001112021 -0.000754901 -0.000224107 -0.000061326 -0.005195555 0.000046988 0.000444312 -0.001862390 -0.000330829 -0.016524251 -0.000305367 -0.002217053 -0.006158880 0.000163893 -0.002753156 0.000148942 -0.001070792 -0.000109215 0.000998573 -0.008357388 0.000294217 0.001477920 0.001779212 0.000626699 -0.005439173 0.000189632 -0.000731981 0.001016471 -0.000687308 0.000762989 0.000046951 -0.000088341 0.000086385 0.000052262 0.000653069 0.000053554 -0.000104465 0.000000807 0.000257966 -0.000066007 0.000025242 -0.000018932 0.000055305 0.000274650 -0.000124264 -0.000142203 0.000288524 0.000159198 0.000026859 0.001618160 -0.000664617 -0.000160499 -0.001151945 -0.000292826 0.001105176 -0.000350898 -0.000051439 0.000164661 0.000093653 0.000860882 0.000102497 0.000079338 0.000241631 0.000135466 0.001264233 -0.000211298 0.000163120 0.000115669 -0.000322814 0.000265310 0.000084870 -0.000019772 0.000092436 0.000123580 0.000179188 -0.000018346 0.000000257 0.000020783 -0.000015046 0.000693414 -0.000026146 0.000007319 -0.000030865 -0.000026288 0.000603920 -0.000031061 0.000041100 0.000035555 -0.000084535 0.000012144 -0.000016855 -0.000030234 0.000026016 -0.000010009 -0.000073187 0.000016890 -0.000003382 0.000018407 0.000001198 -0.000082024 0.000014210 0.000035275 -0.000043348 -0.000011053 -0.000138841 -0.000023548 -0.000010148 0.000043505 -0.000005470 0.000114520 0.000078682 -0.000049408 0.000167019 -0.000019802 0.000156064 0.000099669 -0.000092795 -0.000082127 0.000080255 0.000089500 0.000009056 0.000002526 0.000022805 -0.000005177 0.000032221 0.000005159 0.000012392 0.000020748 -0.000003958 -0.000036509 0.000001603 0.000008490 0.000027764 0.000000256 -0.000079471 -0.000000159 0.000012451 -0.000030257 0.000015037 -0.000048492 -0.000028907 -0.000052356 -0.000165912 0.000027986 -0.000153879 0.000030047 0.000059030 0.000167033 -0.000009220 0.000047504 0.000032084 -0.000008588 0.000014031 0.000007481 0.000050690 -0.000028828 -0.000056333 -0.000163707 0.000006796 0.000104314 0.000038449 -0.000013274 0.000016505 0.000018796 -0.000633562 0.004642989 -0.000668025 -0.000517122 0.001985889 -0.001437838 -0.001699052 -0.000659787 0.000236135 -0.000625248 -0.000476900 -0.000067561 0.000365038 -0.000880826 0.000015421 0.071607234 -0.022494218 -0.001316263 0.011488891 -0.008705987 0.030214742 0.015952704 0.002756595 -0.009921526 -0.026904048 -0.104986342 -0.009774727 -0.003282193 0.007210937 0.006051539 -0.009530627 -0.004013683 -0.000795397 0.002814827 0.000737386 -0.002538405 -0.001927825 0.000628954 0.000967636 0.000913461 0.003215962 0.002234895 0.000735757 -0.001109146 -0.000230664 0.000861903 0.000701788 0.000999395 -0.000612283 -0.000907125 0.002676687 -0.000437774 0.000476463 -0.000143596 -0.001212010 0.001786448 0.000144783 -0.000349894 0.000113350 0.002151392 0.000017570 -0.000049770 0.000078240 0.000033392 -0.000007137 0.000019821 -0.000029071 0.000088074 0.000018363 0.000006024 0.000012874 -0.000057735 0.000095584 0.000030717 0.000013859 0.000027528 0.000021645 -0.000040235 -0.000008618 0.000012978 -0.000021514 0.000002900 -0.000019948 -0.000000792 -0.000004412 0.000081506 -0.000033677 0.000056792 0.000020815 0.000025459 -0.000006171 -0.000002454 0.000008705 -0.000001507 -0.000006253 -0.000031743 -0.000001296 -0.000018843 0.000000987 0.000003639 -0.000009863 0.000008789 0.000002894 -0.000009825 -0.000010183 0.000014781 0.000007459 -0.000014727 -0.000003987 0.000006717 0.000010448 0.000000894 0.000005486 -0.000001721 -0.000001262 -0.000078487 -0.000026926 0.000032827 0.000004676 -0.000036572 0.000263356 0.000279292 -0.000403690 -0.000132391 0.000083727 -0.000011019 -0.000070624 -0.000083652 0.000056633 -0.000057272 0.000032066 -0.000007755 0.000072795 -0.000035216 0.000014188 -0.000015624 -0.000020519 0.000021328 0.000018106 -0.000000673 0.000077264 -0.000037670 0.000022492 0.000046504 0.000024933 0.000036994 -0.000063159 0.000034895 0.000062902 0.000011534 0.000088622 0.000019992 -0.000018301 0.000005370 0.000040943 -0.000013702 0.000009075 0.000005555 -0.000007517 -0.000016205 0.000135356 0.000044513 -0.000052987 0.000000625 0.000052476 -0.001002731 -0.000263020 0.000661906 0.000069749 0.000081163 -0.000503290 -0.000239912 0.000559831 -0.000366394 0.000794729 -0.000463283 -0.000063450 -0.000370122 -0.000509721 0.000161503 0.000113004 -0.000125200 0.000056225 0.000147920 -0.000050710 0.000061619 -0.000050965 0.000176832 0.000091149 -0.000081613 0.000070965 0.000402105 0.000041619 -0.000270047 -0.000099953 0.000264527 0.000400480 -0.000542329 -0.000127924 0.000079332 -0.000181723 0.000145597 -0.000584463 -0.000457088 -0.000016293 -0.001538856 -0.000303328 -0.000195807 -0.000514489 -0.000026779 0.003947372 -0.000336843 0.000396799 0.000163617 -0.000164517 -0.000850594 -0.000294769 -0.000476979 -0.000432891 -0.003458374 -0.005348282 -0.000957662 0.001212266 0.000325178 -0.001295976 -0.001832726 -0.000036923 0.000027041 -0.000027509 -0.000668775 -0.000914873 0.000021873 0.000175104 0.000210130 0.000879152 -0.000128186 0.000405729 -0.000567669 -0.000096565 0.000554404 0.000695895 0.000036387 -0.000062998 -0.000005256 0.000090275 0.000642078 -0.000046982 0.000106928 0.000142274 0.001253692 0.000582936 0.000068661 -0.000245606 -0.000049617 0.000073854 0.284840650 0.015585658 0.057831459 -0.001967969 -0.008861340 0.583894722 -0.009656505 -0.033800474 -0.020400968 0.511334941 0.000381320 -0.005183947 -0.000496385 -0.035682536 0.490769598 0.000614758 0.000499750 -0.242269179 -0.038708712 0.087615218 0.000143360 0.000207434 -0.037937387 -0.058102134 0.019629245 -0.000373738 0.001120571 0.087458400 0.020287223 -0.088482041 -0.000368191 -0.000302394 -0.165983100 0.100107125 -0.075789123 0.000763668 0.000428649 0.098272112 -0.134002908 0.066771361 -0.000330588 0.001238181 -0.075136685 0.066919885 -0.096958325 0.000462669 0.000242885 -0.090186422 -0.026714848 -0.000905093 0.000920714 0.000364348 -0.029484960 -0.197305167 -0.008468716 -0.002652647 -0.006570299 -0.003922051 -0.010635682 -0.082573335 -0.000052767 -0.000172539 -0.007008798 -0.001299229 0.001682820 0.000143239 0.000075356 -0.032023562 -0.006199564 0.010445143 0.000127048 0.000002342 -0.004089085 0.000816077 0.001631923 -0.000011462 0.000294525 0.005220466 -0.005199602 0.004865678 0.000537791 0.000149004 0.020978842 -0.020718720 0.016563166 -0.000045927 -0.000020726 0.002998774 -0.003114042 0.002467318 -0.000601087 -0.000656250 -0.000711604 -0.002600556 -0.009364566 -0.000508252 -0.001829118 0.002395362 -0.009562049 -0.033971248 0.000262367 0.000284628 -0.000670693 -0.006571935 -0.004741851 -0.000011637 0.000014837 0.000363646 -0.000409323 0.000077641 -0.000133108 -0.000350624 0.000558393 0.001275376 -0.003218087 -0.000257189 -0.000668960 0.001374991 0.000424144 -0.006544944 0.000070056 0.000066937 0.000449665 -0.000307550 -0.000540144 0.000017640 0.000052833 0.001730849 0.000816830 -0.000063960 -0.000028851 0.000012611 0.000866905 0.001847706 0.001248975 0.000078342 0.000115872 -0.000125271 0.000068671 0.000637402 -0.000143884 -0.000113870 -0.000816150 0.001676038 -0.001120647 -0.000092086 0.000098176 0.000829667 -0.000201338 0.000002860 -0.000009554 -0.000035432 -0.000164517 -0.000005223 -0.000357114 0.000005264 0.000007925 -0.000258865 0.000090299 -0.000035921 0.000020097 0.000009436 0.000019905 -0.000069317 0.000008525 0.000002847 0.000000006 0.000699321 -0.000373508 -0.000207643 0.000044539 0.000084765 0.000283595 -0.000591881 -0.000328659 0.000030821 0.000015003 -0.000466858 0.000112351 -0.000616163 -0.000040518 -0.000033552 0.000096308 0.000399703 -0.000046375 0.000023149 0.000031114 0.000460709 -0.000587077 -0.000091204 -0.000096672 -0.000083555 0.000200184 0.000622871 0.000217697 -0.000010160 0.000621032 0.002966414 0.000062751 -0.001223012 -0.000468537 0.000191382 -0.001714438 -0.000629522 0.000648891 0.000864241 -0.000338528 0.000783961 -0.000181889 0.000489626 -0.003926555 0.004572467 -0.001455208 0.002220540 0.011119463 -0.001326088 0.015595485 0.001742553 0.002127379 0.001741229 0.005344583 -0.001565541 0.030763329 0.003273947 -0.020012273 -0.000426796 -0.000137427 0.000316905 -0.000007297 -0.000975452 0.000452695 -0.000620294 0.000061062 0.000115804 0.000193450 0.000409363 0.000175277 0.000259440 -0.000400837 0.001780818 -0.001155968 0.000697490 -0.001728389 -0.000219322 0.000203893 -0.000752929 0.000818322 -0.001452868 -0.000297288 0.000074237 0.000941555 -0.001043176 0.000209355 0.000224903 0.000294418 -0.000028413 0.000062773 -0.000064745 0.000001405 0.000037330 -0.000056143 0.000041041 -0.000058594 -0.000002607 0.000021143 -0.000032384 0.000077040 -0.000061220 0.000000717 0.000038325 0.000037131 -0.000021065 0.000033702 -0.000003731 -0.000008732 0.000010847 -0.000013581 0.000011474 0.000000829 -0.000008176 -0.000015421 0.000023941 -0.000030622 -0.000015140 0.000031233 -0.000012720 -0.000000006 -0.000008701 0.000000867 -0.000000685 0.000031812 -0.000014151 0.000014018 0.000006869 -0.000010016 -0.000025154 0.000006245 -0.000007593 -0.000002243 -0.000000366 0.000013308 -0.000005048 0.000010735 -0.000001362 -0.000002695 -0.000007591 0.000003137 -0.000004289 -0.000000181 0.000003586 -0.000044004 0.000009371 -0.000031793 0.000018226 -0.000008806 0.000124167 -0.000308469 0.000312746 -0.000065355 -0.000124465 0.000108176 -0.000108465 0.000029812 0.000052092 -0.000050382 -0.000002237 0.000095362 -0.000007322 0.000035092 -0.000011418 -0.000007951 -0.000003753 -0.000007155 0.000001260 0.000002053 0.000062326 -0.000003269 -0.000014257 0.000007164 0.000016806 0.000035672 -0.000011798 -0.000026941 0.000020548 0.000007156 0.000011127 -0.000008347 0.000011888 -0.000025993 0.000019350 -0.000045341 0.000001348 0.000000434 -0.000012390 -0.000003710 0.000012314 -0.000027369 0.000038361 -0.000042913 0.000012631 -0.000541178 0.000095777 -0.000363895 -0.000141647 0.000023489 -0.000026607 -0.000018213 -0.000065914 0.000258475 -0.000074427 0.000135337 -0.000188278 0.000045119 0.000000209 0.000201683 0.000144956 0.000172106 -0.000148457 0.000119770 0.000052069 -0.000272948 0.000018578 -0.000205825 -0.000045921 0.000023653 -0.000230820 0.000036709 0.000049187 -0.000257107 0.000014274 0.000491820 -0.000330789 0.000485209 0.000051495 -0.000163884 -0.000121445 0.000135843 0.000225324 -0.000196671 0.000017154 0.000079886 -0.000217125 -0.000092999 0.000087031 -0.000234598 0.000542747 0.001399856 -0.000985248 0.000107378 0.000606276 -0.000992250 0.002606206 -0.001575289 -0.000198127 0.001023509 -0.001679890 0.000205009 -0.000765427 0.000735036 0.000015503 -0.000692079 -0.000304767 -0.000151932 0.000173110 -0.000283914 0.000352267 -0.000662775 0.000689552 0.000062263 -0.000316029 0.000287295 -0.000322215 0.000870157 -0.000516443 0.000078213 0.000233472 0.000197871 0.000107332 -0.000137974 -0.000047637 0.001010788 -0.000797519 0.000240631 0.000536177 -0.000307688 0.000975954 0.000234528 -0.000201840 0.000242962 0.000285971 0.260808015 0.046351266 0.062702755 -0.098323395 -0.018386042 0.096859921 -0.017410304 0.015801710 -0.012877028 0.173975836 -0.004559395 0.003930525 -0.003682573 -0.107054838 0.147624251 0.009014110 -0.008723672 0.006265523 0.085640499 -0.070593876 -0.007679605 -0.030649250 -0.004714640 0.006114763 0.022405536 -0.001007729 -0.006832156 -0.002252402 -0.006158938 -0.019735550 0.003244632 0.012058344 0.000784079 0.004464280 0.015544640 0.000904636 -0.001643396 -0.000006349 0.001069656 -0.000180261 -0.002053361 -0.006324087 -0.001307906 0.000346412 0.001143609 0.000056238 -0.001052501 -0.000047504 0.000565772 0.000087407 0.000620365 0.000499698 0.000421025 0.000893882 -0.001808774 -0.000463763 0.000996068 0.000194218 -0.002276431 -0.006228554 -0.000039479 0.000282444 -0.000164271 -0.000078665 -0.001663474 0.000271657 -0.000908030 -0.001159792 -0.000095701 0.000331944 0.000663392 0.001402954 -0.000346232 0.000704200 0.000312550 0.000626807 0.001270535 0.000798483 -0.000256852 0.000919853 0.000399981 0.000454796 -0.000049269 0.000095171 -0.000255135 0.000103167 0.000263748 0.000078832 0.000060694 0.000200790 -0.000181835 0.000291824 0.000099570 0.000249990 -0.000135600 0.000370150 0.000804223 0.000172885 0.000076362 -0.000082815 -0.000462731 -0.000077963 0.000062686 -0.000039128 -0.000025434 -0.000891458 -0.000772362 0.000243759 -0.000094760 -0.000063956 0.000002344 0.000071380 -0.000026347 0.000280239 -0.000096207 -0.000222954 -0.000004573 0.000060641 0.000515482 -0.000227816 -0.000265125 -0.000221309 0.000166216 -0.000896114 -0.000184788 0.000231091 0.000119217 0.000049293 -0.000116784 -0.000124890 0.000146088 -0.000081714 0.000028833 0.000035485 -0.000115636 0.000122242 0.000150796 0.000036321 0.000069594 -0.000036300 -0.000328499 -0.000043781 0.000095623 -0.000078546 -0.000004755 0.000072863 -0.000026632 0.000116532 -0.000644634 0.000426820 -0.000015262 -0.000030637 0.000057676 0.000016396 -0.000969416 0.000016364 -0.000042538 0.000064914 -0.000037695 -0.000115580 0.000005249 0.000044976 0.000034273 -0.000429108 0.000486470 -0.000111203 -0.000070390 -0.000017271 0.000068415 -0.000024876 0.000498662 -0.000221895 -0.001226329 0.000042884 -0.000238940 -0.000593756 0.000553992 0.001152058 0.000099775 0.000518096 0.000417962 0.000034544 -0.000619387 -0.000131334 0.000100327 0.000704026 -0.000602428 -0.001513852 0.001041567 -0.000483503 -0.000341431 0.001307471 -0.000486056 -0.001039737 0.000220894 0.002196751 -0.001582390 -0.006799998 0.000411957 0.000394595 0.000189855 -0.000165423 0.000205154 0.000318935 -0.000103879 -0.000210879 0.000003081 -0.000108535 0.000334391 -0.000062876 -0.000457505 0.000300414 0.000011043 -0.000338788 0.000285545 -0.000512050 0.000327147 0.001129535 0.000247418 -0.000161395 -0.000284501 0.000294976 0.000870704 0.000142731 -0.000004826 0.000321937 -0.000066188 -0.000552191 -0.000172944 -0.000000306 0.000005962 0.000000131 0.000000349 -0.000005305 -0.000004035 0.000004737 -0.000003179 0.000001915 -0.000010718 -0.000004271 0.000014254 -0.000001596 -0.000008442 -0.000009478 -0.000002979 0.000011914 -0.000000550 -0.000016646 -0.000002467 0.000003421 0.000002232 0.000000546 -0.000003486 0.000000579 0.000001437 0.000035928 -0.000003469 -0.000035835 -0.000021073 0.000003262 -0.000006221 -0.000000976 0.000007650 -0.000000268 0.000000186 0.000002984 0.000000760 -0.000003970 0.000000081 0.000002436 -0.000013410 0.000001384 0.000015880 0.000004841 -0.000001829 0.000003383 0.000000300 -0.000006046 0.000002077 -0.000000252 -0.000002127 -0.000000738 0.000000695 -0.000000208 -0.000000019 -0.000040086 0.000002941 0.000049180 0.000011699 -0.000004326 0.000011191 -0.000003895 -0.000050093 0.000017083 0.000015161 -0.000032957 0.000005689 0.000027014 0.000022914 -0.000003994 -0.000051221 0.000002483 0.000057110 0.000025277 -0.000012487 -0.000002970 0.000000897 0.000004256 -0.000000965 -0.000000893 0.000033369 -0.000003513 -0.000033153 -0.000016205 0.000004015 0.000015600 -0.000002504 -0.000015937 -0.000010038 0.000000283 0.000041715 -0.000000765 -0.000050769 -0.000007438 0.000000318 -0.000015166 0.000000760 0.000018338 0.000002654 -0.000001146 0.000047370 -0.000002100 -0.000060584 -0.000008014 0.000003208 -0.000012975 0.000005708 0.000068029 -0.000036123 -0.000006746 0.000119317 -0.000022471 -0.000129046 -0.000097314 -0.000003290 0.000104925 0.000003697 -0.000105932 0.000054889 -0.000024111 -0.000012349 -0.000001718 0.000029685 -0.000005006 -0.000013432 -0.000085191 0.000012191 0.000122617 0.000018652 -0.000017803 -0.000044670 0.000007165 0.000064402 0.000030900 -0.000001338 0.000021747 -0.000005642 -0.000078202 0.000039975 0.000007106 -0.000001004 0.000013579 -0.000025707 0.000044575 0.000013045 -0.000008279 0.000001619 0.000024682 -0.000003744 -0.000002151 0.000112782 -0.000006943 0.000009060 -0.000122097 0.000016015 -0.000643713 0.000092172 0.000947449 0.000288555 -0.000055324 -0.000822486 0.000006900 0.001024580 0.000237667 -0.000139388 -0.000412623 0.000037301 0.000525598 0.000237634 -0.000095131 0.000195185 -0.000037843 -0.000341080 -0.000100019 0.000035569 0.000505760 -0.000052579 -0.000737756 -0.000174679 0.000100080 0.000099057 0.000015315 -0.000118215 -0.000050628 0.000021191 0.000098350 -0.000002673 -0.000125486 -0.000052020 -0.000007017 0.000018616 0.000016776 0.000008360 -0.000005290 0.000014217 0.109277888 0.003710225 0.599024727 -0.002667738 -0.020621872 0.514546109 0.001984731 0.004872019 -0.035305247 0.527326519 -0.000233862 -0.278017546 -0.037874389 0.077677075 0.296115300 0.000617247 -0.036494648 -0.053802348 0.014146994 0.042498529 0.000332092 0.077528892 0.014031722 -0.074371601 -0.086712514 -0.000401575 -0.143652407 0.087826993 -0.089016639 -0.015727194 -0.000761558 0.088187399 -0.131610768 0.084748621 -0.003420066 0.000319308 -0.088851548 0.085069538 -0.133264416 0.006184745 0.000619869 -0.084375619 0.005334895 0.010743090 -0.001211859 0.000030331 0.003272305 -0.095186304 -0.035359041 0.000190487 0.000092186 0.011970395 -0.033376329 -0.192317581 -0.000366208 -0.000132833 0.000112563 0.004010280 0.000786621 0.000310199 0.000173253 -0.002328970 -0.009357210 0.000594310 0.000518261 0.000130159 -0.007634246 -0.033305036 -0.002025328 0.000381385 -0.000038420 -0.002566447 -0.000747233 0.001026166 0.001378963 -0.000061348 0.009922511 0.001009705 -0.003200560 0.000419786 0.000017914 0.031558345 0.003895569 -0.011397807 -0.000212321 -0.000147705 0.001608955 -0.002712608 -0.001755184 0.001363139 -0.000231921 -0.007749443 0.007716157 -0.003403320 0.000094052 -0.000969013 -0.021546081 0.016047488 -0.023714101 -0.000606738 0.000007403 0.000972465 -0.000332282 0.001427021 0.000280138 0.000116618 -0.000587929 0.000501688 -0.000781320 -0.000355145 0.000054848 -0.001365020 -0.000476149 0.001723986 0.000720151 -0.000344786 0.000400085 -0.000665515 0.000632993 -0.000004895 -0.000895006 -0.000002247 -0.000051670 -0.000721242 0.000056860 -0.001255516 0.000728223 0.000473243 0.000738941 -0.000075446 0.000059399 -0.002660809 0.002760395 -0.001077974 0.000202400 -0.000103390 0.002529914 -0.001785967 0.001290928 0.000025901 0.000087224 -0.004039582 0.003589762 -0.000829519 0.000014501 0.001019579 -0.001380247 0.001456525 -0.000178284 -0.000351355 -0.000491553 0.000592992 -0.001342772 0.000538138 0.000788263 0.000047203 0.000837343 -0.000746330 0.000297179 -0.000037590 -0.001180218 -0.000107986 -0.000851786 -0.000977490 0.000523297 -0.000435838 0.000053102 -0.001076812 -0.000327101 0.001142115 0.002467686 -0.000271354 0.000057890 -0.000885558 0.000999097 0.000814723 -0.000085232 -0.000118769 0.000156388 -0.000002677 -0.000339951 0.000100013 0.000018878 -0.000074498 -0.000009915 -0.000255824 -0.000094109 0.000030599 -0.000047578 -0.000068843 0.000097773 -0.001074835 -0.000214860 0.000416234 0.000045907 -0.000059987 -0.000115356 -0.000400199 0.000433229 0.000008169 -0.000035703 -0.000317633 0.000190355 0.000162340 -0.000201194 -0.000024734 0.000002168 0.000008828 -0.000021731 -0.000000496 -0.000025300 -0.000000759 0.000013691 -0.000027729 -0.000001943 -0.000030515 0.000003104 0.000010680 -0.000026872 0.000002038 0.000009436 -0.000003615 -0.000001513 0.000001581 0.000007283 0.000004062 0.000000359 -0.000001057 0.000005461 0.000001127 -0.000026152 0.000002076 0.000013902 -0.000035429 0.000012243 -0.000003167 0.000005544 -0.000001501 0.000000304 -0.000004593 0.000002545 0.000000637 -0.000004755 0.000011703 0.000001654 0.000003212 -0.000002958 0.000000159 0.000001146 -0.000004171 0.000005042 -0.000001501 -0.000000719 -0.000000671 0.000002919 -0.000001736 0.000004510 0.000000281 -0.000004278 -0.000001528 -0.000003832 0.000008801 -0.000008523 0.000026798 -0.000020502 0.000130466 -0.000033289 -0.000031210 0.000064356 0.000027082 0.000012934 -0.000004999 -0.000014910 0.000028390 0.000002453 0.000006239 0.000001305 -0.000009409 0.000047489 -0.000023837 -0.000006342 -0.000001263 0.000001318 -0.000000526 -0.000000074 -0.000018606 0.000003359 0.000000137 -0.000011515 0.000013509 -0.000023877 0.000008257 0.000001086 -0.000010806 0.000005390 0.000006641 -0.000014789 0.000012458 -0.000030696 0.000022408 0.000002424 -0.000001003 0.000000131 0.000001066 -0.000006574 0.000016446 -0.000014539 0.000010050 -0.000032656 0.000025886 -0.000167321 -0.000011055 0.000080746 -0.000139974 -0.000005617 -0.000141970 0.000048075 0.000025275 0.000070065 0.000006335 0.000097201 -0.000085774 -0.000036318 -0.000021017 0.000102233 -0.000046228 -0.000019646 0.000007382 -0.000013792 0.000002635 -0.000052413 -0.000067391 0.000003494 -0.000067833 0.000016464 0.000101748 -0.000090316 0.000001157 -0.000053269 0.000022355 0.000188432 -0.000042858 -0.000060384 0.000112162 0.000045250 0.000137805 -0.000038423 -0.000012881 -0.000007754 0.000022300 -0.000024963 0.000008239 0.000019256 0.000040870 -0.000010182 -0.000202855 0.000041896 -0.000004195 -0.000134815 0.000060122 0.000013253 0.000238563 -0.000107013 -0.000161864 -0.000338729 -0.000166991 0.000340204 -0.000014658 0.000532442 -0.000570450 0.000139810 0.000059401 -0.000114283 0.000340947 -0.000234023 -0.000032114 -0.000056359 0.000064507 0.000014656 0.000097723 0.000061020 -0.000102929 0.000139589 -0.000405060 0.000271394 -0.000019255 -0.000077577 0.000003647 -0.000058691 0.000082707 -0.000002566 -0.000100457 -0.000095645 0.000215417 0.000136837 0.000018072 -0.000003669 -0.000058168 -0.000134985 0.000062000 0.060218090 -0.012895742 0.082167363 0.016527353 -0.017360334 0.147952602 0.002914517 -0.003449392 -0.094371519 0.146428951 -0.006303435 0.006323466 0.097708678 -0.088288973 0.145780366 0.010119118 0.029621699 0.001913259 -0.007924224 -0.019645946 0.000784296 0.004613816 -0.002782775 0.005709211 0.017340129 -0.003961234 -0.011829460 0.004411678 -0.007450805 -0.017841532 0.000454734 -0.000345073 -0.000008585 -0.000500277 -0.000345310 0.000201451 -0.000006148 -0.000316820 0.000801954 -0.000230559 0.000382245 0.001091754 -0.000507498 0.000204055 0.000997338 0.000011251 0.000627970 0.000701256 0.000065540 0.000438039 0.000074381 -0.001941741 -0.000411540 0.000154093 0.000501204 -0.002436385 -0.005681596 -0.000343284 0.000571626 0.000864757 -0.000314553 0.001414464 0.000580181 0.000310569 0.001997661 -0.000015675 0.000172397 0.000036854 -0.000091728 -0.003370369 0.000615066 0.001450816 0.000291130 -0.002312397 -0.005053713 -0.000137871 -0.000986713 0.000441205 0.000084888 0.000042781 0.000109528 0.000192066 -0.000083242 -0.000157854 -0.000196954 0.000216264 -0.000278232 0.000270864 0.000095006 0.000196989 -0.000055824 -0.000046239 -0.000024570 0.000014496 0.000179107 0.000018659 -0.000031212 0.000034859 0.000135567 0.000066262 -0.000042964 -0.000075010 -0.000044987 -0.000289603 0.000161638 0.000118423 -0.000267281 0.000317362 -0.000227400 -0.001101239 -0.000115178 -0.000210247 0.000139898 0.000333265 0.000872890 0.000037799 0.000512512 -0.000087037 -0.000608447 -0.001308206 0.000446200 -0.000011477 0.001379927 -0.000769065 -0.000417263 -0.000939261 0.000158120 -0.001975044 0.000467220 0.000819874 0.000170901 0.000359498 -0.000432638 0.000430496 -0.000978384 0.000542833 0.000234784 -0.000113856 0.000036551 -0.000013319 0.000512479 0.000272468 -0.000606616 0.000300991 0.000427412 0.000967933 0.000309893 0.000636659 -0.000527928 -0.000133455 0.000101287 -0.000031811 0.000006456 -0.000157607 -0.000047405 -0.000301651 -0.000047400 -0.000179132 0.000085169 0.000088632 -0.000259386 -0.000159449 -0.000067102 0.000121884 0.000042847 -0.000137053 -0.000065085 0.000373072 -0.000220626 -0.000346519 -0.000177780 -0.000030654 -0.000163688 0.000025400 -0.000025957 0.000122965 0.000143909 0.000141341 -0.000007477 -0.000031257 -0.000000634 0.000001002 -0.000000129 0.000002083 0.000003776 0.000006098 0.000001630 0.000009395 0.000002291 0.000000278 0.000004979 0.000004786 -0.000000130 0.000003633 0.000004409 0.000005914 0.000006994 -0.000004435 0.000000092 0.000001808 -0.000002259 0.000000867 -0.000003745 -0.000000121 0.000001497 0.000016343 0.000018430 -0.000006419 0.000007544 0.000009112 0.000000081 -0.000003539 0.000003134 0.000000955 -0.000001773 -0.000004104 -0.000000582 -0.000005807 0.000000722 0.000000451 -0.000003446 -0.000004311 0.000006572 -0.000002822 -0.000004555 0.000003399 0.000002077 -0.000000434 -0.000001477 0.000000756 0.000003693 0.000000186 0.000002571 0.000000298 -0.000000540 -0.000023224 -0.000022049 0.000005984 -0.000000412 -0.000008152 0.000033722 0.000021094 0.000003087 -0.000012186 -0.000011349 -0.000022051 -0.000010318 -0.000004822 -0.000003224 0.000001867 -0.000026996 -0.000031345 0.000010352 -0.000003814 -0.000012879 -0.000004616 -0.000000722 -0.000001720 0.000001048 0.000001127 0.000011412 0.000013012 -0.000011208 0.000008188 0.000007659 0.000003408 0.000007088 -0.000007551 0.000007227 0.000006987 0.000022662 0.000022183 -0.000004137 -0.000004113 0.000008983 -0.000005994 -0.000005553 0.000004695 -0.000000450 -0.000003179 0.000031130 0.000027448 -0.000003403 -0.000004691 0.000007609 -0.000020917 -0.000011646 0.000025521 0.000009452 0.000006425 0.000075086 0.000052870 -0.000022542 0.000035234 0.000017727 0.000081845 0.000055366 -0.000013703 -0.000015251 0.000024371 0.000010237 -0.000009561 0.000034765 -0.000002069 -0.000014882 -0.000036031 -0.000032833 0.000037377 -0.000010380 -0.000016283 0.000014455 0.000004922 0.000059479 -0.000030098 -0.000045737 0.000034729 0.000027577 -0.000022464 -0.000012481 0.000000825 0.000006845 0.000016309 -0.000009974 -0.000024969 -0.000002503 -0.000007465 -0.000006274 0.000003860 -0.000004260 -0.000002653 0.000129445 0.000114782 -0.000028053 0.000051584 0.000015149 -0.000467591 -0.000383627 0.000043469 -0.000044149 -0.000066271 -0.000643699 -0.000571774 0.000119764 -0.000014362 -0.000141390 -0.000330997 -0.000290304 0.000040565 -0.000053010 -0.000058643 0.000116319 0.000111372 -0.000029124 0.000023057 0.000024445 0.000347176 0.000300522 -0.000052114 0.000018058 0.000081044 0.000072491 0.000078435 -0.000019535 0.000007743 0.000020887 0.000119376 0.000095557 -0.000056529 0.000025367 0.000026852 0.000061233 0.000039699 -0.000027655 0.000001158 0.000027416 0.563201678 0.028262732 0.571965825 -0.024737606 -0.002464517 0.485074382 -0.061266921 -0.050808814 -0.000728812 0.060770775 -0.049131960 -0.293972854 -0.008353070 0.051771482 0.317348616 -0.000492176 -0.008432666 -0.047406876 0.004449132 0.008847816 -0.271991103 -0.029592941 0.073019584 -0.004498069 -0.000545871 -0.031439513 -0.054996098 0.009989346 -0.029270785 -0.002278764 0.073819118 0.009727490 -0.071637222 -0.001673353 -0.000082592 -0.133369948 0.039321682 -0.049583324 0.004073618 -0.003304696 0.038995776 -0.114613906 0.036734880 0.022575666 -0.014771075 -0.048959071 0.039265004 -0.130395960 -0.000316199 -0.000307929 -0.019614382 -0.002390533 0.006422178 0.000746647 0.000360094 0.016279922 0.001716599 -0.005375657 -0.000037237 0.000323442 -0.021218244 -0.002751107 0.006776383 0.000756492 -0.000353118 0.005506280 0.022355337 -0.000386529 -0.002215878 0.002594214 -0.003533611 -0.014122333 0.000592918 0.002603212 -0.000191604 0.006187928 0.020915173 -0.000151758 -0.003055952 0.002225720 0.001900177 -0.009894648 -0.020025965 0.000787949 -0.000165696 -0.002134363 0.006622329 0.017290250 -0.000646527 0.000834811 0.003743507 -0.009077395 -0.017288161 0.000548908 0.000479182 0.000425124 -0.000694545 0.000064374 -0.000063236 -0.000098949 -0.000218883 0.000741713 -0.000132145 0.000085039 0.000362194 -0.000432408 0.000287158 0.000117055 -0.000037851 -0.000156934 0.000444412 -0.000098780 -0.000001838 -0.000003238 0.000035938 0.000737048 0.000743490 0.000004486 -0.000004663 0.000181943 0.001266334 0.000781520 0.000457306 -0.000242248 -0.000302230 0.000053273 0.000055006 -0.000026478 0.000011654 0.000032422 -0.000089973 -0.000039160 -0.000028056 0.000013114 0.000021410 -0.000112809 -0.000090058 -0.000030516 0.000011920 0.000005251 0.000237094 -0.000075552 -0.000199641 0.000039929 0.000315142 -0.000024259 0.000034034 -0.000126541 0.000046843 0.000231305 -0.000039902 -0.000069873 0.000175388 -0.000047436 -0.000181104 -0.000004262 -0.000005623 0.000005308 -0.000001519 -0.000005878 0.000000928 -0.000005043 0.000006880 -0.000002131 -0.000009676 -0.000002923 -0.000004813 0.000009591 -0.000002274 -0.000008849 0.000002285 0.000004079 0.000004413 -0.000001563 -0.000002033 -0.000001979 0.000001372 0.000000435 -0.000000428 0.000000448 -0.000001507 0.000000207 0.000023125 -0.000006828 -0.000019897 0.000000400 -0.000000995 -0.000002135 0.000001548 0.000001077 -0.000002083 0.000000839 -0.000001261 0.000000771 0.000005671 0.000002165 -0.000002316 -0.000005338 0.000001672 0.000003591 0.000001016 0.000001231 -0.000000033 -0.000000043 -0.000000081 0.000001115 0.000000028 0.000000154 0.000000499 -0.000002309 -0.000004718 -0.000005082 -0.000017795 0.000005759 0.000014739 0.000027473 0.000029713 -0.000008231 0.000000902 0.000011247 0.000003611 0.000010037 -0.000019078 0.000003786 0.000012765 -0.000001068 -0.000008082 -0.000025725 0.000007864 0.000022336 -0.000000807 -0.000000694 -0.000000626 -0.000000049 0.000001221 -0.000001582 0.000004677 0.000014819 -0.000003220 -0.000006411 -0.000002137 0.000003784 0.000007827 -0.000001978 -0.000006019 0.000002207 0.000002037 0.000016309 -0.000005919 -0.000013851 0.000001420 -0.000002481 -0.000004794 0.000001129 0.000002664 0.000006464 0.000004444 0.000018153 -0.000005779 -0.000014803 -0.000011851 -0.000036921 0.000019238 -0.000005739 -0.000025663 -0.000008773 0.000018508 0.000046834 -0.000011720 -0.000030364 0.000053893 0.000040172 0.000023199 -0.000007451 -0.000009958 0.000017913 -0.000000833 -0.000001893 0.000001305 -0.000002874 0.000030535 -0.000008912 -0.000020119 0.000005267 0.000014716 0.000038453 -0.000012725 -0.000009931 0.000002274 0.000008695 0.000039926 0.000054581 -0.000017673 0.000000917 0.000023760 0.000015042 0.000004686 -0.000007667 0.000001583 0.000011145 0.000004139 0.000006375 -0.000001557 -0.000000835 -0.000002086 0.000020967 -0.000002119 0.000123242 -0.000020495 -0.000100536 -0.000195098 -0.000225792 -0.000205552 0.000073240 0.000116687 -0.000252699 -0.000184464 -0.000370285 0.000108758 0.000280777 -0.000104684 -0.000041425 -0.000231027 0.000061404 0.000187055 0.000048033 0.000051151 0.000070350 -0.000026412 -0.000037588 0.000090177 0.000045725 0.000237556 -0.000072985 -0.000201645 0.000041079 0.000033642 0.000040635 -0.000011913 -0.000016048 0.000107617 0.000133207 0.000002282 -0.000006231 0.000027525 0.000062170 0.000014240 0.000005823 -0.000003096 -0.000017164 0.056045037 0.001355158 0.295042788 0.009761201 0.030476849 0.053729259 -0.000151020 -0.078761991 -0.011360792 0.081879764 0.004031444 -0.019124971 0.017036642 -0.021976866 0.541977775 0.022307896 -0.002604564 0.001606032 -0.002546173 0.024803562 -0.001020043 0.006258179 -0.004942484 0.005993452 -0.035863845 0.000129480 -0.001507747 0.002831630 -0.003102660 -0.284058940 -0.000823980 0.002317654 -0.000866300 0.002428052 -0.022345256 0.000591031 -0.003377798 0.002306282 -0.002420326 0.080275198 -0.003460189 0.000867294 0.000038054 0.000859440 -0.062828906 0.002205391 0.000366221 0.000629105 -0.000289618 -0.059353250 -0.002331863 0.000264841 -0.000820987 0.000761067 0.004063055 0.000774914 0.000408599 -0.000707372 0.000358688 -0.050484092 0.000036180 -0.000395189 0.000303491 -0.000678852 0.006273333 0.000496155 -0.000468814 -0.000185082 0.000686554 0.016832938 -0.000130112 -0.000041551 0.000018996 0.000033843 -0.000180773 0.000361744 0.000088301 -0.000012964 -0.000093373 0.000110807 -0.000099237 0.000075881 0.000056044 -0.000068579 0.000130098 0.000000165 0.000122521 -0.000012235 -0.000239613 0.000006275 0.000227257 0.000143012 -0.000151109 -0.000429580 -0.000040568 -0.000072820 -0.000047258 -0.000143913 -0.000584596 -0.000006986 0.000043958 0.000014354 -0.000019441 -0.000012632 -0.000046771 0.000007050 -0.000028053 0.000012317 0.000051806 0.000059291 -0.000012092 -0.000017943 0.000022690 0.000073289 0.000021949 0.000246477 0.000044596 -0.000036926 0.000031254 -0.000268115 0.000181672 0.000004984 -0.000018076 0.000039764 -0.000076124 -0.000155295 0.000048169 0.000042576 -0.000051731 0.000033159 -0.000005624 0.000002848 0.000001985 -0.000002396 0.000002557 -0.000008642 0.000000466 0.000001001 -0.000002082 0.000003112 -0.000008336 0.000003129 0.000001832 -0.000004822 0.000004352 -0.000000927 0.000002717 0.000000223 -0.000004729 0.000000121 0.000000932 0.000001482 0.000000584 -0.000000634 -0.000000633 -0.000015662 0.000009069 0.000003885 -0.000014399 0.000007505 0.000000373 -0.000003206 -0.000001077 0.000003055 0.000001010 0.000003840 0.000001174 -0.000000253 0.000000223 -0.000001872 0.000002564 -0.000003253 -0.000000954 0.000004005 -0.000001306 0.000000218 0.000000672 -0.000000355 -0.000001452 0.000000014 -0.000001676 -0.000001922 -0.000000538 0.000000585 0.000002121 0.000010717 -0.000009134 -0.000001738 0.000016144 -0.000004457 0.000013753 -0.000003826 -0.000007698 -0.000007062 -0.000007582 0.000013723 -0.000004497 -0.000001974 0.000007713 -0.000004497 0.000016780 -0.000011547 -0.000003073 0.000020724 -0.000008486 0.000000642 -0.000000228 0.000000488 0.000000634 -0.000000218 -0.000006230 0.000007539 0.000001204 -0.000010803 0.000003539 -0.000004956 0.000003241 0.000001027 -0.000005128 0.000003658 -0.000010258 0.000011854 0.000002257 -0.000017175 0.000002705 0.000001833 -0.000004038 -0.000000436 0.000004960 -0.000001176 -0.000011126 0.000010426 0.000001040 -0.000019166 0.000004195 -0.000028081 0.000001654 0.000006236 -0.000001436 0.000011205 -0.000027400 0.000008155 0.000003976 -0.000025447 0.000018095 -0.000002772 0.000023051 -0.000007180 -0.000050234 0.000000621 -0.000002461 -0.000003114 -0.000002867 0.000000265 0.000001513 0.000010906 -0.000008358 -0.000005255 0.000009287 -0.000007405 0.000006154 -0.000005765 -0.000006120 -0.000001855 -0.000010632 0.000029260 0.000000480 -0.000009465 -0.000011744 -0.000014809 0.000010741 0.000001843 -0.000002636 -0.000005394 -0.000008282 0.000001548 -0.000006945 0.000000789 0.000006985 0.000001355 -0.000091238 0.000025479 0.000016468 -0.000073591 0.000065926 0.000079902 -0.000064534 0.000017471 0.000225358 -0.000040996 0.000210250 -0.000160090 -0.000003708 0.000386244 -0.000114516 0.000160435 -0.000055697 -0.000013603 0.000185258 -0.000101781 -0.000031137 0.000018540 -0.000000965 -0.000067144 0.000016894 -0.000161294 0.000084761 0.000013878 -0.000207175 0.000082382 -0.000014585 0.000017218 -0.000004654 -0.000048890 0.000007065 0.000038153 0.000012007 -0.000019735 -0.000055393 -0.000011474 -0.000008078 0.000012565 -0.000002583 -0.000032172 0.000009386 0.562905428 0.026270541 0.546718402 -0.022101277 0.078870136 0.306462504 -0.051590563 0.006402184 0.021008088 0.049270261 0.006339042 -0.075165660 -0.083246618 -0.009454260 0.076483597 -0.060089845 0.004647451 -0.004645395 -0.029401227 0.000009882 -0.302007192 0.015156170 0.000695580 0.000021667 -0.000287161 0.013621952 -0.049514423 0.001389143 0.010508037 -0.001012945 0.006537809 0.017677374 0.000836406 0.013146147 0.026865714 -0.089935508 -0.096155122 0.000061915 0.000800696 0.004320016 -0.094904563 -0.268556546 -0.000693871 -0.003085968 -0.007093630 0.000143743 0.000242923 0.000080300 0.000032014 -0.000009698 -0.000145565 -0.000149192 -0.000040964 -0.000084873 -0.000005600 -0.000103147 -0.000196521 -0.000014115 0.000024915 0.000059594 -0.000055932 0.000057466 -0.000003167 -0.000023118 0.000033011 -0.000158765 -0.000076992 0.000063607 0.000005584 0.000072841 -0.000092522 -0.000011954 0.000014082 0.000059455 0.000123233 0.000022903 0.000022271 0.000036636 0.000022193 0.000002894 0.000020283 0.000000239 -0.000043102 -0.000031170 -0.000023883 0.000022362 0.000013333 -0.000023352 -0.000017742 -0.000018022 0.000053739 0.000215958 0.000115908 -0.000038196 -0.000047104 0.000014963 0.000063892 0.000027035 -0.000044810 -0.000030785 -0.000019513 -0.000063458 0.000007791 0.000032833 0.000066716 -0.000000545 -0.000002735 0.000000240 0.000000405 0.000001394 -0.000001140 -0.000002850 -0.000001218 0.000001415 0.000001674 -0.000001928 -0.000004571 -0.000000433 0.000000963 0.000002559 -0.000001460 -0.000001726 0.000001003 0.000000631 0.000001797 -0.000000076 -0.000000130 0.000000962 0.000000003 0.000000270 -0.000004954 -0.000010782 0.000000369 0.000003198 0.000007467 0.000000446 0.000000432 -0.000001910 -0.000000075 -0.000000926 -0.000000774 0.000000705 0.000001105 -0.000000903 -0.000000421 0.000001819 0.000002894 -0.000000868 -0.000000723 -0.000001832 -0.000000060 -0.000000033 0.000000553 0.000000139 -0.000000014 0.000000374 -0.000000769 -0.000001597 0.000000471 -0.000000048 0.000004447 0.000007746 -0.000002277 -0.000002942 -0.000006103 -0.000002205 0.000005059 0.000001835 0.000000486 -0.000000527 0.000004619 0.000006470 0.000000321 -0.000002370 -0.000004738 0.000006677 0.000012448 -0.000001363 -0.000003844 -0.000008263 0.000000039 0.000000288 -0.000000161 -0.000000716 -0.000000144 -0.000005718 -0.000007300 0.000001334 0.000001385 0.000004490 -0.000003254 -0.000005352 -0.000000311 0.000000892 0.000002534 -0.000003794 -0.000006246 0.000004873 0.000002826 0.000005244 0.000001523 0.000002676 -0.000001528 -0.000000875 -0.000001541 -0.000004812 -0.000007344 0.000003469 0.000003035 0.000006034 -0.000001588 -0.000006484 -0.000004894 0.000000369 0.000002973 -0.000020295 -0.000028608 -0.000005313 0.000003336 0.000014813 -0.000008829 -0.000006193 0.000012663 0.000006022 0.000009899 0.000001993 0.000000745 -0.000002414 0.000001418 -0.000000289 0.000006925 0.000014574 -0.000001862 -0.000003585 -0.000007037 0.000005780 0.000018428 0.000002013 -0.000000749 -0.000004083 -0.000002239 0.000009411 0.000007748 -0.000000216 -0.000002205 0.000002447 0.000009233 0.000005323 -0.000001233 -0.000002205 0.000000991 -0.000000915 -0.000003226 -0.000000304 -0.000000458 -0.000026039 -0.000070736 -0.000024268 0.000009417 0.000041165 0.000103956 0.000094953 -0.000006825 -0.000016389 -0.000073044 0.000115634 0.000167886 -0.000016458 -0.000043441 -0.000126847 0.000065424 0.000116881 0.000025562 -0.000017348 -0.000076407 -0.000033713 -0.000032775 -0.000001327 0.000001139 0.000025098 -0.000065370 -0.000107453 0.000001984 0.000029859 0.000079137 -0.000021885 -0.000016525 0.000002012 0.000000523 0.000012793 -0.000025667 -0.000007193 0.000008060 -0.000000831 0.000008276 0.000000440 -0.000008458 0.000000189 0.000003920 0.000007577 0.063100315 0.061994811 0.324367609 -0.001506366 -0.017010383 0.049416319 -0.000209520 -0.002426277 -0.007676175 0.048776387 0.003590495 -0.009149338 -0.028382817 -0.009264362 0.091785424 -0.000418809 0.001545125 0.003667990 -0.015580428 0.101898315 0.000011525 -0.000084856 0.000058968 0.000093791 -0.000072582 0.000009756 0.000175409 -0.000181638 -0.000087320 0.000123924 -0.000008750 0.000003737 0.000080622 -0.000050743 -0.000009302 0.000024689 0.000046323 -0.000036553 -0.000021382 0.000039262 -0.000011498 0.000103887 -0.000045022 -0.000018929 0.000031107 0.000053685 -0.000026493 0.000176978 -0.000003581 -0.000100767 -0.000022930 -0.000006009 -0.000005453 0.000025815 -0.000003438 0.000012276 0.000001161 -0.000028441 -0.000026247 0.000020834 0.000009784 -0.000002098 -0.000008060 -0.000010000 0.000013262 0.000010062 0.000055723 -0.000157310 0.000082423 0.000057272 0.000005564 0.000061940 -0.000111693 0.000013080 0.000050639 0.000000283 -0.000036933 0.000100389 -0.000003039 -0.000053142 0.000000043 -0.000001128 0.000003239 -0.000000926 -0.000001595 0.000000019 -0.000002272 0.000004647 -0.000000727 -0.000002218 0.000000097 -0.000001038 0.000005083 -0.000001450 -0.000002532 -0.000000064 0.000000775 0.000001829 -0.000000275 -0.000001330 -0.000000080 0.000000351 0.000000050 0.000000026 -0.000000215 -0.000000352 -0.000001019 0.000012078 -0.000002937 -0.000007053 -0.000000129 -0.000000168 -0.000000957 -0.000000054 0.000000759 0.000000353 0.000002516 -0.000001825 -0.000000053 0.000000473 0.000000140 -0.000000375 -0.000002554 0.000000749 0.000001529 -0.000000265 -0.000000157 -0.000000057 0.000000056 0.000000125 -0.000000440 -0.000001139 0.000000575 -0.000000224 0.000000066 0.000000700 0.000000571 -0.000009115 0.000001702 0.000005260 -0.000000640 0.000003406 -0.000006713 0.000002639 0.000003531 -0.000000269 -0.000000787 -0.000008788 0.000001894 0.000005207 0.000000726 0.000001086 -0.000013102 0.000003113 0.000007129 0.000000614 0.000000394 -0.000000595 -0.000000067 0.000000323 -0.000000047 0.000002759 0.000006002 -0.000002322 -0.000003915 -0.000000104 0.000000259 0.000003797 -0.000001634 -0.000001994 -0.000001102 -0.000001164 0.000008409 -0.000001216 -0.000004780 0.000000680 -0.000000416 -0.000002289 0.000000699 0.000001478 -0.000001025 -0.000000735 0.000008776 -0.000001471 -0.000004831 0.000002325 -0.000006014 0.000011662 -0.000003229 -0.000005795 0.000003805 0.000002349 0.000021140 -0.000008019 -0.000010539 -0.000005390 0.000000849 0.000007954 0.000000658 -0.000004118 -0.000001248 -0.000002299 0.000001645 0.000000108 -0.000001397 0.000000888 -0.000000757 -0.000011024 0.000002928 0.000005343 0.000000147 -0.000000357 -0.000008117 0.000005226 0.000004072 -0.000001002 0.000006248 -0.000011936 0.000004149 0.000006187 -0.000000382 0.000002011 -0.000007671 0.000003021 0.000004249 0.000000855 -0.000001580 0.000001091 -0.000000089 -0.000001213 0.000000649 -0.000005615 0.000056116 -0.000021998 -0.000028035 -0.000018178 -0.000025495 -0.000076947 0.000025001 0.000040909 0.000002006 -0.000003587 -0.000161113 0.000045065 0.000085033 -0.000008525 0.000002954 -0.000104046 0.000037142 0.000052377 0.000010418 0.000011827 0.000027097 -0.000010717 -0.000015324 -0.000000099 -0.000006271 0.000115202 -0.000029515 -0.000060726 0.000004224 0.000007763 0.000009185 -0.000005594 -0.000004068 0.000003165 0.000015637 -0.000009151 -0.000000861 0.000004607 -0.000003719 -0.000003660 0.000008599 -0.000003138 -0.000004544 0.289631968 0.000114984 0.385114903 -0.000033422 -0.284503094 0.390379252 -0.000189196 0.084373074 -0.135516898 0.100837705 -0.000073996 0.011446952 0.029489132 -0.016617693 0.591752503 -0.000132782 0.035471695 -0.056912191 0.035722116 -0.089029139 -0.000252000 -0.005093886 0.021908592 0.008396774 -0.084665770 0.000022435 0.001337668 -0.000819072 0.001718909 -0.233844049 0.000030162 -0.002197068 -0.002767196 0.005997144 0.121070643 0.000029675 0.000655182 0.007911011 0.002356035 -0.052259299 0.000218212 -0.084163036 0.031261598 0.007813507 -0.029918870 0.000109968 0.035843816 0.014814363 -0.007521648 -0.042497367 -0.000137457 0.003627528 -0.004541554 0.024415064 0.035152964 -0.000004041 -0.000136265 -0.000065237 -0.000136080 -0.000057352 -0.000005250 0.000265294 -0.000499314 0.000533371 -0.000176733 -0.000007344 0.000016129 -0.000171326 0.000028336 0.000001324 -0.000004810 0.000124568 -0.000045832 0.000000753 0.000030662 -0.000000884 -0.000075838 0.000168716 -0.000214787 0.000110329 -0.000022378 -0.000058941 -0.000325437 -0.000042980 -0.000191988 0.000002053 -0.000106538 -0.000090221 0.000118328 -0.000072087 0.000000982 -0.000082579 0.000301527 -0.000271892 0.000172837 0.000005488 0.000241917 -0.000260218 0.000250273 -0.000027763 0.000000462 0.000038916 -0.000082495 0.000034092 -0.000025598 -0.000000062 -0.000122286 -0.000161940 0.000106169 -0.000122134 0.000016515 -0.000356538 0.000567882 -0.000248837 0.000129855 0.000005705 0.000623685 -0.000206873 0.000702110 -0.001224358 0.000014981 -0.001167318 0.000756408 -0.000830178 0.000496072 0.000023334 0.000280744 0.000446982 0.000054702 0.000215490 0.000000806 -0.000213576 0.000207748 -0.000236288 0.000070235 -0.000013791 -0.000301235 0.000098809 -0.000310066 -0.000042323 -0.000007728 -0.000776301 0.000053692 -0.000574155 0.000033852 -0.000013409 0.000422862 -0.000495433 0.000222939 -0.000334522 0.000004676 0.000116846 0.000038385 0.000101081 0.000017390 -0.000014823 0.000449286 -0.000672102 0.000354764 -0.000572989 -0.000011198 0.001523913 0.000605143 0.001180547 -0.000229693 -0.000041100 -0.003777016 -0.003288161 -0.003171531 -0.001704592 -0.000018235 -0.000621575 0.000279913 0.000436447 -0.004138486 -0.000000581 -0.000554163 0.000483864 0.002038076 -0.000632877 0.000020728 0.003006671 -0.001109150 0.002561539 -0.000217942 0.000016033 0.004626527 -0.000780829 0.002986649 -0.001743497 0.000011685 0.000294367 -0.000143526 -0.000295439 -0.000343082 0.000010670 0.000592974 0.000060475 -0.000576106 -0.000349590 -0.000000108 -0.000101368 0.000096612 0.000040232 0.000362554 -0.000110899 -0.004363821 -0.003228243 -0.001815821 -0.011344834 0.000174698 -0.002625993 0.007423317 -0.002210977 0.003717656 0.000320727 -0.013487055 0.017281407 -0.012518377 0.008613876 0.000200531 -0.001147141 0.007904273 -0.003665339 0.006102774 -0.000062477 0.000795827 -0.001579011 0.000513845 0.002696685 -0.000209824 0.005124452 -0.009296019 0.005878484 -0.000063950 -0.000029081 0.001947742 -0.001928893 0.001592675 -0.000997502 -0.000010306 0.001363739 -0.001422234 0.000808688 -0.002258091 -0.000018828 0.001997490 -0.001648082 0.002137911 -0.001191943 0.510862257 -0.275445834 0.329628218 0.131194215 -0.052926447 0.247405026 -0.118499310 0.055444732 -0.135293246 0.129567367 0.060279432 -0.050907066 0.055661510 -0.057187496 0.050836853 -0.028718584 0.014705622 0.000591008 0.000064009 0.001547018 -0.008537988 0.019448399 -0.001448831 0.000237079 -0.000245193 0.018192904 -0.002797497 0.000294684 -0.001981334 -0.001618793 0.000181067 0.000088320 -0.000028254 -0.000024974 -0.000037765 -0.000562043 -0.000134456 -0.000009560 0.000004570 0.000025894 -0.000273255 -0.000111398 -0.000005354 0.000037484 0.000044565 -0.000169326 -0.000123464 0.000020868 0.000028025 0.000032758 0.000277246 0.000087634 0.000000943 -0.000006974 -0.000012105 -0.000476527 -0.000299055 -0.000010162 0.000041827 0.000014728 -0.000193925 -0.000020936 0.000000233 0.000010892 0.000012387 0.000449551 0.000091327 -0.000008996 -0.000018707 -0.000025101 -0.000248661 0.000007717 0.000003602 -0.000011025 0.000018179 -0.000174154 -0.000085969 0.000014118 0.000020553 0.000022536 -0.000375846 -0.000062835 0.000009729 0.000029414 0.000024101 0.001016429 0.000471830 -0.000050671 -0.000094037 -0.000117459 -0.000937855 -0.000744431 0.000026590 -0.000084158 -0.000231424 0.000698586 0.000485195 -0.000020514 -0.000006697 -0.000057249 0.001409436 0.000704316 -0.000037577 -0.000168299 -0.000129367 0.000342060 0.000085838 -0.000024937 -0.000023214 -0.000041286 0.000057461 -0.000155309 -0.000021475 0.000011279 -0.000034215 0.000292681 -0.000030332 -0.000036965 0.000001423 -0.000064444 -0.000687628 -0.000362752 0.000018250 0.000016585 -0.000005546 0.000049036 -0.000003185 -0.000000220 -0.000006202 0.000005770 -0.001059596 -0.000568077 0.000022561 0.000033087 -0.000015956 -0.002377888 -0.002283419 -0.000071620 0.000068006 0.000210129 0.001033006 -0.002011859 -0.000510761 -0.000245114 -0.000779058 -0.002879142 -0.005176247 0.000130979 -0.000146279 -0.000437144 -0.001702297 -0.000511365 0.000003852 -0.000042190 0.000147581 -0.003388768 -0.000362575 -0.000032714 -0.000051407 0.000144472 -0.003880007 -0.001221430 0.000219273 -0.000013753 0.000420647 -0.000727878 -0.000725180 0.000184269 0.000113466 0.000114867 -0.000191527 -0.000119938 0.000133742 0.000040265 -0.000003234 0.000027178 0.000202793 0.000036922 0.000036083 0.000019392 -0.004917673 0.001231484 -0.001628958 -0.002077744 -0.004507967 0.009994874 0.013051017 0.001361594 -0.000955193 0.001174793 0.043855802 0.013644865 -0.000822708 -0.004808442 -0.003611665 0.019481445 0.005317291 0.000929892 -0.000998847 0.001148590 -0.003027095 -0.004679001 -0.000207746 0.000546296 0.000273275 -0.021085280 -0.009205315 0.000665296 0.002351866 0.001855107 -0.007812183 -0.002872789 -0.000144763 0.000064307 0.000285160 -0.010351021 -0.004900102 -0.000357266 0.000386345 0.000190944 -0.010029851 -0.003317906 0.000173010 0.000034345 0.000557624 0.366656247 0.032246253 0.348349858 -0.099725950 -0.176282626 0.211083212 -0.000061405 -0.000013952 0.000042903 0.558605064 -0.000247744 -0.000263920 0.000306974 -0.021811825 0.569527609 -0.000211258 -0.000124606 0.000135774 0.044082750 0.021621357 0.000068088 -0.000000393 -0.000094658 -0.080960376 -0.021267726 0.000165794 0.000098026 -0.000167832 -0.020879979 -0.065174591 -0.000358249 -0.000193992 0.000204556 -0.081047937 -0.056287457 -0.000280575 -0.000110426 0.000253859 -0.049853139 -0.019125999 0.000293692 0.000162869 -0.000309414 -0.020234863 -0.311790126 -0.000002497 -0.000026822 0.000068368 -0.002595977 -0.018112918 -0.000075799 -0.000025572 0.000065107 -0.279352560 0.100127954 -0.000408856 -0.000118076 0.000359554 0.100602615 -0.093422795 0.000324835 0.000288725 -0.000185601 -0.035729207 0.013212435 -0.000247495 -0.000165959 0.000372302 -0.137126733 -0.029036459 0.000150740 0.000364652 0.000080680 -0.028065118 -0.097922859 0.000713111 0.000356226 -0.000556619 0.057090721 0.033008572 0.000110106 0.000105042 -0.000069077 -0.001828626 -0.022129677 -0.000134270 0.000002558 0.000034198 -0.000719394 -0.010013826 -0.000264213 -0.000010052 0.000208195 0.002227032 0.025108230 -0.000165662 -0.000195480 0.000112569 -0.019279460 0.008083181 0.000062824 0.000023967 -0.000019522 -0.012771531 0.005067952 -0.000465072 -0.000329730 0.000343038 0.024097887 -0.009896176 0.000268846 0.000159918 0.000386657 0.009198288 0.006043800 -0.001316314 -0.000296676 0.000163790 0.004494852 0.002560234 -0.001231061 -0.000237541 0.001429711 -0.003818365 -0.005270503 -0.000118330 0.000104338 0.000711480 0.000423315 0.000828384 0.001075409 0.000057186 0.000354584 0.000364444 0.001285720 0.000924274 -0.000303283 0.000049471 -0.000213785 -0.001365499 0.000279955 0.000030015 -0.000182657 0.000038866 -0.000693518 0.000346163 0.000062538 -0.000263314 -0.000626330 -0.000085636 0.000007161 0.000014561 0.000005414 -0.003421339 -0.002801183 -0.006794921 -0.001119944 0.004286794 0.001842075 -0.000224990 0.006005957 0.002147800 -0.004287088 -0.000020642 -0.000731386 0.016173423 0.006413440 -0.011224257 -0.001589796 0.001503635 0.010098881 0.002443694 -0.007376795 -0.000578758 -0.000161361 0.000489892 0.000664129 0.000050216 0.000178716 0.001038907 -0.007728272 -0.002596541 0.006019841 0.000922053 -0.000210958 -0.001210991 -0.000487191 0.000849024 -0.000347597 0.000052887 -0.001387861 -0.000360679 0.000881469 -0.000207812 0.000216631 -0.001724801 -0.000547643 0.001294098 0.000013561 -0.000182744 0.536132026 -0.082908865 0.081389382 -0.057059877 0.025035844 0.062375617 -0.260812766 0.086571865 0.060855969 0.283145295 -0.002182685 -0.001629111 -0.011050510 0.000323555 0.049850728 -0.015697915 0.000313553 -0.003856318 0.000346648 0.025177885 -0.049868647 -0.000738186 -0.028679773 0.000067733 -0.001532534 -0.031058069 -0.005191292 0.002252502 0.000185785 0.005274472 0.011533695 -0.010224234 0.003653637 -0.000503212 0.028738783 -0.051886404 -0.024832387 0.012544914 -0.001736021 0.003268565 0.058699015 0.008021070 0.005128991 -0.010322806 -0.002178563 0.031044204 0.006451953 0.002147876 -0.007019066 -0.022551176 -0.144524253 0.020804002 0.011339589 -0.019013028 -0.000748962 -0.001350741 0.000698305 0.000622284 -0.000224292 -0.002206548 -0.000941090 0.000194137 0.000370302 0.000656144 -0.001463506 0.000911542 -0.000793920 -0.000101946 0.000582556 0.003562156 -0.002705136 0.001009987 0.000180711 0.000378905 0.000414362 -0.001320139 0.000631761 0.000146868 -0.000531841 -0.000100703 0.002666571 -0.000406271 -0.000629776 0.000763980 -0.000890643 0.019841778 -0.002467204 -0.001631608 0.004735167 0.000533331 0.008309408 -0.002157710 -0.000373807 0.002317559 0.000389728 -0.026800440 0.002566432 0.000815811 -0.002019383 -0.001190484 0.000851948 -0.000110017 0.000008971 0.000162802 0.000214498 0.001028812 -0.000007342 0.000298754 0.000364346 0.000363222 0.001791411 -0.000171928 0.000222225 0.000637532 0.000244259 -0.001850273 0.000265345 0.000133590 -0.000581669 -0.000096241 -0.000644973 0.000134219 0.000450787 -0.000059283 0.000091421 -0.004692403 0.001112604 0.000520004 -0.001541821 -0.000264693 -0.000668061 -0.001855396 0.000144476 0.000663450 -0.000260637 0.000882469 0.000482354 -0.000041397 -0.000247196 0.000247911 0.001350349 0.001286117 -0.000697717 0.001125247 0.000294580 -0.001068278 0.000564289 0.000115676 -0.000535807 0.000066354 0.001094518 0.000442391 0.000003808 0.000227247 -0.000485099 -0.004428151 -0.002242511 0.000810829 -0.000609391 -0.000587195 0.000370376 0.000242087 -0.000112852 -0.000085265 -0.000006738 0.000248225 0.000057641 -0.000064638 0.000204846 0.000049752 0.000142169 -0.000112923 -0.000031456 -0.000138032 -0.000009681 0.333807037 0.016225732 0.050597093 -0.002977616 0.000941087 0.299355468 -0.010001690 0.004407679 -0.105080181 0.094753954 -0.001309867 -0.000246950 0.031335510 -0.015486673 0.051949337 -0.000350283 0.001227205 -0.017950153 -0.012269224 0.023476743 -0.010765700 0.024807843 0.007957261 0.005238831 -0.010664434 -0.000984266 0.000731810 -0.001944437 -0.001804906 0.003816562 -0.001909181 0.003458090 0.000588312 -0.000221325 -0.000844373 0.000641980 0.002059010 -0.000076849 0.000528314 0.000028371 0.001724762 -0.003214814 -0.000520464 -0.000740021 0.000728360 -0.000402807 -0.000433519 -0.001400494 -0.002097909 0.004056306 0.000754531 -0.000658416 -0.001777129 0.000063391 0.002170410 0.000001712 0.000730438 0.003137599 0.002278104 -0.003524283 0.000503242 -0.000117946 0.000563253 0.000845001 -0.000618548 0.001023372 0.001493133 -0.000390409 0.000122157 -0.000109034 -0.000784921 0.001466309 -0.000633519 -0.000100072 0.000864830 0.000133873 -0.000102339 0.000111193 0.000032096 -0.000087024 0.000058645 -0.000706870 -0.000057437 -0.000090130 -0.000026823 0.000758102 -0.000343454 0.000203097 0.000053505 0.000081953 0.000059405 -0.000017018 0.000025057 -0.000046236 -0.000325901 0.000318999 -0.000252987 -0.000064912 -0.000078128 0.000047066 -0.000011883 0.000263369 -0.000137322 -0.000112112 0.000174601 0.000044249 0.000001430 -0.000421745 -0.000950778 0.004317035 -0.000295541 0.000291369 0.000259430 0.000832486 -0.001659617 -0.000707886 0.000122633 0.001447625 0.000785970 -0.004137405 0.000052073 0.000139806 -0.000950233 0.000879012 -0.003134659 0.000436789 -0.000347204 0.000182606 -0.001327912 0.000992414 0.000771109 -0.000065571 -0.002623256 -0.000196209 0.003194777 -0.000046896 -0.000016266 0.000136745 -0.000069422 -0.000453394 -0.000031147 -0.000077633 0.000174540 -0.000088971 -0.000109159 -0.000046847 0.000076488 0.000109883 0.000044720 0.000392931 0.553723972 -0.024041350 0.579815486 0.006703374 -0.001457535 0.470842222 -0.052611213 -0.018240800 -0.001481254 0.052203560 -0.020599003 -0.297234677 -0.017920112 0.024762375 0.320825000 -0.001815037 -0.018795802 -0.049676049 0.001154895 0.020748652 -0.257735527 0.089489185 -0.034896343 0.003881756 -0.001146879 0.090895691 -0.090771809 0.014827655 0.028682824 -0.010891038 -0.035348626 0.014860690 -0.051653945 0.002682170 -0.000819631 -0.093966571 -0.007443134 -0.026408355 -0.001382308 -0.001711216 -0.009694672 -0.087593078 -0.032470617 -0.010264828 -0.005938859 -0.034277763 -0.023804021 -0.176050229 -0.001266603 -0.001483750 -0.001370018 -0.008641796 -0.000618618 0.000126490 0.000097078 -0.001616305 -0.005187564 -0.001159859 -0.000655599 0.001050159 -0.006316955 -0.031001701 -0.004303873 -0.002002601 -0.001503044 0.008099925 0.002582889 -0.009475553 0.000093368 0.000160060 0.007007760 0.000713687 -0.005824506 0.000444789 0.000140372 0.022566638 0.007173257 -0.018576230 0.000012958 -0.000490038 -0.008592150 0.001520055 -0.014686779 0.000830565 0.002502315 -0.007804159 0.004701270 0.002342710 -0.001906647 -0.000411452 -0.025636872 0.015293601 -0.012583051 -0.000806585 -0.000164398 0.002668877 -0.000283566 0.005134073 -0.000300463 -0.001261208 0.000027031 -0.000406155 -0.000583079 0.000751278 0.000750168 0.002716468 -0.000856079 -0.001273329 0.000660540 0.000634181 -0.000487004 0.001302375 0.000500640 -0.000007025 -0.000517781 0.002102480 -0.002602629 -0.000386347 -0.000073584 0.000179202 -0.000146639 0.000468606 0.000784254 -0.000000834 -0.000508381 0.057671093 0.000723731 0.278942473 0.004889183 -0.096828316 0.090659048 -0.000155227 0.035819259 -0.016835314 0.062607983 -0.004244825 -0.008526715 -0.009168854 -0.029799903 0.534136790 -0.031467354 0.004113802 0.003915792 0.013185936 0.026208546 -0.002875412 -0.001097882 -0.002403180 -0.009313044 -0.065683081 -0.001552363 -0.000166061 -0.000104754 0.000453311 -0.060121023 -0.000319333 -0.000118570 0.000264691 -0.000155281 -0.053364326 -0.005425911 0.000132999 0.000534129 0.000937203 -0.000068979 0.000638377 0.001363879 0.000198377 0.000038019 -0.199372579 0.000391933 0.000053441 0.000443699 0.000731891 -0.035877918 0.000684012 -0.000128076 0.000641822 0.000599732 0.127557308 0.001768056 0.001176553 0.001012827 0.001386000 -0.141415592 -0.002111397 -0.001145058 -0.000322890 -0.003740179 0.054117369 0.000843421 -0.000635873 -0.002103956 -0.003387861 -0.028836599 -0.000902578 0.000687575 -0.000495827 -0.000621589 -0.041305350 0.000586063 -0.000189324 0.000258278 0.000359135 0.023423186 0.000611621 -0.000413913 0.000870883 0.000908301 0.003098873 -0.000001072 -0.000252948 -0.000243511 -0.000348920 0.003939914 0.000288977 0.000317178 0.000289505 0.001035676 -0.001058949 -0.000300590 -0.000273844 -0.000186763 -0.000341231 0.005061400 0.555094514 -0.017971020 0.505567998 -0.048664329 0.001237391 0.064378784 -0.298251776 -0.010799310 0.055814233 0.316450740 -0.008239869 -0.042818728 0.007139733 0.010253995 0.054906331 -0.032211863 0.124037748 -0.004007917 0.000314393 0.003270391 -0.055702370 0.029872250 -0.023191284 -0.001909462 0.019529043 0.027700072 -0.153494676 -0.001708308 -0.000534040 0.001162867 0.034046743 -0.021715052 0.009053890 0.000059636 0.003062346 -0.120026531 0.035582624 0.026985112 -0.015688053 0.011674030 0.040967379 -0.100321163 0.000821079 0.004698488 0.000433297 0.019015341 0.020811677 -0.000936912 -0.000937956 0.001150945 0.010923998 -0.015691676 -0.003453518 0.002675667 -0.001243552 -0.010016816 0.016694816 -0.000531411 -0.000154673 -0.000543026 0.018752392 -0.013308779 -0.002713605 0.001683209 -0.002659295 -0.001089135 0.015162794 0.001001763 -0.001189770 0.000240274 0.012492454 -0.001351349 -0.002507036 -0.000155084 -0.001481375 0.215169623 0.032996452 0.055317386 -0.133634336 -0.031142554 0.170085378 -0.018034797 0.015500238 -0.010252027 0.777559772 -0.009950977 0.002217049 -0.001862754 -0.097049348 0.368603737 0.024065894 -0.013794784 0.006725553 -0.265205780 -0.174282283 -0.005019876 0.003577939 -0.001149883 -0.544171055 0.045940617 0.006328219 -0.001458325 0.001817819 0.060887175 -0.091718670 -0.004031625 0.002263483 0.000309521 0.289908622 -0.000234011 0.000815954 -0.000364325 -0.000272440 -0.057641429 -0.009056237 0.000593772 -0.000044831 -0.000281783 -0.008806385 -0.142953227 -0.000825155 -0.000250516 0.000475798 0.011659325 0.114594192 0.517981316 0.268827273 0.594571515 -0.006965884 -0.071796816 0.063960846 -0.252031281 -0.329734824 0.015955152 0.270862903 0.022856307 -0.011871430 -0.019065820 0.037904089 0.068729251 0.116145654 -0.004924375 0.018014034 0.001332721 0.012201757 -0.168616333 0.030425458 0.010637942 -0.019021981 -0.041337414 0.136246245 -0.127558415 0.191935247</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000096688 0.000037225 0.000040372 0.000062265 0.000106317 0.000131123 0.000222124 0.000276817 0.000387004 0.000535143 0.000625464 0.000759120 0.000830151 0.000971060 0.001306047 0.001423225 0.001983356 0.002214496 0.002872426 0.003020446 0.003183119 0.003417799 0.003761969 0.004905177 0.005575242 0.006397945 0.007361927 0.008015943 0.010447319 0.011160827 0.012253760 0.017195681 0.019626842 0.021691564 0.023036215 0.023659172 0.023896818 0.024594332 0.025814386 0.028218732 0.029841014 0.030182303 0.030211885 0.032072361 0.033038969 0.034478796 0.034604418 0.036273689 0.038448443 0.039864202 0.040911243 0.045250102 0.045367892 0.046796008 0.047463576 0.048099123 0.048763241 0.049167865 0.049953729 0.052931415 0.053811249 0.055109090 0.057109777 0.060027694 0.061983969 0.064065025 0.064860017 0.065433345 0.066379742 0.067054456 0.068573941 0.070796904 0.071586082 0.072568958 0.072655197 0.073140533 0.075516713 0.076137904 0.076834166 0.077011859 0.077300331 0.078068565 0.080624550 0.081389540 0.081726303 0.082443359 0.082981672 0.083458903 0.083552763 0.083565166 0.083769429 0.084383156 0.084466646 0.085335693 0.085712256 0.086538288 0.087832919 0.112092180 0.119800470 0.322008287 0.327247862 0.335968922 0.341446671 0.342094227 0.342666767 0.342972525 0.345390234 0.345405829 0.345647672 0.347591473 0.349165944 0.350576804 0.353022991 0.354481842 0.355949613 0.359945229 0.360558266 0.363144931 0.363531468 0.364542788 0.364694350 0.365731144 0.368743387 0.372447411 0.376976490 0.381889557</array>
            </module>
         </module>
      </module>
   </module>
</module>
