<?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="-4.09361623" y3="-1.71016819" z3="10.49367695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.58254866" y3="-0.8183577" z3="10.085195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.95485014" y3="-1.71829224" z3="11.59088962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.17779737" y3="-1.60948558" z3="10.29236786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.53756541" y3="-2.98541804" z3="9.86724092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02366171" y3="-3.88100433" z3="10.30506517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.45826857" y3="-3.07250074" z3="10.0782115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72207969" y3="-3.05496141" z3="8.35175682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80116585" y3="-3.06186923" z3="8.10822901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26478421" y3="-3.98522396" z3="7.97017305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.83148047" y3="-1.9273325" z3="7.46398885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="0.00028152" y3="-0.65008744" z3="6.31824943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62914607" y3="-1.39339399" z3="6.84223545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.46651161" y3="0.34322101" z3="6.50008776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.08033494" y3="-0.92875227" z3="4.80496798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.13589979" y3="-0.84691455" z3="4.46665828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.47906785" y3="-0.13862928" z3="4.26650081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.46506412" y3="-2.30285292" z3="4.41412503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.54723472" y3="-2.3295594" z3="4.63762963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.01285576" y3="-3.06449526" z3="5.07424968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23603317" y3="-2.69536764" z3="2.95168842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60401943" y3="-3.72752117" z3="2.7971344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.8517635" y3="-2.72449425" z3="2.74296843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.91527332" y3="-1.77194879" z3="1.94026644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99980701" y3="-1.70141683" z3="2.14204551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.50486996" y3="-0.74831631" z3="1.9874011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78507365" y3="-2.13782021" z3="0.9053464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15280942" y3="-2.894536" z3="7.81800602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.37782764" y3="-0.69712425" z3="6.92195797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.1531739" y3="-0.07364819" z3="6.46148132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.19762129" y3="-1.94498231" z3="7.66992677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.43785645" y3="1.75156904" z3="11.03181552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.23171428" y3="2.45903635" z3="10.51231007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42085333" y3="1.78423774" z3="10.52520101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57767458" y3="2.11775219" z3="12.06596217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14920364" y3="0.34054901" z3="11.00608243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49717545" y3="-0.33791595" z3="11.59668917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.13813345" y3="0.35019132" z3="11.49817213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.32809729" y3="-0.23028099" z3="9.59367359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.69536532" y3="-1.26842624" z3="9.66598993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.64521686" y3="-0.27624557" z3="9.07143811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.31379345" y3="0.60052764" z3="8.76751164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.43821036" y3="0.85836618" z3="9.21028831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.81800855" y3="1.33328058" z3="8.0775172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.0936,-1.7102,10.4937;-3.5825,-.8184,10.0852;-3.9549,-1.7183,11.5909;-5.1778,-1.6095,10.2924;-3.5376,-2.9854,9.8672;-4.0237,-3.881,10.3051;-2.4583,-3.0725,10.0782;-3.7221,-3.055,8.3518;-4.8012,-3.0619,8.1082;-3.2648,-3.9852,7.9702;-1.8315,-1.9273,7.464;.0003,-.6501,6.3182;.6291,-1.3934,6.8422;.4665,.3432,6.5001;.0803,-.9288,4.805;1.1359,-.8469,4.4667;-.4791,-.1386,4.2665;-.4651,-2.3029,4.4141;-1.5472,-2.3296,4.6376;-.0129,-3.0645,5.0742;-.236,-2.6954,2.9517;-.604,-3.7275,2.7971;.8518,-2.7245,2.743;-.9153,-1.7719,1.9403;-1.9998,-1.7014,2.142;-.5049,-.7483,1.9874;-.7851,-2.1378,.9053;-1.1528,-2.8945,7.818;-1.3778,-.6971,6.922;-2.1532,-.0736,6.4615;-3.1976,-1.945,7.6699;.4379,1.7516,11.0318;-.2317,2.459,10.5123;1.4209,1.7842,10.5252;.5777,2.1178,12.066;-.1492,.3405,11.0061;.4972,-.3379,11.5967;-1.1381,.3502,11.4982;-.3281,-.2303,9.5937;-.6954,-1.2684,9.666;.6452,-.2762,9.0714;-1.3138,.6005,8.7675;-2.4382,.8584,9.2103;-.818,1.3333,8.0775;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605708982796</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007473569624 0.000772545588 0.027884335046 0.008703911504</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.007058781 0.000105085 0.000119243 0.000183381 0.000227247 0.000377966 0.000416142 0.001055318 0.001109475 0.001565692 0.001989181 0.002627998 0.002956318 0.003213261 0.004320107 0.005246787 0.005826178 0.006655818 0.007288930 0.008083532 0.009188866 0.011767086 0.012879338 0.017581745 0.019717754 0.021052313 0.024187069 0.026922508 0.028797449 0.032879733 0.033648526 0.033778209 0.034484014 0.036518709 0.040638694 0.043539137 0.046202715 0.046671809 0.047070736 0.051169068 0.052130987 0.052270353 0.054476563 0.057380794 0.059044147 0.059856558 0.067099658 0.067831865 0.071935598 0.072478775 0.074895509 0.076397397 0.077454509 0.079638064 0.082255354 0.082940908 0.086979479 0.097895765 0.100030051 0.100960004 0.106548914 0.109244877 0.111575565 0.113284715 0.115653407 0.129654684 0.131570740 0.135333085 0.137909908 0.139382054 0.144934033 0.153773915 0.162670491 0.168837336 0.171916638 0.177410806 0.178502671 0.187572536 0.193977865 0.202169408 0.209117286 0.213748708 0.228103700 0.249386308 0.251919920 0.291161043 0.310393177 0.341394470 0.375595784 0.414728607 0.430430456 0.474798349 0.495806767 0.544220360 0.586732577 0.611794864 0.629905590 0.661714946 0.736560329 0.739941357 0.750417504 0.755691908 0.769867225 0.776840267 0.778843953 0.785005543 0.787460327 0.797306541 0.805096802 0.814366148 0.818411313 0.821762113 0.844132791 0.846377358 0.849115687 0.864055805 0.892414355 0.895979600 0.900803274 0.904776627 0.912854907 0.918927031 0.933820770 0.974051042 1.432451434 1.539056229</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="-4.09581582" y3="-1.71279982" z3="10.4976147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.58665209" y3="-0.81982348" z3="10.09064607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.95758555" y3="-1.72104867" z3="11.59489984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.17993079" y3="-1.61263651" z3="10.29585637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.53838453" y3="-2.98708641" z3="9.87050987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02391683" y3="-3.88270007" z3="10.30892233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.45894687" y3="-3.07325026" z3="10.08072825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72291526" y3="-3.05660822" z3="8.35481379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80248438" y3="-3.0676106" z3="8.11234915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26350408" y3="-3.98650214" z3="7.97450753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.83382415" y3="-1.92667941" z3="7.46267762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.00451193" y3="-0.65369638" z3="6.30871235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62285073" y3="-1.39522922" z3="6.83718624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.45983856" y3="0.34083835" z3="6.49191102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.08758876" y3="-0.93372665" z3="4.79559164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.14587872" y3="-0.85372845" z3="4.46527888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.46661592" y3="-0.14357736" z3="4.25163583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45744787" y3="-2.30745211" z3="4.40342266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53909369" y3="-2.33365697" z3="4.62905658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-0.0043421" y3="-3.06957108" z3="5.06249347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23166599" y3="-2.69944415" z3="2.94024386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60106819" y3="-3.73123752" z3="2.78627758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85545297" y3="-2.72960778" z3="2.72796597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.91359901" y3="-1.77519017" z3="1.93133602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99736157" y3="-1.70421123" z3="2.13708539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.50255566" y3="-0.75180388" z3="1.97788665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78725606" y3="-2.14028199" z3="0.89562921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15363345" y3="-2.89007483" z3="7.82966554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38607653" y3="-0.70839599" z3="6.90081096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.16174844" y3="-0.0788613" z3="6.45007883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20271863" y3="-1.94631828" z3="7.6721935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.44564118" y3="1.75148826" z3="11.04770211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.22384181" y3="2.46434939" z3="10.53523655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42640645" y3="1.78404817" z3="10.53693537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.59102513" y3="2.11163096" z3="12.08315664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14551855" y3="0.3421953" z3="11.01594909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50503558" y3="-0.3430655" z3="11.59376923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12901872" y3="0.3494712" z3="11.5190524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.33798214" y3="-0.21630059" z3="9.59976931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.71135068" y3="-1.25279776" z3="9.66440304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.630812" y3="-0.26414337" z3="9.06993007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.32084557" y3="0.62841197" z3="8.78881252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.44290787" y3="0.88535473" z3="9.22640839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83377114" y3="1.34071716" z3="8.07326045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.0958,-1.7128,10.4976;-3.5867,-.8198,10.0906;-3.9576,-1.721,11.5949;-5.1799,-1.6126,10.2959;-3.5384,-2.9871,9.8705;-4.0239,-3.8827,10.3089;-2.4589,-3.0733,10.0807;-3.7229,-3.0566,8.3548;-4.8025,-3.0676,8.1123;-3.2635,-3.9865,7.9745;-1.8338,-1.9267,7.4627;-.0045,-.6537,6.3087;.6229,-1.3952,6.8372;.4598,.3408,6.4919;.0876,-.9337,4.7956;1.1459,-.8537,4.4653;-.4666,-.1436,4.2516;-.4574,-2.3075,4.4034;-1.5391,-2.3337,4.6291;-.0043,-3.0696,5.0625;-.2317,-2.6994,2.9402;-.6011,-3.7312,2.7863;.8555,-2.7296,2.728;-.9136,-1.7752,1.9313;-1.9974,-1.7042,2.1371;-.5026,-.7518,1.9779;-.7873,-2.1403,.8956;-1.1536,-2.8901,7.8297;-1.3861,-.7084,6.9008;-2.1617,-.0789,6.4501;-3.2027,-1.9463,7.6722;.4456,1.7515,11.0477;-.2238,2.4643,10.5352;1.4264,1.784,10.5369;.591,2.1116,12.0832;-.1455,.3422,11.0159;.505,-.3431,11.5938;-1.129,.3495,11.5191;-.338,-.2163,9.5998;-.7114,-1.2528,9.6644;.6308,-.2641,9.0699;-1.3208,.6284,8.7888;-2.4429,.8854,9.2264;-.8338,1.3407,8.0733;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605248665527</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005532330725 0.000601121555 0.027194191515 0.008703780886</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.005256009 0.000102913 0.000117668 0.000181906 0.000227006 0.000369232 0.000408988 0.001039654 0.001108793 0.001566277 0.001987119 0.002626787 0.002863248 0.003195349 0.004318579 0.005195116 0.005815374 0.006646015 0.007141798 0.007974380 0.009135819 0.011766575 0.012879324 0.017495011 0.019717827 0.021048285 0.024183831 0.026910387 0.028793229 0.032878888 0.033648379 0.033761408 0.034467472 0.036518054 0.040632617 0.043465706 0.046187510 0.046671970 0.047050646 0.051155880 0.052130871 0.052270484 0.054465894 0.057371681 0.059043944 0.059852668 0.067090665 0.067818514 0.071930722 0.072477908 0.074893678 0.076381269 0.077454338 0.079636425 0.082253698 0.082940377 0.086960203 0.097895047 0.100030058 0.100958100 0.106548689 0.109245198 0.111575496 0.113284649 0.115653193 0.129654845 0.131570320 0.135333668 0.137910111 0.139384329 0.144935909 0.153780273 0.162670148 0.168837605 0.171916712 0.177414682 0.178502409 0.187572824 0.193979673 0.202169647 0.209117664 0.213766044 0.228128164 0.249393545 0.251919745 0.291161026 0.310393029 0.341395321 0.375597630 0.414728855 0.430430829 0.474799250 0.495808286 0.544222996 0.586733546 0.611795886 0.629933696 0.661719689 0.736575748 0.740008757 0.750417487 0.755691999 0.769867341 0.776840259 0.778845784 0.785005525 0.787475448 0.797307070 0.805096852 0.814366140 0.818416357 0.821762360 0.844134822 0.846377933 0.849115919 0.864055769 0.892415342 0.895979510 0.900803895 0.904776701 0.912854791 0.918927383 0.933820746 0.974051551 1.432894914 1.539059256</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="-4.09828678" y3="-1.7153776" z3="10.50176924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59090352" y3="-0.82143339" z3="10.09577976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96049828" y3="-1.72343582" z3="11.59911392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18236114" y3="-1.61595709" z3="10.29958078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.5392464" y3="-2.98874656" z3="9.87432269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.0242046" y3="-3.88449821" z3="10.31311517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.45973565" y3="-3.07378481" z3="10.08423367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72349014" y3="-3.05822958" z3="8.35838735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80340381" y3="-3.07346495" z3="8.11668946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.26148068" y3="-3.98737261" z3="7.97910203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.83661686" y3="-1.9255696" z3="7.46178378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.00991073" y3="-0.65741954" z3="6.299552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61579504" y3="-1.39659733" z3="6.83340976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.45223282" y3="0.33850024" z3="6.48352519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09352419" y3="-0.93936103" z3="4.78707792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15428434" y3="-0.86042221" z3="4.46469704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.45628866" y3="-0.14943558" z3="4.23829779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45013567" y3="-2.31293842" z3="4.39289265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53127115" y3="-2.34033805" z3="4.62055726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.00485246" y3="-3.07571926" z3="5.05001726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22683974" y3="-2.7030205" z3="2.9286969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.5964204" y3="-3.73476039" z3="2.77461867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85972538" y3="-2.73287731" z3="2.71349604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.91165983" y3="-1.77849828" z3="1.92186735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99470113" y3="-1.70708218" z3="2.13120228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.50013003" y3="-0.75523749" z3="1.96679079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78895947" y3="-2.14376491" z3="0.88574771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15424873" y3="-2.8843701" z3="7.84119291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39474104" y3="-0.71870363" z3="6.88037972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.17056753" y3="-0.08374087" z3="6.43805279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20770098" y3="-1.94722489" z3="7.67529366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45407943" y3="1.75093968" z3="11.06436799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.21473956" y3="2.4713679" z3="10.56132375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.43245074" y3="1.78391093" z3="10.54918462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.60588034" y3="2.10188625" z3="12.1020434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14254967" y3="0.34402132" z3="11.02417753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.51018724" y3="-0.34879323" z3="11.58987733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12164775" y3="0.34959338" z3="11.53564006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.34687113" y3="-0.20167307" z3="9.60455352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.72580561" y3="-1.23666703" z3="9.66144937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.61774966" y3="-0.25104988" z3="9.06783944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.32741932" y3="0.65558329" z3="8.80787861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.44728182" y3="0.91254892" z3="9.24274039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84900561" y3="1.34860079" z3="8.07005329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.0983,-1.7154,10.5018;-3.5909,-.8214,10.0958;-3.9605,-1.7234,11.5991;-5.1824,-1.616,10.2996;-3.5392,-2.9887,9.8743;-4.0242,-3.8845,10.3131;-2.4597,-3.0738,10.0842;-3.7235,-3.0582,8.3584;-4.8034,-3.0735,8.1167;-3.2615,-3.9874,7.9791;-1.8366,-1.9256,7.4618;-.0099,-.6574,6.2996;.6158,-1.3966,6.8334;.4522,.3385,6.4835;.0935,-.9394,4.7871;1.1543,-.8604,4.4647;-.4563,-.1494,4.2383;-.4501,-2.3129,4.3929;-1.5313,-2.3403,4.6206;.0049,-3.0757,5.05;-.2268,-2.703,2.9287;-.5964,-3.7348,2.7746;.8597,-2.7329,2.7135;-.9117,-1.7785,1.9219;-1.9947,-1.7071,2.1312;-.5001,-.7552,1.9668;-.789,-2.1438,.8857;-1.1542,-2.8844,7.8412;-1.3947,-.7187,6.8804;-2.1706,-.0837,6.4381;-3.2077,-1.9472,7.6753;.4541,1.7509,11.0644;-.2147,2.4714,10.5613;1.4325,1.7839,10.5492;.6059,2.1019,12.102;-.1425,.344,11.0242;.5102,-.3488,11.5899;-1.1216,.3496,11.5356;-.3469,-.2017,9.6046;-.7258,-1.2367,9.6614;.6177,-.251,9.0678;-1.3274,.6556,8.8079;-2.4473,.9125,9.2427;-.849,1.3486,8.0701;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604926694348</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004003586909 0.000427305133 0.027582563716 0.008703891335</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.004629103 0.000103128 0.000115390 0.000183739 0.000227485 0.000365412 0.000401767 0.001023754 0.001108463 0.001567208 0.001982270 0.002626544 0.002825764 0.003189957 0.004317977 0.005189392 0.005821267 0.006635974 0.007102473 0.007961863 0.009109387 0.011765843 0.012878825 0.017488930 0.019717965 0.021049890 0.024182319 0.026904117 0.028790721 0.032878567 0.033648337 0.033757648 0.034461548 0.036517321 0.040631169 0.043450452 0.046183565 0.046672263 0.047044204 0.051154148 0.052130602 0.052269916 0.054467517 0.057369350 0.059043956 0.059852659 0.067088561 0.067815143 0.071929427 0.072478228 0.074893698 0.076374210 0.077454401 0.079635896 0.082253516 0.082939068 0.086953798 0.097894465 0.100030027 0.100957433 0.106548527 0.109244994 0.111575400 0.113284748 0.115653377 0.129654976 0.131570414 0.135333561 0.137910045 0.139384965 0.144934359 0.153779065 0.162670110 0.168837587 0.171916658 0.177415659 0.178502394 0.187572672 0.193979674 0.202169465 0.209117880 0.213768037 0.228138261 0.249394200 0.251919216 0.291161265 0.310393094 0.341394668 0.375600067 0.414728855 0.430431705 0.474799387 0.495807907 0.544225042 0.586733528 0.611796858 0.629940562 0.661722493 0.736581636 0.740038320 0.750417445 0.755692371 0.769867431 0.776840867 0.778846405 0.785005594 0.787481169 0.797307672 0.805096915 0.814366345 0.818418437 0.821762783 0.844134680 0.846378326 0.849115937 0.864055564 0.892415412 0.895979949 0.900803711 0.904776642 0.912855539 0.918927185 0.933820978 0.974050606 1.433061963 1.539059992</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="-4.1005364" y3="-1.71683663" z3="10.5063083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59443578" y3="-0.82221912" z3="10.10103218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96337543" y3="-1.72449821" z3="11.60374368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18452669" y3="-1.61797242" z3="10.30349018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54012932" y3="-2.98959169" z3="9.87890882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02460333" y3="-3.88536974" z3="10.31822948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46053069" y3="-3.07352119" z3="10.08847186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72417884" y3="-3.05929857" z3="8.36276439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80441102" y3="-3.07881793" z3="8.12183668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25942556" y3="-3.9876109" z3="7.98453017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.83979359" y3="-1.92476589" z3="7.46076509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.01556662" y3="-0.66161278" z3="6.29021658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60848718" y3="-1.39802579" z3="6.82994714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.44334173" y3="0.3360748" z3="6.47555412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09886294" y3="-0.94497289" z3="4.77869153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.16156737" y3="-0.86584548" z3="4.46321635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.44823117" y3="-0.15572287" z3="4.22624497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44260834" y3="-2.31874239" z3="4.38276694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52311497" y3="-2.34833796" z3="4.61306314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.01521687" y3="-3.08204771" z3="5.03742301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22134825" y3="-2.70602782" z3="2.91752627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58981747" y3="-3.73806772" z3="2.76275675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86481246" y3="-2.73406236" z3="2.70004563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90942692" y3="-1.78159409" z3="1.91271043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99182028" y3="-1.71009741" z3="2.12533603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49784556" y3="-0.75826414" z3="1.95574855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78995205" y3="-2.14734224" z3="0.87635521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15507016" y3="-2.87829486" z3="7.8539047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40409316" y3="-0.73069636" z3="6.85780649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.17958532" y3="-0.08926061" z3="6.42495793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2128711" y3="-1.94771" z3="7.67902726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46244218" y3="1.74916339" z3="11.08122224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.20527373" y3="2.47824475" z3="10.58890631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.43826705" y3="1.782876" z3="10.56137645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.62106987" y3="2.08915112" z3="12.12145599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14038589" y3="0.345063" z3="11.03110116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.51247252" y3="-0.35572384" z3="11.58605905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.11653013" y3="0.34943008" z3="11.54797156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.35406723" y3="-0.1868894" z3="9.60777921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.73657958" y3="-1.22120459" z3="9.65522805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.60669648" y3="-0.2352424" z3="9.06453033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.33388708" y3="0.68220783" z3="8.82692882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.45157804" y3="0.93719867" z3="9.25997771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86599872" y3="1.35626567" z3="8.0664561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.1005,-1.7168,10.5063;-3.5944,-.8222,10.101;-3.9634,-1.7245,11.6037;-5.1845,-1.618,10.3035;-3.5401,-2.9896,9.8789;-4.0246,-3.8854,10.3182;-2.4605,-3.0735,10.0885;-3.7242,-3.0593,8.3628;-4.8044,-3.0788,8.1218;-3.2594,-3.9876,7.9845;-1.8398,-1.9248,7.4608;-.0156,-.6616,6.2902;.6085,-1.398,6.8299;.4433,.3361,6.4756;.0989,-.945,4.7787;1.1616,-.8658,4.4632;-.4482,-.1557,4.2262;-.4426,-2.3187,4.3828;-1.5231,-2.3483,4.6131;.0152,-3.082,5.0374;-.2213,-2.706,2.9175;-.5898,-3.7381,2.7628;.8648,-2.7341,2.7;-.9094,-1.7816,1.9127;-1.9918,-1.7101,2.1253;-.4978,-.7583,1.9557;-.79,-2.1473,.8764;-1.1551,-2.8783,7.8539;-1.4041,-.7307,6.8578;-2.1796,-.0893,6.425;-3.2129,-1.9477,7.679;.4624,1.7492,11.0812;-.2053,2.4782,10.5889;1.4383,1.7829,10.5614;.6211,2.0892,12.1215;-.1404,.3451,11.0311;.5125,-.3557,11.5861;-1.1165,.3494,11.548;-.3541,-.1869,9.6078;-.7366,-1.2212,9.6552;.6067,-.2352,9.0645;-1.3339,.6822,8.8269;-2.4516,.9372,9.26;-.866,1.3563,8.0665;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604696714193</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002958736410 0.000383587575 0.031440859572 0.008704185188</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002528561 0.000031336 0.000111400 0.000179163 0.000226088 0.000277044 0.000393167 0.000938073 0.001106851 0.001563140 0.001959055 0.002566398 0.002637982 0.003178438 0.004315522 0.005120860 0.005818546 0.006590997 0.006963394 0.007910313 0.009078176 0.011765029 0.012878787 0.017468382 0.019717062 0.021049629 0.024182260 0.026901611 0.028793476 0.032878524 0.033648221 0.033758207 0.034460527 0.036517515 0.040631363 0.043452819 0.046183814 0.046672577 0.047045909 0.051154782 0.052130397 0.052270015 0.054470324 0.057370685 0.059043630 0.059852943 0.067091290 0.067822845 0.071931418 0.072478232 0.074893674 0.076390663 0.077454463 0.079636969 0.082253439 0.082938910 0.086973683 0.097897473 0.100030036 0.100959324 0.106549550 0.109246816 0.111575256 0.113284740 0.115653367 0.129654942 0.131572236 0.135335036 0.137910866 0.139388392 0.144942865 0.153785787 0.162670116 0.168838275 0.171916988 0.177426960 0.178502759 0.187573100 0.193985814 0.202169491 0.209120048 0.213805951 0.228180999 0.249399339 0.251918592 0.291162268 0.310393827 0.341393746 0.375609865 0.414728883 0.430433200 0.474800686 0.495808356 0.544230857 0.586733507 0.611799213 0.629957147 0.661732273 0.736602108 0.740124183 0.750417439 0.755693723 0.769867808 0.776842179 0.778849294 0.785005607 0.787487468 0.797308817 0.805096948 0.814366890 0.818425147 0.821763818 0.844134406 0.846378911 0.849115932 0.864055505 0.892415177 0.895980584 0.900804064 0.904776899 0.912860283 0.918927084 0.933821438 0.974055011 1.433568279 1.539062292</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="-4.10243985" y3="-1.71689847" z3="10.51164836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59693794" y3="-0.82169776" z3="10.10702415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96623671" y3="-1.72444914" z3="11.60921541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.186312" y3="-1.61857488" z3="10.30795868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54080905" y3="-2.98930864" z3="9.88464155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02466051" y3="-3.88515526" z3="10.32459496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46111631" y3="-3.07203552" z3="10.0939173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72498529" y3="-3.05990073" z3="8.36843361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80540522" y3="-3.08370552" z3="8.12819489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25730579" y3="-3.98715618" z3="7.99104512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84426141" y3="-1.92228159" z3="7.46157188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02267577" y3="-0.66465533" z3="6.281963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59978957" y3="-1.39826261" z3="6.8273332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.43359262" y3="0.33448147" z3="6.46692962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.10264435" y3="-0.95085124" z3="4.77132131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.16764425" y3="-0.87108814" z3="4.46357704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.441181" y3="-0.16290684" z3="4.21362137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43457996" y3="-2.32540777" z3="4.37260359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51449679" y3="-2.35874667" z3="4.60519386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02711753" y3="-3.08905686" z3="5.0243061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21472289" y3="-2.70903716" z3="2.90592678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58103699" y3="-3.74169609" z3="2.74995127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.87107795" y3="-2.73429015" z3="2.68614727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90669942" y3="-1.78516331" z3="1.90308836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.9884351" y3="-1.71403036" z3="2.11914113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49547872" y3="-0.76159514" z3="1.94382556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79054296" y3="-2.15154889" z3="0.86652672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15620905" y3="-2.86957841" z3="7.86587648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41374051" y3="-0.73706353" z3="6.84193384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18951781" y3="-0.09523411" z3="6.41088958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21803598" y3="-1.94733096" z3="7.68369243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47064559" y3="1.74580315" z3="11.09966194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.1955409" y3="2.48518447" z3="10.62034717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44399193" y3="1.78105749" z3="10.57534161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.6367025" y3="2.07170315" z3="12.14339407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13936199" y3="0.34514871" z3="11.03558868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.51280501" y3="-0.36473139" z3="11.57968216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.11305429" y3="0.34783706" z3="11.55717603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.35996766" y3="-0.17161213" z3="9.60766055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.7432346" y3="-1.20619018" z3="9.6455983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.59818903" y3="-0.21598907" z3="9.05985776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34187121" y3="0.70315923" z3="8.83789086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.45721232" y3="0.9566821" z3="9.27482748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88449613" y3="1.36556051" z3="8.06325179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.1024,-1.7169,10.5116;-3.5969,-.8217,10.107;-3.9662,-1.7244,11.6092;-5.1863,-1.6186,10.308;-3.5408,-2.9893,9.8846;-4.0247,-3.8852,10.3246;-2.4611,-3.072,10.0939;-3.725,-3.0599,8.3684;-4.8054,-3.0837,8.1282;-3.2573,-3.9872,7.991;-1.8443,-1.9223,7.4616;-.0227,-.6647,6.282;.5998,-1.3983,6.8273;.4336,.3345,6.4669;.1026,-.9509,4.7713;1.1676,-.8711,4.4636;-.4412,-.1629,4.2136;-.4346,-2.3254,4.3726;-1.5145,-2.3587,4.6052;.0271,-3.0891,5.0243;-.2147,-2.709,2.9059;-.581,-3.7417,2.75;.8711,-2.7343,2.6861;-.9067,-1.7852,1.9031;-1.9884,-1.714,2.1191;-.4955,-.7616,1.9438;-.7905,-2.1515,.8665;-1.1562,-2.8696,7.8659;-1.4137,-.7371,6.8419;-2.1895,-.0952,6.4109;-3.218,-1.9473,7.6837;.4706,1.7458,11.0997;-.1955,2.4852,10.6203;1.444,1.7811,10.5753;.6367,2.0717,12.1434;-.1394,.3451,11.0356;.5128,-.3647,11.5797;-1.1131,.3478,11.5572;-.36,-.1716,9.6077;-.7432,-1.2062,9.6456;.5982,-.216,9.0599;-1.3419,.7032,8.8379;-2.4572,.9567,9.2748;-.8845,1.3656,8.0633;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604563094870</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002499617009 0.000277386805 0.026792044400 0.008703931201</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002199948 0.000056078 0.000111176 0.000186617 0.000229816 0.000309122 0.000393412 0.000956266 0.001109760 0.001565334 0.001964252 0.002624056 0.002683554 0.003181692 0.004316868 0.005172318 0.005817778 0.006625940 0.007058619 0.007934149 0.009066360 0.011764381 0.012878534 0.017482511 0.019717421 0.021051664 0.024186422 0.026900163 0.028807889 0.032878629 0.033648111 0.033759571 0.034460561 0.036518670 0.040631345 0.043452917 0.046186449 0.046672712 0.047044822 0.051155004 0.052130668 0.052271161 0.054470569 0.057370874 0.059043414 0.059854252 0.067092953 0.067827280 0.071932555 0.072479757 0.074893583 0.076391022 0.077454610 0.079637277 0.082253703 0.082937753 0.086973634 0.097897363 0.100030056 0.100959043 0.106549467 0.109246483 0.111575409 0.113284793 0.115653548 0.129655342 0.131573789 0.135335845 0.137910770 0.139390830 0.144949185 0.153794834 0.162670277 0.168838662 0.171917581 0.177426762 0.178502990 0.187574007 0.193991605 0.202169165 0.209133103 0.213831149 0.228179896 0.249425244 0.251917704 0.291162251 0.310405422 0.341393025 0.375649424 0.414728915 0.430433150 0.474800341 0.495807947 0.544236271 0.586733490 0.611801030 0.629980150 0.661734098 0.736609852 0.740161107 0.750417369 0.755698369 0.769868010 0.776849698 0.778853201 0.785005650 0.787490595 0.797308964 0.805097836 0.814367733 0.818425811 0.821763882 0.844149459 0.846380835 0.849120198 0.864064617 0.892416501 0.896009831 0.900804784 0.904788613 0.912880291 0.918934958 0.933822590 0.974184894 1.433816397 1.539120475</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="-4.10427564" y3="-1.71661391" z3="10.51645924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59955502" y3="-0.82094671" z3="10.11320399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96923685" y3="-1.72375462" z3="11.6141785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18787331" y3="-1.61820222" z3="10.3115071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54134389" y3="-2.98849453" z3="9.88967315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.0245701" y3="-3.88418004" z3="10.33068038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46146294" y3="-3.06982269" z3="10.09813894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72570763" y3="-3.0600345" z3="8.37331107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80652896" y3="-3.08796207" z3="8.13423124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2558489" y3="-3.98700568" z3="7.99763993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84697683" y3="-1.92186978" z3="7.46018397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02788261" y3="-0.66931279" z3="6.27150344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59316352" y3="-1.40031177" z3="6.82212894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.42431502" y3="0.33179686" z3="6.45913316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.10801446" y3="-0.95547632" z3="4.76194124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.17422037" y3="-0.87474044" z3="4.45928861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.43443073" y3="-0.16837761" z3="4.20194557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42743744" y3="-2.33039078" z3="4.36311855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50681899" y3="-2.36473077" z3="4.59775212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03589011" y3="-3.09370716" z3="5.01417003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20905676" y3="-2.7123296" z3="2.89607502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57413491" y3="-3.74532433" z3="2.73948082">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.87643259" y3="-2.73545183" z3="2.6746159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90415149" y3="-1.788224" z3="1.89555523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98532147" y3="-1.71765865" z3="2.11460879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49347461" y3="-0.76442161" z3="1.9358263">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79049151" y3="-2.1539657" z3="0.85851693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.156643" y3="-2.86263765" z3="7.88194342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42317922" y3="-0.7517991" z3="6.81641848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19884125" y3="-0.10344979" z3="6.39459412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22315015" y3="-1.94789372" z3="7.68674404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47634163" y3="1.74169662" z3="11.11623971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.18884374" y3="2.48707808" z3="10.64566516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44784934" y3="1.77901221" z3="10.58883554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.6463808" y3="2.05819133" z3="12.1615909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13747248" y3="0.34338543" z3="11.04214701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.51423108" y3="-0.37337255" z3="11.57664058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.10952959" y3="0.34319201" z3="11.56661619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.36400065" y3="-0.15719399" z3="9.60948371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.74706084" y3="-1.192815" z3="9.63306693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.59069187" y3="-0.19475081" z3="9.05529433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34747056" y3="0.72995127" z3="8.85918285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.45920773" y3="0.9807388" z3="9.29598998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.90391276" y3="1.37156743" z3="8.05705174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.1043,-1.7166,10.5165;-3.5996,-.8209,10.1132;-3.9692,-1.7238,11.6142;-5.1879,-1.6182,10.3115;-3.5413,-2.9885,9.8897;-4.0246,-3.8842,10.3307;-2.4615,-3.0698,10.0981;-3.7257,-3.06,8.3733;-4.8065,-3.088,8.1342;-3.2558,-3.987,7.9976;-1.847,-1.9219,7.4602;-.0279,-.6693,6.2715;.5932,-1.4003,6.8221;.4243,.3318,6.4591;.108,-.9555,4.7619;1.1742,-.8747,4.4593;-.4344,-.1684,4.2019;-.4274,-2.3304,4.3631;-1.5068,-2.3647,4.5978;.0359,-3.0937,5.0142;-.2091,-2.7123,2.8961;-.5741,-3.7453,2.7395;.8764,-2.7355,2.6746;-.9042,-1.7882,1.8956;-1.9853,-1.7177,2.1146;-.4935,-.7644,1.9358;-.7905,-2.154,.8585;-1.1566,-2.8626,7.8819;-1.4232,-.7518,6.8164;-2.1988,-.1034,6.3946;-3.2232,-1.9479,7.6867;.4763,1.7417,11.1162;-.1888,2.4871,10.6457;1.4478,1.779,10.5888;.6464,2.0582,12.1616;-.1375,.3434,11.0421;.5142,-.3734,11.5766;-1.1095,.3432,11.5666;-.364,-.1572,9.6095;-.7471,-1.1928,9.6331;.5907,-.1948,9.0553;-1.3475,.73,8.8592;-2.4592,.9807,9.296;-.9039,1.3716,8.0571;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604388999205</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004859327580 0.000644399687 0.037630413683 0.008703910918</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001998781 0.000108060 0.000119081 0.000196672 0.000227679 0.000333374 0.000392431 0.000912952 0.001113027 0.001565004 0.001950077 0.002631213 0.002676096 0.003181844 0.004318338 0.005240943 0.005817180 0.006651463 0.007232974 0.007984908 0.009057849 0.011764119 0.012880298 0.017545508 0.019717790 0.021056677 0.024224789 0.026921240 0.028922549 0.032880528 0.033648668 0.033774528 0.034482275 0.036518431 0.040637375 0.043530537 0.046206619 0.046672465 0.047073147 0.051168410 0.052132604 0.052281301 0.054477435 0.057382519 0.059043381 0.059862891 0.067111528 0.067873783 0.071948393 0.072484076 0.074893595 0.076465242 0.077454975 0.079641782 0.082254240 0.082942474 0.087055524 0.097909147 0.100030292 0.100966076 0.106552876 0.109252259 0.111575295 0.113284807 0.115653843 0.129655357 0.131578356 0.135343427 0.137913164 0.139391757 0.145001097 0.153858766 0.162669913 0.168840473 0.171919138 0.177451192 0.178503839 0.187575023 0.194020684 0.202168303 0.209163651 0.214027893 0.228308859 0.249421912 0.251916661 0.291163729 0.310416732 0.341391500 0.375650867 0.414729148 0.430434954 0.474803432 0.495806900 0.544239919 0.586733380 0.611802139 0.630055320 0.661743394 0.736650690 0.740378989 0.750417786 0.755698417 0.769868206 0.776849628 0.778863820 0.785005641 0.787493902 0.797310450 0.805098540 0.814367731 0.818430701 0.821765481 0.844156746 0.846383063 0.849122006 0.864065363 0.892416157 0.896015874 0.900804102 0.904788945 0.912880204 0.918934751 0.933822769 0.974178717 1.434886637 1.539119044</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="-4.10470838" y3="-1.71282086" z3="10.51898881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59956635" y3="-0.81727533" z3="10.11392525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96944789" y3="-1.7201763" z3="11.61667718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18861407" y3="-1.6165232" z3="10.31442405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54044297" y3="-2.98467032" z3="9.89314427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02220059" y3="-3.88138277" z3="10.33373172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46059091" y3="-3.06464454" z3="10.10273979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72513624" y3="-3.05774196" z3="8.37718645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80540502" y3="-3.08465206" z3="8.13718108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25487768" y3="-3.98387868" z3="8.00037326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84967869" y3="-1.91620052" z3="7.46701025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03068058" y3="-0.66266476" z3="6.28050445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59162999" y3="-1.39444051" z3="6.82818747">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.42633183" y3="0.33663871" z3="6.46068013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09630388" y3="-0.95330084" z3="4.77054154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.16188005" y3="-0.86881178" z3="4.46626321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.44887039" y3="-0.16890294" z3="4.20935955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43057009" y3="-2.33107131" z3="4.36808868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5105219" y3="-2.37441532" z3="4.59951491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03760543" y3="-3.09348917" z3="5.01679971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20633187" y3="-2.70934543" z3="2.89995147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56540244" y3="-3.74414891" z3="2.74104233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.87989968" y3="-2.72727882" z3="2.68144155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90214782" y3="-1.78889437" z3="1.89636334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98391603" y3="-1.72039515" z3="2.11283291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49368347" y3="-0.76408906" z3="1.93386915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78599375" y3="-2.15729693" z3="0.86047926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15792697" y3="-2.85897408" z3="7.87183606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41991903" y3="-0.72811929" z3="6.84800653">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19755941" y3="-0.0963094" z3="6.40548794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22121964" y3="-1.94416093" z3="7.69024886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47456181" y3="1.73711598" z3="11.11529242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.1874777" y3="2.49052452" z3="10.65096333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44773948" y3="1.77572689" z3="10.59088503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64511245" y3="2.04202572" z3="12.16552194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14374547" y3="0.34080668" z3="11.02757119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50115303" y3="-0.37871593" z3="11.56780427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12035758" y3="0.34206836" z3="11.54297501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.3563294" y3="-0.16272051" z3="9.59412352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.72851383" y3="-1.20143698" z3="9.62524433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.60433298" y3="-0.19386341" z3="9.04975244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34708553" y3="0.70130638" z3="8.82155243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46122845" y3="0.95303613" z3="9.26947873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89476228" y3="1.37295032" z3="8.05432709">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1047,-1.7128,10.519;-3.5996,-.8173,10.1139;-3.9694,-1.7202,11.6167;-5.1886,-1.6165,10.3144;-3.5404,-2.9847,9.8931;-4.0222,-3.8814,10.3337;-2.4606,-3.0646,10.1027;-3.7251,-3.0577,8.3772;-4.8054,-3.0847,8.1372;-3.2549,-3.9839,8.0004;-1.8497,-1.9162,7.467;-.0307,-.6627,6.2805;.5916,-1.3944,6.8282;.4263,.3366,6.4607;.0963,-.9533,4.7705;1.1619,-.8688,4.4663;-.4489,-.1689,4.2094;-.4306,-2.3311,4.3681;-1.5105,-2.3744,4.5995;.0376,-3.0935,5.0168;-.2063,-2.7093,2.9;-.5654,-3.7441,2.741;.8799,-2.7273,2.6814;-.9021,-1.7889,1.8964;-1.9839,-1.7204,2.1128;-.4937,-.7641,1.9339;-.786,-2.1573,.8605;-1.1579,-2.859,7.8718;-1.4199,-.7281,6.848;-2.1976,-.0963,6.4055;-3.2212,-1.9442,7.6902;.4746,1.7371,11.1153;-.1875,2.4905,10.651;1.4477,1.7757,10.5909;.6451,2.042,12.1655;-.1437,.3408,11.0276;.5012,-.3787,11.5678;-1.1204,.3421,11.543;-.3563,-.1627,9.5941;-.7285,-1.2014,9.6252;.6043,-.1939,9.0498;-1.3471,.7013,8.8216;-2.4612,.953,9.2695;-.8948,1.373,8.0543;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604596332143</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.006248859940 0.000784278126 0.026470922170 0.008703718701</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002769626 -0.000709458 0.000110404 0.000189918 0.000213605 0.000238566 0.000390759 0.000870411 0.001112559 0.001563203 0.001959066 0.002630706 0.002979129 0.003221866 0.004332240 0.005430271 0.005817660 0.006702283 0.007676020 0.008885376 0.009681731 0.011768074 0.012895877 0.017858920 0.019723327 0.021071815 0.024338406 0.027031050 0.029217786 0.032888638 0.033649463 0.033837710 0.034626182 0.036519981 0.040671068 0.043968984 0.046333196 0.046672558 0.047262163 0.051251983 0.052137344 0.052326352 0.054524062 0.057443733 0.059050144 0.059922871 0.067183879 0.068124245 0.072014382 0.072510667 0.074905090 0.076822865 0.077461564 0.079680354 0.082270962 0.082956064 0.087499109 0.097961426 0.100030739 0.101005043 0.106567024 0.109270385 0.111575745 0.113285784 0.115655470 0.129655342 0.131611246 0.135365742 0.137917128 0.139390719 0.145229065 0.154135964 0.162671467 0.168851287 0.171929666 0.177481091 0.178535884 0.187576770 0.194123177 0.202168742 0.209283034 0.214764839 0.228717664 0.249430030 0.251917920 0.291167767 0.310423314 0.341396050 0.375676508 0.414729274 0.430438918 0.474805220 0.495874354 0.544246320 0.586736541 0.611808713 0.630320586 0.661766135 0.736751637 0.741007914 0.750417896 0.755700121 0.769869525 0.776849768 0.778887213 0.785005891 0.787514239 0.797315031 0.805101782 0.814368928 0.818432187 0.821770978 0.844218055 0.846394678 0.849131783 0.864075282 0.892420587 0.896049649 0.900805620 0.904801972 0.912936407 0.918944186 0.933823807 0.974206672 1.438222807 1.539134838</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="-4.1028789" y3="-1.72087297" z3="10.51176395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59600889" y3="-0.82556302" z3="10.10830336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96799194" y3="-1.73048847" z3="11.60947023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18646072" y3="-1.62160236" z3="10.30699654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54177476" y3="-2.99311955" z3="9.88388046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02729926" y3="-3.88931987" z3="10.32128421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46259662" y3="-3.07741828" z3="10.09518616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72395114" y3="-3.06117923" z3="8.36744112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.8037566" y3="-3.08524575" z3="8.12528215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2546104" y3="-3.98679584" z3="7.98817457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84471916" y3="-1.91821833" z3="7.46748611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02282154" y3="-0.66463776" z3="6.28835742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59771989" y3="-1.39873393" z3="6.83504098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.43786608" y3="0.3330731" z3="6.46833981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.10115161" y3="-0.95521776" z3="4.77781039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.16737457" y3="-0.87812777" z3="4.47368325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.43851325" y3="-0.16637942" z3="4.21727614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43554993" y3="-2.32878256" z3="4.37360966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51551538" y3="-2.36565024" z3="4.60589528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02827703" y3="-3.0954805" z3="5.02033423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2158354" y3="-2.70678802" z3="2.90447015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.5812937" y3="-3.73931595" z3="2.74542006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86989263" y3="-2.73121383" z3="2.68408056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90775235" y3="-1.78223486" z3="1.9018682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98891962" y3="-1.70747385" z3="2.11958403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49328625" y3="-0.75978199" z3="1.93844507">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79515944" y3="-2.15166429" z3="0.86581937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15539385" y3="-2.86484802" z3="7.86780844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41171787" y3="-0.72638205" z3="6.85710348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18798448" y3="-0.09253768" z3="6.41481534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21691125" y3="-1.94611407" z3="7.68543424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47650047" y3="1.74936014" z3="11.09927135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.18907623" y3="2.49857414" z3="10.63328395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44592346" y3="1.78271633" z3="10.56709523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65511462" y3="2.06398255" z3="12.14526386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14277022" y3="0.35282118" z3="11.03030286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50469445" y3="-0.36011887" z3="11.5758245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.11698365" y3="0.36105269" z3="11.55080967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.36275452" y3="-0.16934276" z3="9.60446725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.7461909" y3="-1.20313189" z3="9.65171525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.59705641" y3="-0.21832038" z3="9.05983043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.3460001" y3="0.69438477" z3="8.82268537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46395759" y3="0.94636986" z3="9.25939843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88349712" y3="1.36915465" z3="8.06195976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.1029,-1.7209,10.5118;-3.596,-.8256,10.1083;-3.968,-1.7305,11.6095;-5.1865,-1.6216,10.307;-3.5418,-2.9931,9.8839;-4.0273,-3.8893,10.3213;-2.4626,-3.0774,10.0952;-3.724,-3.0612,8.3674;-4.8038,-3.0852,8.1253;-3.2546,-3.9868,7.9882;-1.8447,-1.9182,7.4675;-.0228,-.6646,6.2884;.5977,-1.3987,6.835;.4379,.3331,6.4683;.1012,-.9552,4.7778;1.1674,-.8781,4.4737;-.4385,-.1664,4.2173;-.4355,-2.3288,4.3736;-1.5155,-2.3657,4.6059;.0283,-3.0955,5.0203;-.2158,-2.7068,2.9045;-.5813,-3.7393,2.7454;.8699,-2.7312,2.6841;-.9078,-1.7822,1.9019;-1.9889,-1.7075,2.1196;-.4933,-.7598,1.9384;-.7952,-2.1517,.8658;-1.1554,-2.8648,7.8678;-1.4117,-.7264,6.8571;-2.188,-.0925,6.4148;-3.2169,-1.9461,7.6854;.4765,1.7494,11.0993;-.1891,2.4986,10.6333;1.4459,1.7827,10.5671;.6551,2.064,12.1453;-.1428,.3528,11.0303;.5047,-.3601,11.5758;-1.117,.3611,11.5508;-.3628,-.1693,9.6045;-.7462,-1.2031,9.6517;.5971,-.2183,9.0598;-1.346,.6944,8.8227;-2.464,.9464,9.2594;-.8835,1.3692,8.062;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604614780575</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002556293066 0.000392831757 0.030459520098 0.008703799975</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002422677 -0.000135531 0.000112507 0.000182599 0.000220352 0.000235393 0.000390975 0.000857941 0.001110426 0.001552886 0.001991559 0.002614025 0.002669671 0.003213587 0.004328608 0.005355665 0.005808686 0.006669569 0.007623120 0.008746569 0.009476097 0.011783348 0.012892132 0.017841289 0.019725491 0.021068310 0.024327778 0.027063559 0.029149140 0.032888396 0.033654014 0.033829935 0.034669131 0.036522125 0.040674398 0.043996736 0.046337016 0.046672707 0.047294489 0.051255996 0.052136680 0.052329908 0.054526748 0.057443200 0.059051662 0.059924378 0.067185835 0.068135797 0.072019075 0.072509832 0.074903145 0.076848616 0.077461678 0.079676570 0.082268777 0.082969312 0.087510065 0.097960284 0.100030703 0.101008709 0.106566974 0.109274425 0.111575809 0.113285650 0.115655618 0.129655329 0.131608988 0.135367196 0.137918148 0.139389951 0.145227483 0.154139670 0.162671864 0.168851246 0.171928623 0.177476186 0.178538591 0.187577585 0.194119669 0.202174766 0.209288721 0.214759822 0.228700776 0.249429455 0.251918840 0.291169388 0.310422965 0.341395880 0.375687163 0.414729838 0.430438637 0.474805515 0.495898917 0.544245269 0.586736361 0.611808159 0.630322879 0.661766455 0.736751919 0.740995622 0.750418183 0.755699820 0.769869501 0.776849282 0.778887578 0.785005905 0.787511257 0.797314932 0.805101688 0.814369584 0.818435453 0.821771129 0.844217061 0.846394515 0.849131574 0.864074981 0.892420590 0.896048370 0.900805446 0.904801482 0.912935650 0.918944057 0.933823788 0.974202130 1.438213770 1.539132789</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="-4.10204637" y3="-1.72081749" z3="10.51090772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59572791" y3="-0.82526097" z3="10.1080363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96715955" y3="-1.72947675" z3="11.6086044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18552846" y3="-1.6210124" z3="10.3059802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.5412694" y3="-2.99341285" z3="9.88352107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.0268781" y3="-3.88886533" z3="10.32235865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46190571" y3="-3.07756716" z3="10.09358475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72399752" y3="-3.0622416" z3="8.36703477">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80416038" y3="-3.08879767" z3="8.12588338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25368401" y3="-3.98790475" z3="7.9888306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84518767" y3="-1.91854805" z3="7.46380861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02527193" y3="-0.66812326" z3="6.27744417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59451674" y3="-1.40003942" z3="6.82800746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.431373" y3="0.33125857" z3="6.45969601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.10927305" y3="-0.95918828" z3="4.76731523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.17774238" y3="-0.88569093" z3="4.46939614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.42462677" y3="-0.16910583" z3="4.20255902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43094471" y3="-2.33134894" z3="4.36371136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51049212" y3="-2.3634855" z3="4.59819935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03094031" y3="-3.098547" z3="5.01124881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21555336" y3="-2.71231993" z3="2.89493026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58471199" y3="-3.74401844" z3="2.73875434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86943623" y3="-2.74034605" z3="2.67120404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90845189" y3="-1.78739952" z3="1.89344584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98925045" y3="-1.71268422" z3="2.11290199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49392628" y3="-0.76499751" z3="1.93033026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79732037" y3="-2.15610633" z3="0.85701655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15449668" y3="-2.86034721" z3="7.87570172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41744025" y3="-0.73806888" z3="6.83538699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19351568" y3="-0.09959301" z3="6.40010875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2195244" y3="-1.94724282" z3="7.68444657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47553908" y3="1.75126893" z3="11.11284155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.19593583" y3="2.49558881" z3="10.64845369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44314593" y3="1.79096428" z3="10.57790805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65399228" y3="2.06749875" z3="12.15783701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13566926" y3="0.35139683" z3="11.04466027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.52326495" y3="-0.36145103" z3="11.57682592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.10301386" y3="0.35075283" z3="11.57900459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.36977212" y3="-0.16021199" z3="9.61674171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.76313325" y3="-1.19092365" z3="9.65566399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.58549765" y3="-0.21381059" z3="9.06501694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34785315" y3="0.71914111" z3="8.84923642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46171141" y3="0.97682938" z3="9.28770079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.89292258" y3="1.37364317" z3="8.07012664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.102,-1.7208,10.5109;-3.5957,-.8253,10.108;-3.9672,-1.7295,11.6086;-5.1855,-1.621,10.306;-3.5413,-2.9934,9.8835;-4.0269,-3.8889,10.3224;-2.4619,-3.0776,10.0936;-3.724,-3.0622,8.367;-4.8042,-3.0888,8.1259;-3.2537,-3.9879,7.9888;-1.8452,-1.9185,7.4638;-.0253,-.6681,6.2774;.5945,-1.4,6.828;.4314,.3313,6.4597;.1093,-.9592,4.7673;1.1777,-.8857,4.4694;-.4246,-.1691,4.2026;-.4309,-2.3313,4.3637;-1.5105,-2.3635,4.5982;.0309,-3.0985,5.0112;-.2156,-2.7123,2.8949;-.5847,-3.744,2.7388;.8694,-2.7403,2.6712;-.9085,-1.7874,1.8934;-1.9893,-1.7127,2.1129;-.4939,-.765,1.9303;-.7973,-2.1561,.857;-1.1545,-2.8603,7.8757;-1.4174,-.7381,6.8354;-2.1935,-.0996,6.4001;-3.2195,-1.9472,7.6844;.4755,1.7513,11.1128;-.1959,2.4956,10.6485;1.4431,1.791,10.5779;.654,2.0675,12.1578;-.1357,.3514,11.0447;.5233,-.3615,11.5768;-1.103,.3508,11.579;-.3698,-.1602,9.6167;-.7631,-1.1909,9.6557;.5855,-.2138,9.065;-1.3479,.7191,8.8492;-2.4617,.9768,9.2877;-.8929,1.3736,8.0701;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604382603920</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005077904756 0.000663594122 0.027289049046 0.008703842777</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001752573 -0.001052539 0.000108575 0.000185177 0.000198654 0.000228422 0.000391121 0.000911527 0.001108373 0.001550511 0.002022708 0.002539280 0.002645410 0.003188367 0.004318576 0.005173970 0.005810030 0.006656955 0.007537812 0.008470023 0.009120107 0.011773804 0.012888753 0.018144108 0.019735944 0.021109817 0.024433173 0.027081006 0.029599000 0.032895755 0.033655416 0.033883187 0.034790619 0.036527493 0.040683454 0.044165916 0.046361730 0.046684849 0.047509221 0.051290099 0.052138863 0.052371923 0.054577741 0.057503564 0.059053653 0.059955274 0.067209503 0.068354948 0.072081919 0.072544391 0.074903310 0.077190484 0.077479115 0.079707835 0.082270871 0.082983003 0.087935168 0.098021474 0.100031022 0.101052140 0.106588154 0.109306143 0.111577183 0.113285692 0.115655904 0.129655858 0.131631915 0.135396249 0.137929360 0.139410799 0.145401067 0.154373454 0.162671195 0.168855044 0.171934341 0.177630747 0.178537492 0.187585129 0.194228549 0.202177290 0.209369763 0.215472281 0.229212949 0.249424102 0.251927499 0.291187245 0.310475076 0.341397653 0.375694656 0.414733270 0.430444144 0.474832824 0.495936983 0.544252803 0.586736521 0.611808336 0.630573865 0.661795562 0.736840833 0.741898165 0.750424735 0.755699774 0.769870718 0.776853556 0.778951446 0.785005973 0.787525134 0.797319425 0.805102349 0.814371904 0.818465889 0.821774813 0.844232654 0.846399343 0.849138719 0.864084286 0.892420408 0.896068285 0.900806893 0.904802953 0.912959357 0.918943868 0.933824795 0.974199093 1.441323664 1.539171173</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="-4.09966233" y3="-1.72891223" z3="10.50759299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59054689" y3="-0.8338319" z3="10.1075437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96652524" y3="-1.74193389" z3="11.60546294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18246567" y3="-1.62520786" z3="10.30109841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54150755" y3="-3.00058762" z3="9.8760871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.03188608" y3="-3.89664694" z3="10.30839612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46315048" y3="-3.08970519" z3="10.08952797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.71988391" y3="-3.0601214" z3="8.35873213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.79923136" y3="-3.08487289" z3="8.11407846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24813813" y3="-3.9830911" z3="7.97582957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8393076" y3="-1.91340092" z3="7.466485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.01659368" y3="-0.66727329" z3="6.28561851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60100742" y3="-1.40052709" z3="6.83689317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.44667015" y3="0.33034188" z3="6.46275604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.10755064" y3="-0.96307553" z3="4.77631137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.17425179" y3="-0.89523045" z3="4.47395314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.42552541" y3="-0.17105338" z3="4.21472539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43984813" y3="-2.33265742" z3="4.37248442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51974127" y3="-2.36345394" z3="4.60596776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0196021" y3="-3.10343268" z3="5.01744435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22383618" y3="-2.7102619" z3="2.90261901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59209978" y3="-3.74177124" z3="2.74373703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86148509" y3="-2.73727009" z3="2.68088402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.91396972" y3="-1.78495301" z3="1.89914531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99406012" y3="-1.70262395" z3="2.11960309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.4932619" y3="-0.76472217" z3="1.92898796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.80707129" y3="-2.16012698" z3="0.86448122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.1512763" y3="-2.8599122" z3="7.87358312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40699395" y3="-0.72909337" z3="6.84719864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18159911" y3="-0.08657544" z3="6.41381111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21346358" y3="-1.94136279" z3="7.68406264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47581207" y3="1.75842823" z3="11.10761817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.20223026" y3="2.51310853" z3="10.66775679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.43204009" y3="1.80016117" z3="10.5515651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.67975802" y3="2.05978994" z3="12.15340293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14235925" y3="0.36129915" z3="11.03937907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50721441" y3="-0.35136389" z3="11.58115608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.11391861" y3="0.36848428" z3="11.56371577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.36892047" y3="-0.16311506" z3="9.6152486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.76054165" y3="-1.19400793" z3="9.66624989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.58832585" y3="-0.22218343" z3="9.06713031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34554065" y3="0.70985051" z3="8.83803992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46623763" y3="0.95760689" z3="9.26041174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88068525" y3="1.37467591" z3="8.0655968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.0997,-1.7289,10.5076;-3.5905,-.8338,10.1075;-3.9665,-1.7419,11.6055;-5.1825,-1.6252,10.3011;-3.5415,-3.0006,9.8761;-4.0319,-3.8966,10.3084;-2.4632,-3.0897,10.0895;-3.7199,-3.0601,8.3587;-4.7992,-3.0849,8.1141;-3.2481,-3.9831,7.9758;-1.8393,-1.9134,7.4665;-.0166,-.6673,6.2856;.601,-1.4005,6.8369;.4467,.3303,6.4628;.1076,-.9631,4.7763;1.1743,-.8952,4.474;-.4255,-.1711,4.2147;-.4398,-2.3327,4.3725;-1.5197,-2.3635,4.606;.0196,-3.1034,5.0174;-.2238,-2.7103,2.9026;-.5921,-3.7418,2.7437;.8615,-2.7373,2.6809;-.914,-1.785,1.8991;-1.9941,-1.7026,2.1196;-.4933,-.7647,1.929;-.8071,-2.1601,.8645;-1.1513,-2.8599,7.8736;-1.407,-.7291,6.8472;-2.1816,-.0866,6.4138;-3.2135,-1.9414,7.6841;.4758,1.7584,11.1076;-.2022,2.5131,10.6678;1.432,1.8002,10.5516;.6798,2.0598,12.1534;-.1424,.3613,11.0394;.5072,-.3514,11.5812;-1.1139,.3685,11.5637;-.3689,-.1631,9.6152;-.7605,-1.194,9.6662;.5883,-.2222,9.0671;-1.3455,.7099,8.838;-2.4662,.9576,9.2604;-.8807,1.3747,8.0656;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604465718731</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005459644786 0.000725411020 0.025061885010 0.008703648561</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001337694 -0.000988476 0.000103968 0.000138796 0.000187279 0.000234667 0.000396420 0.001042085 0.001123863 0.001549642 0.002021347 0.002604222 0.002920403 0.003379807 0.004345177 0.005400143 0.005809941 0.006655863 0.007615711 0.008671795 0.009324646 0.011787232 0.012890142 0.018202116 0.019753556 0.021146027 0.024452139 0.027075868 0.029771233 0.032897383 0.033657187 0.033938419 0.034815708 0.036562247 0.040684864 0.044197735 0.046370432 0.046686783 0.047582736 0.051300424 0.052140095 0.052392788 0.054619555 0.057532589 0.059055052 0.059981235 0.067219367 0.068487614 0.072121354 0.072561250 0.074903861 0.077361871 0.077540030 0.079733538 0.082271059 0.083002623 0.088241250 0.098068259 0.100031317 0.101077656 0.106606666 0.109326085 0.111577608 0.113286342 0.115655902 0.129655998 0.131681611 0.135413266 0.137937893 0.139431519 0.145518055 0.154473554 0.162698608 0.168860406 0.171953391 0.177934074 0.178539024 0.187587009 0.194372060 0.202225517 0.209383376 0.215943016 0.229638364 0.249494362 0.251930224 0.291193022 0.310496317 0.341408171 0.375821377 0.414744950 0.430448355 0.474861990 0.496423327 0.544258803 0.586738316 0.611808564 0.630575623 0.661812547 0.736895926 0.742853890 0.750429505 0.755700768 0.769874026 0.776853625 0.778959220 0.785005979 0.787633595 0.797323787 0.805105473 0.814384708 0.818602672 0.821776003 0.844232281 0.846401507 0.849144104 0.864099144 0.892420592 0.896074828 0.900823518 0.904804711 0.912990611 0.918944379 0.933830499 0.974223388 1.444454218 1.539261709</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="-4.10151869" y3="-1.72196887" z3="10.51063975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59348581" y3="-0.8270101" z3="10.1078786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96734243" y3="-1.73296206" z3="11.60841343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18484992" y3="-1.62154892" z3="10.30514436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54104952" y3="-2.99381387" z3="9.8814445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02819712" y3="-3.89045779" z3="10.31613342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46226098" y3="-3.0797281" z3="10.09435319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72128999" y3="-3.05820522" z3="8.3646913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80065931" y3="-3.08153457" z3="8.12082436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25099327" y3="-3.98240809" z3="7.9833569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8417309" y3="-1.9147143" z3="7.46842967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.01870476" y3="-0.66225109" z3="6.29200271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60185083" y3="-1.39694844" z3="6.83781179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.44515582" y3="0.33461797" z3="6.46885447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09726764" y3="-0.95511565" z3="4.7817709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.16179501" y3="-0.87915659" z3="4.47277677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.44465527" y3="-0.16629485" z3="4.22389374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44146421" y3="-2.32840931" z3="4.37894097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52185991" y3="-2.36547585" z3="4.60928609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0210187" y3="-3.0955046" z3="5.02598019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21891914" y3="-2.70593229" z3="2.91009927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58160611" y3="-3.73923352" z3="2.75009083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86738025" y3="-2.72769795" z3="2.69249795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90972942" y3="-1.7832565" z3="1.90485834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99098452" y3="-1.70676831" z3="2.12126438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49436592" y3="-0.76103559" z3="1.93800476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79677491" y3="-2.15626659" z3="0.87018752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15398497" y3="-2.86472827" z3="7.863063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40578445" y3="-0.71954835" z3="6.86513748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18138049" y3="-0.08294487" z3="6.42514164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21321673" y3="-1.94135258" z3="7.68622559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47217992" y3="1.7499796" z3="11.09696974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.19904908" y3="2.5023644" z3="10.64515717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.43518042" y3="1.78844141" z3="10.55332784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.66304047" y3="2.05566735" z3="12.14322459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14649635" y3="0.35359975" z3="11.02624797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49728613" y3="-0.35833361" z3="11.57727637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12404505" y3="0.36313467" z3="11.54066566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.35914435" y3="-0.173897" z3="9.60112028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.739499" y3="-1.20882339" z3="9.65252429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.60293223" y3="-0.22283958" z3="9.06012957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34195611" y3="0.68581089" z3="8.81297804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46399199" y3="0.93277015" z3="9.2422163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.87245852" y3="1.36916776" z3="8.06133714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.1015,-1.722,10.5106;-3.5935,-.827,10.1079;-3.9673,-1.733,11.6084;-5.1848,-1.6215,10.3051;-3.541,-2.9938,9.8814;-4.0282,-3.8905,10.3161;-2.4623,-3.0797,10.0944;-3.7213,-3.0582,8.3647;-4.8007,-3.0815,8.1208;-3.251,-3.9824,7.9834;-1.8417,-1.9147,7.4684;-.0187,-.6623,6.292;.6019,-1.3969,6.8378;.4452,.3346,6.4689;.0973,-.9551,4.7818;1.1618,-.8792,4.4728;-.4447,-.1663,4.2239;-.4415,-2.3284,4.3789;-1.5219,-2.3655,4.6093;.021,-3.0955,5.026;-.2189,-2.7059,2.9101;-.5816,-3.7392,2.7501;.8674,-2.7277,2.6925;-.9097,-1.7833,1.9049;-1.991,-1.7068,2.1213;-.4944,-.761,1.938;-.7968,-2.1563,.8702;-1.154,-2.8647,7.8631;-1.4058,-.7195,6.8651;-2.1814,-.0829,6.4251;-3.2132,-1.9414,7.6862;.4722,1.75,11.097;-.199,2.5024,10.6452;1.4352,1.7884,10.5533;.663,2.0557,12.1432;-.1465,.3536,11.0262;.4973,-.3583,11.5773;-1.124,.3631,11.5407;-.3591,-.1739,9.6011;-.7395,-1.2088,9.6525;.6029,-.2228,9.0601;-1.342,.6858,8.813;-2.464,.9328,9.2422;-.8725,1.3692,8.0613;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604712498387</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001564294933 0.000308393973 0.022356734026 0.008703777462</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001602595 -0.000441532 0.000094940 0.000139888 0.000196680 0.000248914 0.000395794 0.001066281 0.001133824 0.001553758 0.002021781 0.002623095 0.002880000 0.003301348 0.004346985 0.005380843 0.005810767 0.006669423 0.007621365 0.008650264 0.009288240 0.011784523 0.012890860 0.018198048 0.019749881 0.021140524 0.024448824 0.027081995 0.029766942 0.032897706 0.033658244 0.033933693 0.034833487 0.036557779 0.040686296 0.044218140 0.046378692 0.046686655 0.047604494 0.051304421 0.052140490 0.052401407 0.054620843 0.057536964 0.059055176 0.059984461 0.067221020 0.068498230 0.072126545 0.072556636 0.074903805 0.077378151 0.077554541 0.079735527 0.082271233 0.083013536 0.088286608 0.098075172 0.100031313 0.101077775 0.106606856 0.109329183 0.111577919 0.113286286 0.115656294 0.129655878 0.131687080 0.135412983 0.137938340 0.139431462 0.145521555 0.154478983 0.162699051 0.168861254 0.171953274 0.177921051 0.178539530 0.187587154 0.194379193 0.202221858 0.209376421 0.215963490 0.229654484 0.249507766 0.251930703 0.291194613 0.310494384 0.341409314 0.375799096 0.414744479 0.430448640 0.474861683 0.496409737 0.544258965 0.586738597 0.611808922 0.630566195 0.661813414 0.736897031 0.742837999 0.750429651 0.755700851 0.769873938 0.776855813 0.778956702 0.785006165 0.787644460 0.797324047 0.805106023 0.814384731 0.818601360 0.821776856 0.844231189 0.846401530 0.849144143 0.864100237 0.892420819 0.896072502 0.900825138 0.904805037 0.912990743 0.918944518 0.933831007 0.974229384 1.444533063 1.539262928</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="-4.10664385" y3="-1.71200445" z3="10.51817901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60147852" y3="-0.8173161" z3="10.11134241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97172751" y3="-1.71780133" z3="11.61591661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19051904" y3="-1.61669895" z3="10.31293727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54139606" y3="-2.98427645" z3="9.89415242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.02320211" y3="-3.88115915" z3="10.33432155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.461793" y3="-3.06384729" z3="10.10564281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72437289" y3="-3.05765091" z3="8.37810517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80419963" y3="-3.08428437" z3="8.13655824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25314318" y3="-3.98314095" z3="8.00110881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84912446" y3="-1.91645536" z3="7.46990008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02886704" y3="-0.66048901" z3="6.29121307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59381143" y3="-1.39389344" z3="6.83634868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.43193718" y3="0.33754781" z3="6.46949832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.08860342" y3="-0.95031783" z3="4.78098618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15216177" y3="-0.86277925" z3="4.47161909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.46183017" y3="-0.1662993" z3="4.22471162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43550834" y3="-2.3287172" z3="4.37608401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51600932" y3="-2.37764191" z3="4.60431043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03409454" y3="-3.09181449" z3="5.02287034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20563254" y3="-2.70180089" z3="2.90715914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.55924937" y3="-3.73781015" z3="2.74397164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88155393" y3="-2.71413418" z3="2.69296445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90064095" y3="-1.78258325" z3="1.90166763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98318423" y3="-1.7152034" z3="2.11471216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49353996" y3="-0.75712203" z3="1.93838729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78127285" y3="-2.15241901" z3="0.86658754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15902439" y3="-2.86457395" z3="7.86448791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4154835" y3="-0.72134858" z3="6.86471046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19274255" y3="-0.08654854" z3="6.42491752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21956739" y3="-1.9436734" z3="7.69213581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47531037" y3="1.73749873" z3="11.09720863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.18709723" y3="2.49303393" z3="10.63704649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44602636" y3="1.77264999" z3="10.56673071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65322605" y3="2.04130046" z3="12.14655019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14726655" y3="0.34356581" z3="11.01672617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49113245" y3="-0.37235035" z3="11.56856713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12829331" y3="0.3534032" z3="11.5244077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.35320292" y3="-0.17630691" z3="9.58840215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.72367155" y3="-1.21517214" z3="9.63232327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.610196" y3="-0.21284307" z3="9.04834499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34358041" y3="0.67980401" z3="8.80497002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46311525" y3="0.92530659" z3="9.24202667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88003522" y3="1.36575437" z3="8.05156109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                     </atomArray>
                     <bondArray>
                        <bond atomRefs2="a1 a3" order="S"/>
                        <bond atomRefs2="a1 a2" order="S"/>
                        <bond atomRefs2="a1 a4" order="S"/>
                        <bond atomRefs2="a1 a5" order="S"/>
                        <bond atomRefs2="a5 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-4.1066,-1.712,10.5182;-3.6015,-.8173,10.1113;-3.9717,-1.7178,11.6159;-5.1905,-1.6167,10.3129;-3.5414,-2.9843,9.8942;-4.0232,-3.8812,10.3343;-2.4618,-3.0638,10.1056;-3.7244,-3.0577,8.3781;-4.8042,-3.0843,8.1366;-3.2531,-3.9831,8.0011;-1.8491,-1.9165,7.4699;-.0289,-.6605,6.2912;.5938,-1.3939,6.8363;.4319,.3375,6.4695;.0886,-.9503,4.781;1.1522,-.8628,4.4716;-.4618,-.1663,4.2247;-.4355,-2.3287,4.3761;-1.516,-2.3776,4.6043;.0341,-3.0918,5.0229;-.2056,-2.7018,2.9072;-.5592,-3.7378,2.744;.8816,-2.7141,2.693;-.9006,-1.7826,1.9017;-1.9832,-1.7152,2.1147;-.4935,-.7571,1.9384;-.7813,-2.1524,.8666;-1.159,-2.8646,7.8645;-1.4155,-.7213,6.8647;-2.1927,-.0865,6.4249;-3.2196,-1.9437,7.6921;.4753,1.7375,11.0972;-.1871,2.493,10.637;1.446,1.7726,10.5667;.6532,2.0413,12.1466;-.1473,.3436,11.0167;.4911,-.3724,11.5686;-1.1283,.3534,11.5244;-.3532,-.1763,9.5884;-.7237,-1.2152,9.6323;.6102,-.2128,9.0483;-1.3436,.6798,8.805;-2.4631,.9253,9.242;-.88,1.3658,8.0516;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604787867569</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002327939708 0.000374404968 0.024283604584 0.008704076979</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002093739 0.000099478 0.000146798 0.000179711 0.000225886 0.000379548 0.000459702 0.001101053 0.001132916 0.001547197 0.002023173 0.002593968 0.002765982 0.003276666 0.004345628 0.005373497 0.005812204 0.006667068 0.007627109 0.008654307 0.009294747 0.011784617 0.012891397 0.018201757 0.019754796 0.021144292 0.024453978 0.027080607 0.029801215 0.032897924 0.033658658 0.033949211 0.034834140 0.036562680 0.040686505 0.044227041 0.046385844 0.046688765 0.047605010 0.051310323 0.052141072 0.052401676 0.054626538 0.057540396 0.059055307 0.059988703 0.067223533 0.068525655 0.072130368 0.072567432 0.074904359 0.077383831 0.077568462 0.079743549 0.082275793 0.083007310 0.088337459 0.098081457 0.100031430 0.101081953 0.106610745 0.109330084 0.111577788 0.113286723 0.115656420 0.129655910 0.131702040 0.135415079 0.137939206 0.139431144 0.145539689 0.154515187 0.162708383 0.168863667 0.171952611 0.177930267 0.178542311 0.187588637 0.194391486 0.202239625 0.209387510 0.216026139 0.229725514 0.249517762 0.251930509 0.291194840 0.310495939 0.341410059 0.375853787 0.414744265 0.430448688 0.474862450 0.496477351 0.544259358 0.586738901 0.611809102 0.630587192 0.661814742 0.736900599 0.742933814 0.750429753 0.755701391 0.769874780 0.776855522 0.778959284 0.785005973 0.787723620 0.797324819 0.805106212 0.814390615 0.818631186 0.821777445 0.844233928 0.846402158 0.849144337 0.864101718 0.892420941 0.896073196 0.900832626 0.904805699 0.912993924 0.918945917 0.933833521 0.974263358 1.444967068 1.539288104</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="-4.10846245" y3="-1.70973635" z3="10.52351503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60480015" y3="-0.81467164" z3="10.11643321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97345604" y3="-1.7139566" z3="11.62125528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19240775" y3="-1.61556569" z3="10.31822853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54161819" y3="-2.98174781" z3="9.90051235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.0214609" y3="-3.8784687" z3="10.34316517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46155907" y3="-3.05885434" z3="10.11019327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72632275" y3="-3.05801238" z3="8.38464128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80672666" y3="-3.08845778" z3="8.14520168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2536502" y3="-3.9837392" z3="8.00980986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.85373329" y3="-1.91666033" z3="7.4684079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03604603" y3="-0.66409693" z3="6.28097886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58585522" y3="-1.39462946" z3="6.8309509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.42013995" y3="0.33599749" z3="6.46166459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09283081" y3="-0.95400624" z3="4.77154607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15795249" y3="-0.86405317" z3="4.46810809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.45662345" y3="-0.17171655" z3="4.21186098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42690955" y3="-2.33357371" z3="4.366097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50668931" y3="-2.38513366" z3="4.59683527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04591648" y3="-3.09559606" z3="5.01197326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.19852382" y3="-2.70480856" z3="2.89665491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.55055571" y3="-3.74127677" z3="2.73304665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88827239" y3="-2.71478818" z3="2.68037835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.89736591" y3="-1.78564009" z3="1.8937211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.97947829" y3="-1.72025533" z3="2.1095377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49199217" y3="-0.75956522" z3="1.93084855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.77977171" y3="-2.1539111" z3="0.85790037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16093829" y3="-2.85855751" z3="7.87716017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42638682" y3="-0.73358667" z3="6.84239445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20391425" y3="-0.09545336" z3="6.40842164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22584398" y3="-1.94505199" z3="7.69524626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48080187" y3="1.73204209" z3="11.11378524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.17569894" y3="2.49068132" z3="10.65176155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45506091" y3="1.76735222" z3="10.59101431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65134887" y3="2.03182492" z3="12.16452803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14473934" y3="0.33990488" z3="11.02241697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49409287" y3="-0.38284148" z3="11.56439722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12403718" y3="0.34604204" z3="11.53315033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.35598717" y3="-0.16299987" z3="9.58884456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.72479839" y3="-1.20318289" z3="9.61825493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.60421226" y3="-0.19098787" z3="9.0430878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34945933" y3="0.70266952" z3="8.82277202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46475792" y3="0.94711107" z3="9.26450771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.90013087" y3="1.37134528" z3="8.04716343">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1085,-1.7097,10.5235;-3.6048,-.8147,10.1164;-3.9735,-1.714,11.6213;-5.1924,-1.6156,10.3182;-3.5416,-2.9817,9.9005;-4.0215,-3.8785,10.3432;-2.4616,-3.0589,10.1102;-3.7263,-3.058,8.3846;-4.8067,-3.0885,8.1452;-3.2537,-3.9837,8.0098;-1.8537,-1.9167,7.4684;-.036,-.6641,6.281;.5859,-1.3946,6.831;.4201,.336,6.4617;.0928,-.954,4.7715;1.158,-.8641,4.4681;-.4566,-.1717,4.2119;-.4269,-2.3336,4.3661;-1.5067,-2.3851,4.5968;.0459,-3.0956,5.012;-.1985,-2.7048,2.8967;-.5506,-3.7413,2.733;.8883,-2.7148,2.6804;-.8974,-1.7856,1.8937;-1.9795,-1.7203,2.1095;-.492,-.7596,1.9308;-.7798,-2.1539,.8579;-1.1609,-2.8586,7.8772;-1.4264,-.7336,6.8424;-2.2039,-.0955,6.4084;-3.2258,-1.9451,7.6952;.4808,1.732,11.1138;-.1757,2.4907,10.6518;1.4551,1.7674,10.591;.6513,2.0318,12.1645;-.1447,.3399,11.0224;.4941,-.3828,11.5644;-1.124,.346,11.5332;-.356,-.163,9.5888;-.7248,-1.2032,9.6183;.6042,-.191,9.0431;-1.3495,.7027,8.8228;-2.4648,.9471,9.2645;-.9001,1.3713,8.0472;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604635489580</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001949429242 0.000270402223 0.026528658796 0.008703541140</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001593812 -0.000936956 0.000105082 0.000179783 0.000225036 0.000300799 0.000394350 0.001043259 0.001149507 0.001547598 0.002023862 0.002551293 0.002711464 0.003249771 0.004345190 0.005386897 0.005811477 0.006686418 0.007676695 0.008705316 0.009485490 0.011786406 0.012892061 0.018200599 0.019759704 0.021151743 0.024448419 0.027069186 0.029841815 0.032898098 0.033659170 0.033950895 0.034832544 0.036570823 0.040682636 0.044194383 0.046374889 0.046686012 0.047595788 0.051301636 0.052140958 0.052395755 0.054634075 0.057549664 0.059053307 0.059984628 0.067224017 0.068563161 0.072141480 0.072583766 0.074900097 0.077401437 0.077608977 0.079757244 0.082281298 0.083002310 0.088426375 0.098097519 0.100031500 0.101087916 0.106617974 0.109336101 0.111577417 0.113286532 0.115656264 0.129656818 0.131708685 0.135421648 0.137941362 0.139430171 0.145573755 0.154572807 0.162715117 0.168867224 0.171953032 0.177939481 0.178545037 0.187588862 0.194422518 0.202239066 0.209413122 0.216158451 0.229873754 0.249513778 0.251930392 0.291197265 0.310510903 0.341409595 0.375847075 0.414744427 0.430448359 0.474864229 0.496467789 0.544260427 0.586738662 0.611808978 0.630637927 0.661821596 0.736909562 0.743110104 0.750430536 0.755701207 0.769875824 0.776856462 0.778973352 0.785007427 0.787720651 0.797325927 0.805106047 0.814394471 0.818641497 0.821779603 0.844245492 0.846403722 0.849144985 0.864103785 0.892420459 0.896072227 0.900837537 0.904804686 0.912992623 0.918945080 0.933835760 0.974261472 1.445774608 1.539325086</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="-4.10492635" y3="-1.71344032" z3="10.52287113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60084855" y3="-0.81766547" z3="10.11868127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96970876" y3="-1.72036569" z3="11.62056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18868217" y3="-1.61659609" z3="10.31801067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54027003" y3="-2.98464286" z3="9.89634607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.0216007" y3="-3.88125554" z3="10.33755713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46018836" y3="-3.06380475" z3="10.104563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72575446" y3="-3.05687648" z3="8.38022673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80658667" y3="-3.08790998" z3="8.1419402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25327015" y3="-3.98218507" z3="8.00383261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.85258138" y3="-1.91400382" z3="7.46432354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03569885" y3="-0.66662104" z3="6.27075043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58480592" y3="-1.39448058" z3="6.82608889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.41748529" y3="0.33512996" z3="6.45179899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.10212071" y3="-0.9598765" z3="4.76234948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.16929135" y3="-0.87609109" z3="4.46411483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.44079308" y3="-0.17620672" z3="4.19797202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42427618" y3="-2.33750368" z3="4.35989463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50345267" y3="-2.38245228" z3="4.59423611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04612886" y3="-3.10039535" z3="5.00652441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20271459" y3="-2.71299743" z3="2.89074282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56114137" y3="-3.74783315" z3="2.7308565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88310014" y3="-2.72930494" z3="2.67009949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90113218" y3="-1.79226927" z3="1.88899096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98204748" y3="-1.72166448" z3="2.1091571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49105804" y3="-0.76798157" z3="1.92328076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78931139" y3="-2.16244737" z3="0.85319222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15886778" y3="-2.85148558" z3="7.88607799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42959141" y3="-0.74278736" z3="6.82038945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20628937" y3="-0.09941754" z3="6.39289134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22702743" y3="-1.9429773" z3="7.69276294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4789309" y3="1.73405638" z3="11.13379649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.17984797" y3="2.49320093" z3="10.67582796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45299848" y3="1.7760251" z3="10.61158152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64758055" y3="2.02876717" z3="12.1861457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14148233" y3="0.34004781" z3="11.03382209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50310717" y3="-0.38564748" z3="11.56484048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.11768978" y3="0.33743893" z3="11.55060302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.35837519" y3="-0.14806353" z3="9.59569824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.72880744" y3="-1.18836677" z3="9.61213502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.59894241" y3="-0.17119691" z3="9.04502192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.35149687" y3="0.72919818" z3="8.84549861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.463733" y3="0.97262628" z3="9.28786891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91360158" y3="1.37971059" z3="8.0484492">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1049,-1.7134,10.5229;-3.6008,-.8177,10.1187;-3.9697,-1.7204,11.6206;-5.1887,-1.6166,10.318;-3.5403,-2.9846,9.8963;-4.0216,-3.8813,10.3376;-2.4602,-3.0638,10.1046;-3.7258,-3.0569,8.3802;-4.8066,-3.0879,8.1419;-3.2533,-3.9822,8.0038;-1.8526,-1.914,7.4643;-.0357,-.6666,6.2708;.5848,-1.3945,6.8261;.4175,.3351,6.4518;.1021,-.9599,4.7623;1.1693,-.8761,4.4641;-.4408,-.1762,4.198;-.4243,-2.3375,4.3599;-1.5035,-2.3825,4.5942;.0461,-3.1004,5.0065;-.2027,-2.713,2.8907;-.5611,-3.7478,2.7309;.8831,-2.7293,2.6701;-.9011,-1.7923,1.889;-1.982,-1.7217,2.1092;-.4911,-.768,1.9233;-.7893,-2.1624,.8532;-1.1589,-2.8515,7.8861;-1.4296,-.7428,6.8204;-2.2063,-.0994,6.3929;-3.227,-1.943,7.6928;.4789,1.7341,11.1338;-.1798,2.4932,10.6758;1.453,1.776,10.6116;.6476,2.0288,12.1861;-.1415,.34,11.0338;.5031,-.3856,11.5648;-1.1177,.3374,11.5506;-.3584,-.1481,9.5957;-.7288,-1.1884,9.6121;.5989,-.1712,9.045;-1.3515,.7292,8.8455;-2.4637,.9726,9.2879;-.9136,1.3797,8.0484;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604477771758</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003493526177 0.000423926832 0.026041639378 0.008704016484</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001436232 -0.000014910 0.000113765 0.000168683 0.000234875 0.000369700 0.000426424 0.001097517 0.001178318 0.001554429 0.002024115 0.002616047 0.002965207 0.003345139 0.004354005 0.005416458 0.005810831 0.006690177 0.007664011 0.008670966 0.009316184 0.011780385 0.012893302 0.018197778 0.019760737 0.021153400 0.024451273 0.027052010 0.029911967 0.032899019 0.033657606 0.033962119 0.034844124 0.036568675 0.040682550 0.044216433 0.046383458 0.046685655 0.047625846 0.051309625 0.052141740 0.052405217 0.054647039 0.057568206 0.059052584 0.059993705 0.067228607 0.068624442 0.072154832 0.072596948 0.074903492 0.077420031 0.077707037 0.079777572 0.082285647 0.083003955 0.088620887 0.098127946 0.100031668 0.101103586 0.106628275 0.109346095 0.111577136 0.113286637 0.115656939 0.129658006 0.131728553 0.135431006 0.137944510 0.139437527 0.145639440 0.154686711 0.162718218 0.168871681 0.171958274 0.177982329 0.178550732 0.187587970 0.194471366 0.202242574 0.209433138 0.216451692 0.230210993 0.249512271 0.251930812 0.291200390 0.310527511 0.341408530 0.375866675 0.414745162 0.430450038 0.474878020 0.496530340 0.544265873 0.586739541 0.611811769 0.630739927 0.661837522 0.736927779 0.743520783 0.750433756 0.755702661 0.769876932 0.776860439 0.778989767 0.785008171 0.787784997 0.797329901 0.805106873 0.814401321 0.818687244 0.821785177 0.844253418 0.846407179 0.849147911 0.864109043 0.892420761 0.896076871 0.900842611 0.904805569 0.913001528 0.918945596 0.933839697 0.974262785 1.448078124 1.539360765</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="-4.10907569" y3="-1.70471914" z3="10.53022582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60698933" y3="-0.80882523" z3="10.12312793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97335589" y3="-1.70866437" z3="11.62790437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19332576" y3="-1.61211467" z3="10.32577079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54067647" y3="-2.97584726" z3="9.90685856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.01835285" y3="-3.87304907" z3="10.35096997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46017717" y3="-3.05070665" z3="10.11471775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72753762" y3="-3.05398283" z3="8.39122665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80837038" y3="-3.08662814" z3="8.15392888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25433699" y3="-3.97988269" z3="8.01752711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8576227" y3="-1.91359171" z3="7.4668557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04263536" y3="-0.66265018" z3="6.26983467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58051542" y3="-1.39046166" z3="6.82174538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.40869945" y3="0.3394434" z3="6.45168659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09218351" y3="-0.95285729" z3="4.76125104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15705578" y3="-0.85777715" z3="4.45797681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.46102731" y3="-0.17451717" z3="4.19947786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42109265" y3="-2.33587344" z3="4.36060014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50050139" y3="-2.38952252" z3="4.59198725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0544149" y3="-3.09309575" z3="5.01000443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.1913134" y3="-2.71086753" z3="2.89292786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53983388" y3="-3.74885894" z3="2.73170895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.89554151" y3="-2.71726799" z3="2.67683734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.89400409" y3="-1.79500024" z3="1.88990202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.97611806" y3="-1.73357613" z3="2.1071414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.4924959" y3="-0.76742934" z3="1.92757438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.77576893" y3="-2.16238567" z3="0.853926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16210218" y3="-2.84995288" z3="7.88547617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43510635" y3="-0.73889649" z3="6.8251915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21319973" y3="-0.10031287" z3="6.39374399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2298954" y3="-1.94186278" z3="7.69889118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47775438" y3="1.71997784" z3="11.13491085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.17966279" y3="2.48388008" z3="10.68175922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45269984" y3="1.76240184" z3="10.61293474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64703455" y3="2.00658214" z3="12.19017193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14556154" y3="0.32841698" z3="11.02275523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49185933" y3="-0.40178027" z3="11.55675265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12709358" y3="0.32560855" z3="11.52962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.34949203" y3="-0.15043867" z3="9.57975316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.70757305" y3="-1.19561915" z3="9.58609338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.61168267" y3="-0.15765931" z3="9.03469271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.3493595" y3="0.71901655" z3="8.82712063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46078849" y3="0.96200903" z3="9.27930122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91335666" y3="1.3787261" z3="8.03950863">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1091,-1.7047,10.5302;-3.607,-.8088,10.1231;-3.9734,-1.7087,11.6279;-5.1933,-1.6121,10.3258;-3.5407,-2.9758,9.9069;-4.0184,-3.873,10.351;-2.4602,-3.0507,10.1147;-3.7275,-3.054,8.3912;-4.8084,-3.0866,8.1539;-3.2543,-3.9799,8.0175;-1.8576,-1.9136,7.4669;-.0426,-.6627,6.2698;.5805,-1.3905,6.8217;.4087,.3394,6.4517;.0922,-.9529,4.7613;1.1571,-.8578,4.458;-.461,-.1745,4.1995;-.4211,-2.3359,4.3606;-1.5005,-2.3895,4.592;.0544,-3.0931,5.01;-.1913,-2.7109,2.8929;-.5398,-3.7489,2.7317;.8955,-2.7173,2.6768;-.894,-1.795,1.8899;-1.9761,-1.7336,2.1071;-.4925,-.7674,1.9276;-.7758,-2.1624,.8539;-1.1621,-2.85,7.8855;-1.4351,-.7389,6.8252;-2.2132,-.1003,6.3937;-3.2299,-1.9419,7.6989;.4778,1.72,11.1349;-.1797,2.4839,10.6818;1.4527,1.7624,10.6129;.647,2.0066,12.1902;-.1456,.3284,11.0228;.4919,-.4018,11.5568;-1.1271,.3256,11.5296;-.3495,-.1504,9.5798;-.7076,-1.1956,9.5861;.6117,-.1577,9.0347;-1.3494,.719,8.8271;-2.4608,.962,9.2793;-.9134,1.3787,8.0395;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604593643402</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003412329127 0.000434319592 0.025384939903 0.008703560122</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001230840 -0.000088623 0.000127906 0.000202400 0.000224175 0.000355008 0.000417874 0.001105162 0.001130549 0.001565221 0.002024214 0.002618555 0.003040079 0.003411583 0.004356549 0.005416265 0.005812270 0.006690020 0.007668250 0.008689508 0.009384651 0.011780549 0.012895057 0.018198612 0.019761904 0.021155540 0.024453256 0.027058145 0.029936590 0.032899255 0.033658605 0.033962013 0.034843913 0.036576270 0.040682532 0.044216514 0.046386036 0.046685729 0.047625997 0.051310555 0.052141943 0.052404973 0.054650798 0.057574906 0.059052569 0.059993384 0.067229662 0.068632602 0.072155304 0.072607276 0.074904017 0.077422167 0.077732469 0.079780614 0.082286136 0.083003393 0.088656495 0.098134376 0.100031710 0.101105893 0.106631455 0.109345750 0.111577700 0.113286819 0.115656907 0.129658980 0.131733782 0.135434366 0.137944495 0.139439932 0.145657629 0.154750796 0.162718763 0.168872715 0.171960008 0.177983049 0.178554151 0.187588664 0.194478308 0.202243466 0.209456144 0.216548636 0.230254817 0.249555479 0.251930668 0.291201596 0.310538839 0.341409343 0.375867006 0.414745637 0.430450286 0.474878155 0.496532195 0.544265723 0.586740896 0.611811902 0.630912846 0.661844136 0.736932081 0.743668319 0.750433776 0.755702627 0.769877644 0.776861495 0.779002572 0.785008495 0.787805380 0.797331026 0.805107024 0.814402424 0.818688827 0.821786922 0.844257712 0.846408478 0.849147920 0.864111481 0.892421435 0.896076798 0.900843871 0.904806136 0.913001546 0.918946495 0.933842427 0.974289145 1.448847526 1.539414142</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="-4.11210529" y3="-1.70169079" z3="10.53704968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.61141981" y3="-0.80537792" z3="10.12988724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97670355" y3="-1.70448119" z3="11.63477732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19638932" y3="-1.61047328" z3="10.33221734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54161431" y3="-2.97232485" z3="9.91464328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.01772122" y3="-3.8695967" z3="10.36032131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.46089529" y3="-3.04482653" z3="10.12179348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72907666" y3="-3.05277588" z3="8.3990584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.81027757" y3="-3.08936702" z3="8.16305043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25388134" y3="-3.97855491" z3="8.02728867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86233607" y3="-1.91119479" z3="7.46755541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05083182" y3="-0.66398291" z3="6.2609827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57227391" y3="-1.38900711" z3="6.81680623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.39652412" y3="0.34001377" z3="6.44418694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09232835" y3="-0.95438662" z3="4.75323921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15783411" y3="-0.85406986" z3="4.45382971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.46304215" y3="-0.17930412" z3="4.18922459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.41317675" y3="-2.34012247" z3="4.35266817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49209262" y3="-2.39935187" z3="4.58521952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06694301" y3="-3.09478261" z3="5.00189204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.18215976" y3="-2.71355302" z3="2.88487008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52640997" y3="-3.75293206" z3="2.72328487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.90459702" y3="-2.71519699" z3="2.66816147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.88939075" y3="-1.79986558" z3="1.8830385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.97138322" y3="-1.74253176" z3="2.10180912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49169711" y3="-0.77084851" z3="1.92089248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.77107485" y3="-2.16610573" z3="0.8467124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16342121" y3="-2.84064908" z3="7.90005014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44593756" y3="-0.74788279" z3="6.80668931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.22477561" y3="-0.10745383" z3="6.37941687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23574848" y3="-1.94116698" z3="7.70393464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48237229" y3="1.7106141" z3="11.15158788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.17241673" y3="2.48150002" z3="10.70714416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45684606" y3="1.75600833" z3="10.62975522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65308469" y3="1.9853275" z3="12.20917937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14506288" y3="0.32210789" z3="11.0236282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.48997001" y3="-0.41632634" z3="11.54877625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12692647" y3="0.31587055" z3="11.52953984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.34890555" y3="-0.13761248" z3="9.5746375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.70149012" y3="-1.18484253" z3="9.56368189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.61100463" y3="-0.13230882" z3="9.02764485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.35309831" y3="0.73865045" z3="8.83770655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.46053429" y3="0.97971015" z3="9.29418193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93014333" y3="1.38453251" z3="8.03035765">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1121,-1.7017,10.537;-3.6114,-.8054,10.1299;-3.9767,-1.7045,11.6348;-5.1964,-1.6105,10.3322;-3.5416,-2.9723,9.9146;-4.0177,-3.8696,10.3603;-2.4609,-3.0448,10.1218;-3.7291,-3.0528,8.3991;-4.8103,-3.0894,8.1631;-3.2539,-3.9786,8.0273;-1.8623,-1.9112,7.4676;-.0508,-.664,6.261;.5723,-1.389,6.8168;.3965,.34,6.4442;.0923,-.9544,4.7532;1.1578,-.8541,4.4538;-.463,-.1793,4.1892;-.4132,-2.3401,4.3527;-1.4921,-2.3994,4.5852;.0669,-3.0948,5.0019;-.1822,-2.7136,2.8849;-.5264,-3.7529,2.7233;.9046,-2.7152,2.6682;-.8894,-1.7999,1.883;-1.9714,-1.7425,2.1018;-.4917,-.7708,1.9209;-.7711,-2.1661,.8467;-1.1634,-2.8406,7.9001;-1.4459,-.7479,6.8067;-2.2248,-.1075,6.3794;-3.2357,-1.9412,7.7039;.4824,1.7106,11.1516;-.1724,2.4815,10.7071;1.4568,1.756,10.6298;.6531,1.9853,12.2092;-.1451,.3221,11.0236;.49,-.4163,11.5488;-1.1269,.3159,11.5295;-.3489,-.1376,9.5746;-.7015,-1.1848,9.5637;.611,-.1323,9.0276;-1.3531,.7387,8.8377;-2.4605,.9797,9.2942;-.9301,1.3845,8.0304;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604539287997</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001168904164 0.000190042552 0.025838218601 0.008703048879</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001116630 -0.000160768 0.000126694 0.000195139 0.000224274 0.000368123 0.000420861 0.001103379 0.001134268 0.001563570 0.002024216 0.002619748 0.003038744 0.003406638 0.004356346 0.005415850 0.005811889 0.006689699 0.007668178 0.008689404 0.009379319 0.011780526 0.012895201 0.018199564 0.019761932 0.021155229 0.024453413 0.027056129 0.029939150 0.032899299 0.033658858 0.033962474 0.034843603 0.036575290 0.040682440 0.044216808 0.046385376 0.046685453 0.047627144 0.051310990 0.052141976 0.052404576 0.054650327 0.057574721 0.059052024 0.059992140 0.067229515 0.068632499 0.072154953 0.072603740 0.074903928 0.077422518 0.077732796 0.079780717 0.082285842 0.083002078 0.088658779 0.098134970 0.100031672 0.101106101 0.106631461 0.109345835 0.111577284 0.113286761 0.115656962 0.129658732 0.131731880 0.135434566 0.137944696 0.139439373 0.145657440 0.154747150 0.162718942 0.168872395 0.171959475 0.177984503 0.178553220 0.187588359 0.194478281 0.202242208 0.209452537 0.216547880 0.230269709 0.249536080 0.251929251 0.291201310 0.310539852 0.341408081 0.375866138 0.414745576 0.430449873 0.474878577 0.496530646 0.544265926 0.586740700 0.611811777 0.630906795 0.661844663 0.736932129 0.743673440 0.750434082 0.755702416 0.769877577 0.776861277 0.779002643 0.785008417 0.787803535 0.797331062 0.805106996 0.814402320 0.818689222 0.821786872 0.844258427 0.846408544 0.849147917 0.864110727 0.892421061 0.896076320 0.900843493 0.904805614 0.913001885 0.918945732 0.933842226 0.974289298 1.448843880 1.539413522</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="-4.11458409" y3="-1.69694456" z3="10.54276264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.61568622" y3="-0.8000905" z3="10.13510904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97894216" y3="-1.69827295" z3="11.64045671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19904481" y3="-1.6077602" z3="10.33800602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54157959" y3="-2.96693125" z3="9.9214146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.01522618" y3="-3.86453926" z3="10.36908895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.4604577" y3="-3.03630303" z3="10.1273189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.7304316" y3="-3.05029675" z3="8.40604498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.81199097" y3="-3.09046852" z3="8.17171318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25356044" y3="-3.97598772" z3="8.03603168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86721531" y3="-1.90739469" z3="7.46798845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05907651" y3="-0.6634052" z3="6.25292136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56475635" y3="-1.38496072" z3="6.81271516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.38402287" y3="0.34272023" z3="6.43605005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09084779" y3="-0.95513361" z3="4.74612655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15668656" y3="-0.84928436" z3="4.44975771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.46740233" y3="-0.18381226" z3="4.1796392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.40615029" y3="-2.34399655" z3="4.34635611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48443154" y3="-2.40973137" z3="4.58016758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07942907" y3="-3.09550338" z3="4.99533734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.17384975" y3="-2.71661233" z3="2.87855924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51317655" y3="-3.75768891" z3="2.71746952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.91282128" y3="-2.71308458" z3="2.66139798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.88586597" y3="-1.80680299" z3="1.87657373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.9679263" y3="-1.7539064" z3="2.09620897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49250746" y3="-0.77604162" z3="1.91315911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.76683767" y3="-2.17348775" z3="0.84043358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.1648849" y3="-2.82992813" z3="7.9119045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.45597783" y3="-0.75362088" z3="6.79160461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.23582972" y3="-0.1131178" z3="6.36618095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24122431" y3="-1.93931882" z3="7.70765645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48284852" y3="1.70013987" z3="11.16935439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.17074607" y3="2.47641916" z3="10.73293954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45827492" y3="1.75247332" z3="10.65012853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.65109471" y3="1.96179828" z3="12.23056129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14372884" y3="0.31292747" z3="11.02301843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49081425" y3="-0.43200426" z3="11.53893501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12624296" y3="0.29938898" z3="11.5275639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.34482278" y3="-0.12656394" z3="9.56771257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.68996215" y3="-1.17639066" z3="9.53860906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.61465012" y3="-0.1064706" z3="9.02006986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.35422432" y3="0.7544812" z3="8.84494764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.45699596" y3="0.99532301" z3="9.30920701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94402496" y3="1.38957233" z3="8.02317078">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1146,-1.6969,10.5428;-3.6157,-.8001,10.1351;-3.9789,-1.6983,11.6405;-5.199,-1.6078,10.338;-3.5416,-2.9669,9.9214;-4.0152,-3.8645,10.3691;-2.4605,-3.0363,10.1273;-3.7304,-3.0503,8.406;-4.812,-3.0905,8.1717;-3.2536,-3.976,8.036;-1.8672,-1.9074,7.468;-.0591,-.6634,6.2529;.5648,-1.385,6.8127;.384,.3427,6.4361;.0908,-.9551,4.7461;1.1567,-.8493,4.4498;-.4674,-.1838,4.1796;-.4062,-2.344,4.3464;-1.4844,-2.4097,4.5802;.0794,-3.0955,4.9953;-.1738,-2.7166,2.8786;-.5132,-3.7577,2.7175;.9128,-2.7131,2.6614;-.8859,-1.8068,1.8766;-1.9679,-1.7539,2.0962;-.4925,-.776,1.9132;-.7668,-2.1735,.8404;-1.1649,-2.8299,7.9119;-1.456,-.7536,6.7916;-2.2358,-.1131,6.3662;-3.2412,-1.9393,7.7077;.4828,1.7001,11.1694;-.1707,2.4764,10.7329;1.4583,1.7525,10.6501;.6511,1.9618,12.2306;-.1437,.3129,11.023;.4908,-.432,11.5389;-1.1262,.2994,11.5276;-.3448,-.1266,9.5677;-.69,-1.1764,9.5386;.6147,-.1065,9.0201;-1.3542,.7545,8.8449;-2.457,.9953,9.3092;-.944,1.3896,8.0232;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604523896714</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001073837138 0.000163718460 0.027411308354 0.008703254140</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.000915664 -0.000091158 0.000124582 0.000195083 0.000224352 0.000352818 0.000418332 0.001108587 0.001133135 0.001565696 0.002024286 0.002622661 0.003040318 0.003402692 0.004356193 0.005416106 0.005811571 0.006689694 0.007669327 0.008694098 0.009382216 0.011780513 0.012895055 0.018199512 0.019762912 0.021155156 0.024453411 0.027054824 0.029939016 0.032899308 0.033660696 0.033963118 0.034845683 0.036575312 0.040682875 0.044219105 0.046388089 0.046686854 0.047625952 0.051313945 0.052142065 0.052405953 0.054650270 0.057576623 0.059056032 0.059995645 0.067229461 0.068632050 0.072153994 0.072602344 0.074904591 0.077422695 0.077734934 0.079780678 0.082285681 0.083001678 0.088661079 0.098135148 0.100031801 0.101106257 0.106631625 0.109345109 0.111578284 0.113286737 0.115657057 0.129658859 0.131731582 0.135435037 0.137944572 0.139438653 0.145658283 0.154747207 0.162720907 0.168872622 0.171959362 0.177984475 0.178553231 0.187588229 0.194479287 0.202243246 0.209452006 0.216550976 0.230300461 0.249567119 0.251927469 0.291201075 0.310540641 0.341407152 0.375866569 0.414745626 0.430450080 0.474878378 0.496529879 0.544266982 0.586740694 0.611811655 0.630906204 0.661847002 0.736932301 0.743674479 0.750433936 0.755702223 0.769877564 0.776862545 0.779005230 0.785009131 0.787808168 0.797331098 0.805107158 0.814402645 0.818693554 0.821787180 0.844258014 0.846408609 0.849148042 0.864111484 0.892421912 0.896085348 0.900843531 0.904805172 0.913002774 0.918944990 0.933842510 0.974286384 1.448890586 1.539437353</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="-4.11675898" y3="-1.69386039" z3="10.54800017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.61989483" y3="-0.79656833" z3="10.13937975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.98050147" y3="-1.69326431" z3="11.64561049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.20144031" y3="-1.6065276" z3="10.34368724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54183719" y3="-2.96352453" z3="9.92787139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.01324436" y3="-3.86113884" z3="10.37790008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.4602746" y3="-3.03011074" z3="10.13204194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.73242878" y3="-3.04977329" z3="8.41278414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.81435166" y3="-3.09369986" z3="8.18029321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25372606" y3="-3.97520392" z3="8.04434581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.87281663" y3="-1.90578483" z3="7.46743639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06796929" y3="-0.66461142" z3="6.24364989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55608248" y3="-1.38286948" z3="6.80729321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37042307" y3="0.34360199" z3="6.42777221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.09073394" y3="-0.95685188" z3="4.73782849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15717162" y3="-0.84628704" z3="4.44551122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.46889552" y3="-0.18873312" z3="4.16850452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.39883373" y3="-2.34819319" z3="4.33827367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47652816" y3="-2.41884265" z3="4.57282049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09068872" y3="-3.0969331" z3="4.98741029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.16506597" y3="-2.7197837" z3="2.87061237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49976385" y3="-3.76234424" z3="2.70948242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.92149417" y3="-2.7112337" z3="2.6531293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.88155623" y3="-1.81284027" z3="1.86924601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.96354151" y3="-1.76408067" z3="2.09008137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49226829" y3="-0.78057655" z3="1.90554673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.76206286" y3="-2.17896265" z3="0.8330152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16727673" y3="-2.82146397" z3="7.92220032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46733276" y3="-0.76210059" z3="6.77397936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.24808549" y3="-0.12170274" z3="6.35025871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24747667" y3="-1.9392168" z3="7.7116058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48701679" y3="1.69163062" z3="11.18764139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.16571136" y3="2.47396374" z3="10.76035085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46228048" y3="1.74782799" z3="10.66863736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.6563311" y3="1.94129273" z3="12.25142083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14174161" y3="0.307304" z3="11.02525644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49223967" y3="-0.44517066" z3="11.53083661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12376528" y3="0.28862605" z3="11.53013802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.34428573" y3="-0.11272398" z3="9.56474501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.68703375" y3="-1.16263263" z3="9.52094828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.61362065" y3="-0.08330199" z3="9.01573113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.35653028" y3="0.77412609" z3="8.85526019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.45397326" y3="1.01774162" z3="9.32778467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.95947125" y3="1.39418615" z3="8.01604986">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1168,-1.6939,10.548;-3.6199,-.7966,10.1394;-3.9805,-1.6933,11.6456;-5.2014,-1.6065,10.3437;-3.5418,-2.9635,9.9279;-4.0132,-3.8611,10.3779;-2.4603,-3.0301,10.132;-3.7324,-3.0498,8.4128;-4.8144,-3.0937,8.1803;-3.2537,-3.9752,8.0443;-1.8728,-1.9058,7.4674;-.068,-.6646,6.2436;.5561,-1.3829,6.8073;.3704,.3436,6.4278;.0907,-.9569,4.7378;1.1572,-.8463,4.4455;-.4689,-.1887,4.1685;-.3988,-2.3482,4.3383;-1.4765,-2.4188,4.5728;.0907,-3.0969,4.9874;-.1651,-2.7198,2.8706;-.4998,-3.7623,2.7095;.9215,-2.7112,2.6531;-.8816,-1.8128,1.8692;-1.9635,-1.7641,2.0901;-.4923,-.7806,1.9055;-.7621,-2.179,.833;-1.1673,-2.8215,7.9222;-1.4673,-.7621,6.774;-2.2481,-.1217,6.3503;-3.2475,-1.9392,7.7116;.487,1.6916,11.1876;-.1657,2.474,10.7604;1.4623,1.7478,10.6686;.6563,1.9413,12.2514;-.1417,.3073,11.0253;.4922,-.4452,11.5308;-1.1238,.2886,11.5301;-.3443,-.1127,9.5647;-.687,-1.1626,9.5209;.6136,-.0833,9.0157;-1.3565,.7741,8.8553;-2.454,1.0177,9.3278;-.9595,1.3942,8.016;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604495367369</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000874085849 0.000154354667 0.027716198123 0.008702942003</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.000641579 -0.000332266 0.000121484 0.000185334 0.000224619 0.000358412 0.000415860 0.001099014 0.001132244 0.001567480 0.002024268 0.002623559 0.003044813 0.003403898 0.004355882 0.005415202 0.005812296 0.006688709 0.007670640 0.008694333 0.009382479 0.011780501 0.012895247 0.018199396 0.019762697 0.021154315 0.024453684 0.027053028 0.029938900 0.032899308 0.033661394 0.033963302 0.034845703 0.036576333 0.040683067 0.044217380 0.046388208 0.046686929 0.047624484 0.051313465 0.052142111 0.052404036 0.054650225 0.057576197 0.059054032 0.059992259 0.067229305 0.068631557 0.072152887 0.072600881 0.074904641 0.077422558 0.077735445 0.079780640 0.082285608 0.082999649 0.088660316 0.098134897 0.100031953 0.101106050 0.106631484 0.109344445 0.111578163 0.113286776 0.115656925 0.129658713 0.131730570 0.135435120 0.137944259 0.139436760 0.145658301 0.154746743 0.162721399 0.168872327 0.171959220 0.177985824 0.178553642 0.187588763 0.194479169 0.202243859 0.209451549 0.216550073 0.230291417 0.249551447 0.251925301 0.291200902 0.310541770 0.341405817 0.375864988 0.414745699 0.430449199 0.474877650 0.496529230 0.544266225 0.586740584 0.611811587 0.630908768 0.661846594 0.736932656 0.743677894 0.750434002 0.755702011 0.769877534 0.776863232 0.779005020 0.785008999 0.787807769 0.797331089 0.805107131 0.814402591 0.818693372 0.821787114 0.844257529 0.846408593 0.849148069 0.864110574 0.892421485 0.896085604 0.900843184 0.904804576 0.913003057 0.918944113 0.933842431 0.974282359 1.448894142 1.539436096</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="-4.11831109" y3="-1.68730218" z3="10.55080861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62310014" y3="-0.79024463" z3="10.14012438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.98110031" y3="-1.68383466" z3="11.64828889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.20327705" y3="-1.60215525" z3="10.34710669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.54137356" y3="-2.9571701" z3="9.93304639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.01015579" y3="-3.85462469" z3="10.38614195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.45939614" y3="-3.0205207" z3="10.13585686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.73398814" y3="-3.04788814" z3="8.41838366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.81625321" y3="-3.09512418" z3="8.18782782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25387476" y3="-3.97346383" z3="8.05200046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8782758" y3="-1.90247334" z3="7.46673811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07745658" y3="-0.66186138" z3="6.23722453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54849869" y3="-1.37619235" z3="6.80399839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35666371" y3="0.3486003" z3="6.41979318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.08536939" y3="-0.95606278" z3="4.73243966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.15178597" y3="-0.83929383" z3="4.44214034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.47816456" y3="-0.19223993" z3="4.16088594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.39463531" y3="-2.35114043" z3="4.33408055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47197881" y3="-2.42925553" z3="4.56869646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10029572" y3="-3.09602974" z3="4.98387177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.15776083" y3="-2.72263098" z3="2.86674385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.48619358" y3="-3.76736605" z3="2.70646973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.92892752" y3="-2.70795374" z3="2.6499491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87878586" y3="-1.82134541" z3="1.86341051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.96129357" y3="-1.77844811" z3="2.08314042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.49537825" y3="-0.78671911" z3="1.89808984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.75634709" y3="-2.18868458" z3="0.82787639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16916431" y3="-2.81258911" z3="7.92879388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47708674" y3="-0.76440243" z3="6.76452415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25928538" y3="-0.12484382" z3="6.34187515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25296281" y3="-1.93833263" z3="7.71306139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.48434603" y3="1.68146545" z3="11.20665375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.16671488" y3="2.4662313" z3="10.78266686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.46377621" y3="1.74715504" z3="10.69635356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.64373086" y3="1.9194354" z3="12.2745765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13918468" y3="0.29701021" z3="11.02369902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49504368" y3="-0.45983256" z3="11.52152362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12327406" y3="0.26808417" z3="11.52450135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.33428729" y3="-0.1037446" z3="9.55702213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.66693548" y3="-1.15715253" z3="9.49676326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.62466352" y3="-0.05776334" z3="9.0093282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.35301424" y3="0.78415139" z3="8.85809335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.44485126" y3="1.03001794" z3="9.34030448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.96760153" y3="1.39592278" z3="8.00749774">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1183,-1.6873,10.5508;-3.6231,-.7902,10.1401;-3.9811,-1.6838,11.6483;-5.2033,-1.6022,10.3471;-3.5414,-2.9572,9.933;-4.0102,-3.8546,10.3861;-2.4594,-3.0205,10.1359;-3.734,-3.0479,8.4184;-4.8163,-3.0951,8.1878;-3.2539,-3.9735,8.052;-1.8783,-1.9025,7.4667;-.0775,-.6619,6.2372;.5485,-1.3762,6.804;.3567,.3486,6.4198;.0854,-.9561,4.7324;1.1518,-.8393,4.4421;-.4782,-.1922,4.1609;-.3946,-2.3511,4.3341;-1.472,-2.4293,4.5687;.1003,-3.096,4.9839;-.1578,-2.7226,2.8667;-.4862,-3.7674,2.7065;.9289,-2.708,2.6499;-.8788,-1.8213,1.8634;-1.9613,-1.7784,2.0831;-.4954,-.7867,1.8981;-.7563,-2.1887,.8279;-1.1692,-2.8126,7.9288;-1.4771,-.7644,6.7645;-2.2593,-.1248,6.3419;-3.253,-1.9383,7.7131;.4843,1.6815,11.2067;-.1667,2.4662,10.7827;1.4638,1.7472,10.6964;.6437,1.9194,12.2746;-.1392,.297,11.0237;.495,-.4598,11.5215;-1.1233,.2681,11.5245;-.3343,-.1037,9.557;-.6669,-1.1572,9.4968;.6247,-.0578,9.0093;-1.353,.7842,8.8581;-2.4449,1.03,9.3403;-.9676,1.3959,8.0075;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604534664373</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000834434472 0.000212874213 0.024608388145 0.008703527776</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.000993531 0.000106176 0.000130240 0.000221982 0.000229760 0.000354122 0.000424201 0.001115278 0.001173644 0.001568518 0.002024672 0.002625148 0.003046233 0.003403635 0.004356994 0.005416017 0.005813695 0.006687444 0.007677054 0.008696119 0.009389414 0.011780606 0.012901181 0.018199933 0.019763289 0.021154079 0.024453289 0.027058663 0.029939678 0.032899477 0.033664620 0.033963361 0.034846270 0.036584326 0.040683385 0.044219162 0.046388277 0.046686736 0.047624902 0.051313849 0.052142561 0.052403063 0.054650269 0.057576572 0.059055292 0.059991912 0.067229496 0.068630943 0.072152170 0.072599688 0.074913197 0.077422532 0.077736744 0.079781732 0.082289298 0.082999249 0.088660207 0.098135000 0.100033841 0.101106355 0.106631971 0.109344451 0.111579348 0.113286856 0.115656900 0.129659810 0.131738341 0.135436779 0.137943941 0.139437935 0.145659285 0.154746339 0.162727083 0.168872675 0.171959441 0.177989467 0.178555459 0.187594714 0.194480404 0.202248562 0.209451813 0.216550098 0.230301489 0.249573006 0.251925871 0.291204471 0.310556818 0.341405861 0.375881464 0.414747046 0.430449150 0.474877276 0.496528139 0.544265779 0.586740647 0.611812171 0.630906631 0.661846395 0.736934908 0.743686053 0.750434688 0.755707197 0.769877511 0.776900116 0.779030169 0.785010573 0.787808011 0.797331066 0.805107275 0.814406101 0.818698140 0.821787160 0.844261667 0.846409404 0.849148168 0.864110400 0.892423294 0.896136031 0.900843060 0.904804810 0.913003844 0.918945100 0.933844085 0.974303733 1.448947204 1.539438001</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="-4.11851498" y3="-1.67737609" z3="10.55323464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62514583" y3="-0.78095768" z3="10.13894522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.98030888" y3="-1.66950762" z3="11.65057188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.20384471" y3="-1.5952114" z3="10.35013077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.53935551" y3="-2.94826969" z3="9.93965607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-4.00519904" y3="-3.84514356" z3="10.39694793">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.45690834" y3="-3.00793405" z3="10.14105501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.73392682" y3="-3.04529559" z3="8.4256359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.816436" y3="-3.09595827" z3="8.19680024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25222009" y3="-3.97118731" z3="8.06208953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.88233648" y3="-1.89919572" z3="7.46642509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08559898" y3="-0.65634469" z3="6.23116626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54321837" y3="-1.36731463" z3="6.79881431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34451523" y3="0.35608956" z3="6.4124008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.07803455" y3="-0.95174815" z3="4.7270131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.14314141" y3="-0.82798744" z3="4.43521731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.49156568" y3="-0.19284561" z3="4.15498483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.39265938" y3="-2.35086029" z3="4.33211384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46973408" y3="-2.43511472" z3="4.5651499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10592542" y3="-3.09052984" z3="4.98490759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.15056896" y3="-2.7247095" z3="2.8663732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.47134217" y3="-3.77212288" z3="2.70799292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.93648307" y3="-2.70285167" z3="2.65196767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87569242" y3="-1.83067767" z3="1.85954425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.9591344" y3="-1.79560037" z3="2.0762287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.50025616" y3="-0.79309059" z3="1.89367407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.74749719" y3="-2.19880661" z3="0.82500421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.17012054" y3="-2.8054261" z3="7.93167995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48497676" y3="-0.76347588" z3="6.75811147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.26900952" y3="-0.12539296" z3="6.33680475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25656306" y3="-1.93732238" z3="7.71550097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.47693233" y3="1.66840961" z3="11.22219828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.17560184" y3="2.45501551" z3="10.80247899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45975358" y3="1.74388047" z3="10.71969465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.62754317" y3="1.89559991" z3="12.29399544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13824724" y3="0.28318896" z3="11.0194337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49715504" y3="-0.47661222" z3="11.51149782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.12501809" y3="0.24347578" z3="11.51399773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.32364519" y3="-0.10078568" z3="9.54723787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.64778237" y3="-1.1557712" z3="9.47265394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.63715867" y3="-0.04128028" z3="9.00515053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.34634336" y3="0.78694738" z3="8.85434685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.4342087" y3="1.03477794" z3="9.34452468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.96845984" y3="1.39471055" z3="7.99902">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1185,-1.6774,10.5532;-3.6251,-.781,10.1389;-3.9803,-1.6695,11.6506;-5.2038,-1.5952,10.3501;-3.5394,-2.9483,9.9397;-4.0052,-3.8451,10.3969;-2.4569,-3.0079,10.1411;-3.7339,-3.0453,8.4256;-4.8164,-3.096,8.1968;-3.2522,-3.9712,8.0621;-1.8823,-1.8992,7.4664;-.0856,-.6563,6.2312;.5432,-1.3673,6.7988;.3445,.3561,6.4124;.078,-.9517,4.727;1.1431,-.828,4.4352;-.4916,-.1928,4.155;-.3927,-2.3509,4.3321;-1.4697,-2.4351,4.5651;.1059,-3.0905,4.9849;-.1506,-2.7247,2.8664;-.4713,-3.7721,2.708;.9365,-2.7029,2.652;-.8757,-1.8307,1.8595;-1.9591,-1.7956,2.0762;-.5003,-.7931,1.8937;-.7475,-2.1988,.825;-1.1701,-2.8054,7.9317;-1.485,-.7635,6.7581;-2.269,-.1254,6.3368;-3.2566,-1.9373,7.7155;.4769,1.6684,11.2222;-.1756,2.455,10.8025;1.4598,1.7439,10.7197;.6275,1.8956,12.294;-.1382,.2832,11.0194;.4972,-.4766,11.5115;-1.125,.2435,11.514;-.3236,-.1008,9.5472;-.6478,-1.1558,9.4727;.6372,-.0413,9.0052;-1.3463,.7869,8.8543;-2.4342,1.0348,9.3445;-.9685,1.3947,7.999;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604603816869</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000652414830 0.000141814859 0.027435599655 0.008702747537</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001042324 0.000064462 0.000127635 0.000211145 0.000225025 0.000401884 0.000451903 0.001112079 0.001161999 0.001568518 0.002024599 0.002625260 0.003053264 0.003415800 0.004357535 0.005415884 0.005817216 0.006687404 0.007682705 0.008697471 0.009389880 0.011782049 0.012908258 0.018201293 0.019762824 0.021154138 0.024453506 0.027058319 0.029943119 0.032899369 0.033665298 0.033964564 0.034847451 0.036583110 0.040683911 0.044218653 0.046388120 0.046686703 0.047624210 0.051315456 0.052142684 0.052404391 0.054651330 0.057576314 0.059053123 0.059988422 0.067229294 0.068629792 0.072151430 0.072601127 0.074910334 0.077422351 0.077737486 0.079781162 0.082288288 0.082997726 0.088660637 0.098134843 0.100033829 0.101106653 0.106631728 0.109344096 0.111579903 0.113286858 0.115656848 0.129659571 0.131734197 0.135437130 0.137943652 0.139436351 0.145661097 0.154751054 0.162725882 0.168872020 0.171959163 0.177988827 0.178554776 0.187594468 0.194480632 0.202244461 0.209453203 0.216567140 0.230302259 0.249561000 0.251924583 0.291203405 0.310561127 0.341407611 0.375890032 0.414747374 0.430448372 0.474877046 0.496528011 0.544265346 0.586740856 0.611812521 0.630908785 0.661846833 0.736934769 0.743687793 0.750434581 0.755707015 0.769877476 0.776902363 0.779034002 0.785010185 0.787809643 0.797331089 0.805107342 0.814405829 0.818697925 0.821787144 0.844262030 0.846409515 0.849148092 0.864109492 0.892424033 0.896133982 0.900843895 0.904805423 0.913002918 0.918945604 0.933843980 0.974303730 1.448948353 1.539440869</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="-4.11784099" y3="-1.66710955" z3="10.55404969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62575994" y3="-0.77136871" z3="10.1369264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97894601" y3="-1.65562835" z3="11.65124622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.20342911" y3="-1.58741026" z3="10.35137104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.53670669" y3="-2.93880503" z3="9.9440394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.99951096" y3="-3.83516194" z3="10.40539829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.45375634" y3="-2.99491848" z3="10.14387557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.73371058" y3="-3.0419592" z3="8.43072723">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.81650811" y3="-3.09543096" z3="8.20399987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.25091778" y3="-3.96826675" z3="8.06980485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.88587706" y3="-1.89589504" z3="7.46444233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09249166" y3="-0.65017642" z3="6.22750968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.53946815" y3="-1.35808177" z3="6.79557955">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33454403" y3="0.36392871" z3="6.40661448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.07031156" y3="-0.94737393" z3="4.72377091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.13428808" y3="-0.81792415" z3="4.43013659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.5047358" y3="-0.19295401" z3="4.15123476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.39256184" y3="-2.3500384" z3="4.33243196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.46950512" y3="-2.43961155" z3="4.56432048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10913778" y3="-3.08508093" z3="4.98810693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.14593419" y3="-2.72665792" z3="2.86819606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4604143" y3="-3.77625155" z3="2.71223238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.94131571" y3="-2.69919857" z3="2.65581467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87409417" y3="-1.83962149" z3="1.85745455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.9583127" y3="-1.81118657" z3="2.07101674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.50553083" y3="-0.79959568" z3="1.89040015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.7405773" y3="-2.2091288" z3="0.82405547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.17147048" y3="-2.80062977" z3="7.92942543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4908933" y3="-0.76072058" z3="6.75592644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.27606145" y3="-0.12207946" z3="6.33758522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25961713" y3="-1.93577339" z3="7.7156259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.46597727" y3="1.65639406" z3="11.23576648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.18776782" y3="2.43992569" z3="10.81406709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.45401212" y3="1.74327262" z3="10.74495113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.60258706" y3="1.87707887" z3="12.31039339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13675002" y3="0.2684769" z3="11.01530291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50109896" y3="-0.49122855" z3="11.50378556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.1267379" y3="0.21604018" z3="11.50231135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.30934629" y3="-0.10011468" z3="9.53781182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.62070394" y3="-1.15876402" z3="9.44766352">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.65389624" y3="-0.02222306" z3="9.00036086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.33813377" y3="0.78573754" z3="8.85030952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.42337794" y3="1.03270663" z3="9.34634914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.96701718" y3="1.39219564" z3="7.98998079">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1178,-1.6671,10.554;-3.6258,-.7714,10.1369;-3.9789,-1.6556,11.6512;-5.2034,-1.5874,10.3514;-3.5367,-2.9388,9.944;-3.9995,-3.8352,10.4054;-2.4538,-2.9949,10.1439;-3.7337,-3.042,8.4307;-4.8165,-3.0954,8.204;-3.2509,-3.9683,8.0698;-1.8859,-1.8959,7.4644;-.0925,-.6502,6.2275;.5395,-1.3581,6.7956;.3345,.3639,6.4066;.0703,-.9474,4.7238;1.1343,-.8179,4.4301;-.5047,-.193,4.1512;-.3926,-2.35,4.3324;-1.4695,-2.4396,4.5643;.1091,-3.0851,4.9881;-.1459,-2.7267,2.8682;-.4604,-3.7763,2.7122;.9413,-2.6992,2.6558;-.8741,-1.8396,1.8575;-1.9583,-1.8112,2.071;-.5055,-.7996,1.8904;-.7406,-2.2091,.8241;-1.1715,-2.8006,7.9294;-1.4909,-.7607,6.7559;-2.2761,-.1221,6.3376;-3.2596,-1.9358,7.7156;.466,1.6564,11.2358;-.1878,2.4399,10.8141;1.454,1.7433,10.745;.6026,1.8771,12.3104;-.1368,.2685,11.0153;.5011,-.4912,11.5038;-1.1267,.216,11.5023;-.3093,-.1001,9.5378;-.6207,-1.1588,9.4477;.6539,-.0222,9.0004;-1.3381,.7857,8.8503;-2.4234,1.0327,9.3463;-.967,1.3922,7.99;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604677361422</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001091555040 0.000261139591 0.025658883327 0.008703786947</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001182281 0.000056173 0.000132441 0.000195841 0.000255711 0.000387219 0.000479339 0.001114897 0.001274265 0.001570061 0.002024575 0.002626512 0.003067911 0.003424660 0.004359431 0.005416282 0.005828507 0.006687865 0.007692583 0.008702161 0.009401417 0.011785766 0.012927305 0.018201766 0.019763037 0.021156839 0.024457222 0.027062144 0.029966255 0.032899321 0.033665285 0.033967207 0.034847744 0.036587872 0.040683753 0.044219179 0.046388602 0.046687073 0.047622990 0.051316285 0.052143062 0.052406772 0.054655060 0.057576371 0.059052463 0.059986209 0.067229384 0.068628750 0.072150953 0.072598475 0.074910490 0.077422144 0.077738337 0.079780870 0.082288331 0.082997272 0.088659953 0.098134825 0.100034189 0.101106916 0.106631883 0.109344730 0.111579813 0.113286851 0.115656844 0.129662193 0.131738494 0.135438356 0.137943417 0.139436381 0.145666208 0.154762510 0.162728533 0.168872209 0.171960652 0.177988595 0.178556144 0.187600302 0.194485628 0.202257484 0.209455700 0.216589893 0.230320456 0.249567134 0.251926906 0.291203318 0.310574155 0.341409136 0.375911482 0.414748119 0.430447910 0.474881791 0.496526897 0.544266025 0.586741192 0.611813343 0.630908447 0.661847400 0.736934431 0.743703399 0.750435640 0.755711557 0.769877558 0.776939343 0.779061431 0.785009888 0.787809902 0.797331039 0.805107330 0.814406539 0.818699312 0.821787160 0.844274419 0.846410184 0.849148424 0.864108770 0.892423918 0.896168698 0.900845093 0.904810199 0.913017150 0.918949122 0.933844251 0.974355701 1.448958538 1.539446520</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="-4.11486072" y3="-1.65558978" z3="10.55350757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62400594" y3="-0.76076207" z3="10.1326325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97514535" y3="-1.64008601" z3="11.65057491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.20079191" y3="-1.57877339" z3="10.35133248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.53176543" y3="-2.9284589" z3="9.94775069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.99189557" y3="-3.82429738" z3="10.4127589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.4484962" y3="-2.98144509" z3="10.14689509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.73020509" y3="-3.03770789" z3="8.4351518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.81305561" y3="-3.09283344" z3="8.20945135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24668905" y3="-3.96456462" z3="8.07672061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.88527781" y3="-1.89163913" z3="7.46408969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09523013" y3="-0.64067933" z3="6.22572042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54041197" y3="-1.34665743" z3="6.79200632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33057644" y3="0.37431178" z3="6.40151289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.06098208" y3="-0.94019427" z3="4.72223389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.12268284" y3="-0.80557227" z3="4.42302629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.52105004" y3="-0.19013542" z3="4.15104214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.39559467" y3="-2.34654512" z3="4.33625116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47265581" y3="-2.44032408" z3="4.56615531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10822985" y3="-3.07662928" z3="4.99584682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.1438815" y3="-2.72765988" z3="2.874078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45203886" y3="-3.77968179" z3="2.72123602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.94385246" y3="-2.6947895" z3="2.6645052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87432647" y3="-1.84820254" z3="1.8583226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.95962457" y3="-1.82673725" z3="2.06753478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.51302908" y3="-0.80549213" z3="1.89015919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.73417816" y3="-2.21940996" z3="0.82641535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16902952" y3="-2.79716798" z3="7.92424377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49103894" y3="-0.75060056" z3="6.76129543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.27804982" y3="-0.11375224" z3="6.3437442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25774431" y3="-1.93330315" z3="7.71569876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.45111227" y3="1.64450848" z3="11.2425123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.2058357" y3="2.42696592" z3="10.82170855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.44221664" y3="1.74256088" z3="10.76042265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.57739403" y3="1.85772115" z3="12.32060721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13896471" y3="0.25332401" z3="11.00753388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50122824" y3="-0.50475864" z3="11.49608187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.13210283" y3="0.19038129" z3="11.48665775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.29890508" y3="-0.10851609" z3="9.5275483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.60372367" y3="-1.16702442" z3="9.43217324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.66756552" y3="-0.02351727" z3="8.99948357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.32854826" y3="0.77357615" z3="8.835768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.41441701" y3="1.02045799" z3="9.33263356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.95245629" y3="1.38908798" z3="7.98734784">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1149,-1.6556,10.5535;-3.624,-.7608,10.1326;-3.9751,-1.6401,11.6506;-5.2008,-1.5788,10.3513;-3.5318,-2.9285,9.9478;-3.9919,-3.8243,10.4128;-2.4485,-2.9814,10.1469;-3.7302,-3.0377,8.4352;-4.8131,-3.0928,8.2095;-3.2467,-3.9646,8.0767;-1.8853,-1.8916,7.4641;-.0952,-.6407,6.2257;.5404,-1.3467,6.792;.3306,.3743,6.4015;.061,-.9402,4.7222;1.1227,-.8056,4.423;-.5211,-.1901,4.151;-.3956,-2.3465,4.3363;-1.4727,-2.4403,4.5662;.1082,-3.0766,4.9958;-.1439,-2.7277,2.8741;-.452,-3.7797,2.7212;.9439,-2.6948,2.6645;-.8743,-1.8482,1.8583;-1.9596,-1.8267,2.0675;-.513,-.8055,1.8902;-.7342,-2.2194,.8264;-1.169,-2.7972,7.9242;-1.491,-.7506,6.7613;-2.278,-.1138,6.3437;-3.2577,-1.9333,7.7157;.4511,1.6445,11.2425;-.2058,2.427,10.8217;1.4422,1.7426,10.7604;.5774,1.8577,12.3206;-.139,.2533,11.0075;.5012,-.5048,11.4961;-1.1321,.1904,11.4867;-.2989,-.1085,9.5275;-.6037,-1.167,9.4322;.6676,-.0235,8.9995;-1.3285,.7736,8.8358;-2.4144,1.0205,9.3326;-.9525,1.3891,7.9873;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604743363286</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001533292018 0.000315390717 0.030690259303 0.008702683903</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001182665 -0.000189449 0.000122279 0.000198561 0.000233015 0.000440321 0.000514892 0.001114571 0.001260391 0.001573727 0.002024573 0.002626460 0.003083883 0.003457609 0.004362223 0.005416573 0.005856825 0.006688258 0.007716478 0.008722302 0.009519474 0.011822361 0.012997974 0.018204484 0.019766457 0.021159301 0.024474839 0.027061685 0.030004840 0.032899522 0.033665411 0.033971649 0.034850077 0.036589445 0.040683726 0.044218325 0.046388645 0.046687237 0.047622213 0.051317609 0.052143418 0.052418840 0.054665173 0.057577454 0.059050932 0.059983296 0.067229373 0.068628164 0.072151481 0.072598621 0.074911395 0.077423083 0.077743308 0.079780660 0.082287857 0.082997357 0.088660798 0.098134682 0.100034193 0.101108810 0.106632106 0.109344421 0.111579512 0.113286798 0.115656790 0.129667011 0.131741027 0.135441539 0.137943248 0.139436942 0.145677070 0.154821658 0.162727677 0.168871765 0.171961033 0.177996535 0.178555392 0.187600162 0.194491031 0.202251724 0.209474250 0.216756574 0.230410423 0.249596215 0.251927892 0.291207004 0.310598354 0.341413572 0.376123080 0.414749645 0.430447882 0.474883226 0.496540673 0.544266215 0.586742297 0.611813574 0.630927751 0.661847801 0.736940565 0.743867010 0.750435670 0.755714611 0.769877772 0.776980098 0.779117287 0.785011392 0.787812708 0.797331144 0.805107390 0.814406512 0.818708123 0.821787182 0.844335612 0.846413040 0.849151199 0.864110709 0.892426173 0.896173741 0.900849447 0.904816398 0.913016323 0.918953395 0.933844567 0.974366925 1.448958900 1.539449588</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="-4.11153416" y3="-1.64600758" z3="10.55211323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.62087321" y3="-0.75202688" z3="10.12918886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.97161693" y3="-1.62811718" z3="11.64907991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19758198" y3="-1.57085467" z3="10.34999608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.52717412" y3="-2.91943366" z3="9.94883439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.9845431" y3="-3.81510425" z3="10.41682781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.44339427" y3="-2.96970928" z3="10.14656911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.7279427" y3="-3.03275031" z3="8.43694508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.8110308" y3="-3.08826242" z3="8.21286685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.24454129" y3="-3.95991655" z3="8.07954626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.88501395" y3="-1.88947444" z3="7.45964268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09549076" y3="-0.63297008" z3="6.22694043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54362568" y3="-1.33767814" z3="6.79090539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32991987" y3="0.38259798" z3="6.39976551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.05408495" y3="-0.93441451" z3="4.72321715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.1141251" y3="-0.79788577" z3="4.41897496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.53229959" y3="-0.18675784" z3="4.1534184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.40066787" y3="-2.34242433" z3="4.34185894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47791184" y3="-2.43656742" z3="4.56976824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.1020544" y3="-3.06925393" z3="5.00546326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.14525301" y3="-2.72871199" z3="2.88178222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45082092" y3="-3.78173085" z3="2.73243308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.94266884" y3="-2.69440735" z3="2.67462505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87498472" y3="-1.85485543" z3="1.86102862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.96101573" y3="-1.83712048" z3="2.06596158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.51784142" y3="-0.81086526" z3="1.89170469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.72937391" y3="-2.22807536" z3="0.83060395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.17018323" y3="-2.80115208" z3="7.90663016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.48877168" y3="-0.74221156" z3="6.76943526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.27586515" y3="-0.10199132" z3="6.35716849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25624889" y3="-1.92952247" z3="7.71507398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4335392" y3="1.63538935" z3="11.24524481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.22770245" y3="2.40892705" z3="10.81718279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.42865314" y3="1.74353938" z3="10.7730437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.54670377" y3="1.85097164" z3="12.32317746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.13972384" y3="0.2391672" z3="11.00337051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50489925" y3="-0.51372067" z3="11.49378872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.13598063" y3="0.16435339" z3="11.47446999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.28460232" y3="-0.1166186" z3="9.5199234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.57518766" y3="-1.18065925" z3="9.41426537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.68556229" y3="-0.01460723" z3="8.99704985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.31947195" y3="0.76133713" z3="8.82739559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.40698853" y3="1.00312429" z3="9.32485754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.94256568" y3="1.38583907" z3="7.98023354">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1115,-1.646,10.5521;-3.6209,-.752,10.1292;-3.9716,-1.6281,11.6491;-5.1976,-1.5709,10.35;-3.5272,-2.9194,9.9488;-3.9845,-3.8151,10.4168;-2.4434,-2.9697,10.1466;-3.7279,-3.0328,8.4369;-4.811,-3.0883,8.2129;-3.2445,-3.9599,8.0795;-1.885,-1.8895,7.4596;-.0955,-.633,6.2269;.5436,-1.3377,6.7909;.3299,.3826,6.3998;.0541,-.9344,4.7232;1.1141,-.7979,4.419;-.5323,-.1868,4.1534;-.4007,-2.3424,4.3419;-1.4779,-2.4366,4.5698;.1021,-3.0693,5.0055;-.1453,-2.7287,2.8818;-.4508,-3.7817,2.7324;.9427,-2.6944,2.6746;-.875,-1.8549,1.861;-1.961,-1.8371,2.066;-.5178,-.8109,1.8917;-.7294,-2.2281,.8306;-1.1702,-2.8012,7.9066;-1.4888,-.7422,6.7694;-2.2759,-.102,6.3572;-3.2562,-1.9295,7.7151;.4335,1.6354,11.2452;-.2277,2.4089,10.8172;1.4287,1.7435,10.773;.5467,1.851,12.3232;-.1397,.2392,11.0034;.5049,-.5137,11.4938;-1.136,.1644,11.4745;-.2846,-.1166,9.5199;-.5752,-1.1807,9.4143;.6856,-.0146,8.997;-1.3195,.7613,8.8274;-2.407,1.0031,9.3249;-.9426,1.3858,7.9802;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604791872308</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002316457953 0.000559690133 0.029622504938 0.008702605283</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001250733 -0.000782912 0.000124882 0.000193133 0.000250591 0.000475135 0.000490270 0.001114849 0.001361455 0.001573654 0.002031020 0.002626433 0.003105185 0.003477081 0.004366968 0.005417064 0.005897956 0.006697382 0.007738824 0.008757623 0.009758033 0.011892593 0.013205485 0.018208465 0.019788322 0.021200402 0.024527198 0.027076866 0.030155199 0.032900889 0.033668173 0.033979129 0.034850544 0.036609539 0.040683985 0.044220619 0.046388814 0.046687219 0.047621535 0.051322465 0.052145639 0.052454129 0.054693650 0.057577307 0.059052642 0.059996139 0.067229493 0.068631039 0.072152452 0.072605052 0.074911428 0.077423322 0.077748172 0.079780561 0.082288172 0.082998341 0.088661562 0.098134700 0.100034400 0.101109213 0.106632691 0.109346724 0.111579428 0.113286762 0.115656787 0.129685116 0.131756665 0.135449037 0.137943303 0.139441295 0.145710055 0.155001536 0.162728243 0.168874869 0.171971128 0.178005974 0.178561680 0.187613495 0.194524317 0.202294470 0.209501346 0.217069715 0.230626617 0.249686346 0.251943988 0.291209316 0.310628361 0.341418006 0.376407642 0.414752499 0.430452277 0.474918119 0.496547533 0.544275770 0.586743811 0.611814429 0.630927803 0.661853510 0.736945793 0.744094812 0.750440611 0.755730218 0.769880054 0.777126928 0.779278583 0.785013612 0.787844390 0.797331102 0.805107401 0.814413600 0.818770582 0.821787278 0.844527831 0.846420429 0.849160450 0.864120678 0.892430036 0.896271031 0.900854243 0.904844761 0.913042753 0.918970910 0.933845139 0.974657840 1.448960074 1.539585299</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="-4.10800717" y3="-1.63517201" z3="10.55226464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.61925538" y3="-0.74128366" z3="10.12663775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96744411" y3="-1.61427607" z3="11.64912585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19443521" y3="-1.56331076" z3="10.35069925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.52084056" y3="-2.90874287" z3="9.95192319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.97492447" y3="-3.80439967" z3="10.42309508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.43668262" y3="-2.95543702" z3="10.14834802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.72337919" y3="-3.0273888" z3="8.44072044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80666566" y3="-3.08531702" z3="8.21822591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23900652" y3="-3.95498148" z3="8.08578208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.88373066" y3="-1.88375602" z3="7.45789331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09802146" y3="-0.62457679" z3="6.21899697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.54357249" y3="-1.32668303" z3="6.78323946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32556352" y3="0.3920549" z3="6.38845018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0486453" y3="-0.93039068" z3="4.71618854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.10708705" y3="-0.79129" z3="4.40828025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.54196193" y3="-0.18700712" z3="4.14554087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.40212387" y3="-2.34162615" z3="4.34186385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.47937941" y3="-2.4376257" z3="4.5694114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10220923" y3="-3.06373093" z3="5.00957637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.14399187" y3="-2.73354104" z3="2.88400809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44508197" y3="-3.78851768" z3="2.73865405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.94414073" y3="-2.69536828" z3="2.67805361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87620158" y3="-1.86600088" z3="1.85959274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.96257726" y3="-1.85291705" z3="2.06291369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.52417182" y3="-0.82023948" z3="1.88826193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.72709645" y3="-2.24098811" z3="0.83047711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16579196" y3="-2.79405407" z3="7.90716299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.49011127" y3="-0.73380208" z3="6.76533103">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.27871934" y3="-0.09433686" z3="6.35540795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.25421555" y3="-1.92587712" z3="7.71402195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.41806867" y3="1.62356356" z3="11.26039335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.24872108" y3="2.39754194" z3="10.8388759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.4142287" y3="1.74736633" z3="10.79479773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.52314493" y3="1.82534666" z3="12.34340174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14043826" y3="0.22382621" z3="10.99871211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50890369" y3="-0.52881338" z3="11.48442666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.13752462" y3="0.13473088" z3="11.4648583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.27739731" y3="-0.11947848" z3="9.51220045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.56414571" y3="-1.18028116" z3="9.40091529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.69331178" y3="-0.01182209" z3="8.99742145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.31265266" y3="0.75866643" z3="8.82017411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.40025962" y3="0.99961827" z3="9.31929905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.93228131" y3="1.38970569" z3="7.98674817">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.108,-1.6352,10.5523;-3.6193,-.7413,10.1266;-3.9674,-1.6143,11.6491;-5.1944,-1.5633,10.3507;-3.5208,-2.9087,9.9519;-3.9749,-3.8044,10.4231;-2.4367,-2.9554,10.1483;-3.7234,-3.0274,8.4407;-4.8067,-3.0853,8.2182;-3.239,-3.955,8.0858;-1.8837,-1.8838,7.4579;-.098,-.6246,6.219;.5436,-1.3267,6.7832;.3256,.3921,6.3885;.0486,-.9304,4.7162;1.1071,-.7913,4.4083;-.542,-.187,4.1455;-.4021,-2.3416,4.3419;-1.4794,-2.4376,4.5694;.1022,-3.0637,5.0096;-.144,-2.7335,2.884;-.4451,-3.7885,2.7387;.9441,-2.6954,2.6781;-.8762,-1.866,1.8596;-1.9626,-1.8529,2.0629;-.5242,-.8202,1.8883;-.7271,-2.241,.8305;-1.1658,-2.7941,7.9072;-1.4901,-.7338,6.7653;-2.2787,-.0943,6.3554;-3.2542,-1.9259,7.714;.4181,1.6236,11.2604;-.2487,2.3975,10.8389;1.4142,1.7474,10.7948;.5231,1.8253,12.3434;-.1404,.2238,10.9987;.5089,-.5288,11.4844;-1.1375,.1347,11.4649;-.2774,-.1195,9.5122;-.5641,-1.1803,9.4009;.6933,-.0118,8.9974;-1.3127,.7587,8.8202;-2.4003,.9996,9.3193;-.9323,1.3897,7.9867;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604840964590</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002888192958 0.000689850955 0.027198235797 0.008705420079</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.001957606 -0.000563613 0.000124669 0.000193345 0.000264453 0.000476056 0.000497742 0.001114888 0.001365346 0.001576343 0.002034357 0.002626384 0.003104256 0.003477215 0.004372596 0.005421119 0.005935809 0.006694903 0.007786178 0.008754771 0.009897331 0.011973198 0.013597776 0.018232026 0.019809105 0.021257753 0.024598408 0.027133232 0.030321655 0.032901641 0.033671491 0.033988286 0.034852602 0.036647408 0.040685130 0.044239099 0.046389016 0.046689703 0.047635215 0.051328234 0.052149918 0.052496070 0.054747998 0.057579628 0.059055320 0.060016485 0.067229636 0.068639536 0.072152702 0.072611164 0.074912140 0.077423100 0.077747084 0.079780394 0.082291021 0.083007087 0.088665024 0.098135998 0.100034431 0.101109220 0.106633475 0.109353908 0.111579177 0.113286941 0.115656970 0.129717889 0.131780564 0.135459275 0.137943515 0.139445409 0.145734517 0.155278302 0.162731674 0.168877983 0.171980166 0.178032619 0.178564005 0.187644807 0.194553246 0.202299934 0.209597953 0.217479891 0.230901223 0.249709782 0.251977512 0.291209085 0.310674008 0.341422826 0.377207933 0.414761915 0.430458449 0.474977046 0.496594015 0.544287945 0.586745800 0.611818648 0.630938646 0.661866488 0.736948449 0.744686979 0.750447761 0.755775336 0.769882647 0.777356538 0.779598122 0.785014298 0.787913185 0.797331032 0.805107419 0.814434489 0.818959293 0.821787668 0.844937085 0.846447211 0.849179974 0.864128042 0.892437909 0.896371429 0.900857849 0.904887126 0.913041578 0.919022702 0.933845512 0.975186591 1.448965012 1.539799520</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="-4.10371914" y3="-1.63073747" z3="10.54998335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.61549829" y3="-0.736818" z3="10.12327741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.96206921" y3="-1.60991434" z3="11.6467002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.19047122" y3="-1.56040966" z3="10.34951447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.51584712" y3="-2.90379406" z3="9.94923897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.96838564" y3="-3.8003294" z3="10.42016269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.43151488" y3="-2.9496111" z3="10.14574735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.71912879" y3="-3.02207118" z3="8.4383029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.80231528" y3="-3.07732314" z3="8.21568057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23609815" y3="-3.94960061" z3="8.08187141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.87917063" y3="-1.88120464" z3="7.45490191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.09228153" y3="-0.61691772" z3="6.22601325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55263247" y3="-1.31971009" z3="6.78573107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33443954" y3="0.39899023" z3="6.39046346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.04180351" y3="-0.92512526" z3="4.72247537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.09858857" y3="-0.78563216" z3="4.40794291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.55278686" y3="-0.18243552" z3="4.15451657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.40917686" y3="-2.33746315" z3="4.35046889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.48703519" y3="-2.43432423" z3="4.5763277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09467999" y3="-3.05854388" z3="5.01961034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.14906307" y3="-2.73258737" z3="2.89340545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.44960268" y3="-3.78812006" z3="2.75026973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.9394648" y3="-2.69495001" z3="2.68896896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.87969544" y3="-1.86859464" z3="1.86472175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.96691569" y3="-1.85666567" z3="2.06437028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.52911082" y3="-0.82208125" z3="1.89143821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.727011" y3="-2.24644744" z3="0.83697189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16489476" y3="-2.80157724" z3="7.88212819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47933006" y3="-0.71880746" z3="6.78707348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.26784493" y3="-0.07873401" z3="6.37728903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24747638" y3="-1.92009197" z3="7.71316503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.4046161" y3="1.62050781" z3="11.25211052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.26347358" y3="2.38771367" z3="10.82301481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.40274016" y3="1.74721167" z3="10.79207757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.50357919" y3="1.82832767" z3="12.33320165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.1462155" y3="0.21823539" z3="10.99422719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50384682" y3="-0.52796564" z3="11.48799645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.14611453" y3="0.12697834" z3="11.45363767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.27175633" y3="-0.13391979" z3="9.50899248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.55162295" y3="-1.19871892" z3="9.40094643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.70362475" y3="-0.0224318" z3="8.99985004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.30736596" y3="0.73583649" z3="8.80467975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.40007268" y3="0.97242003" z3="9.2978242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.91531252" y3="1.38682488" z3="7.9850813">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.1037,-1.6307,10.55;-3.6155,-.7368,10.1233;-3.9621,-1.6099,11.6467;-5.1905,-1.5604,10.3495;-3.5158,-2.9038,9.9492;-3.9684,-3.8003,10.4202;-2.4315,-2.9496,10.1457;-3.7191,-3.0221,8.4383;-4.8023,-3.0773,8.2157;-3.2361,-3.9496,8.0819;-1.8792,-1.8812,7.4549;-.0923,-.6169,6.226;.5526,-1.3197,6.7857;.3344,.399,6.3905;.0418,-.9251,4.7225;1.0986,-.7856,4.4079;-.5528,-.1824,4.1545;-.4092,-2.3375,4.3505;-1.487,-2.4343,4.5763;.0947,-3.0585,5.0196;-.1491,-2.7326,2.8934;-.4496,-3.7881,2.7503;.9395,-2.695,2.689;-.8797,-1.8686,1.8647;-1.9669,-1.8567,2.0644;-.5291,-.8221,1.8914;-.727,-2.2464,.837;-1.1649,-2.8016,7.8821;-1.4793,-.7188,6.7871;-2.2678,-.0787,6.3773;-3.2475,-1.9201,7.7132;.4046,1.6205,11.2521;-.2635,2.3877,10.823;1.4027,1.7472,10.7921;.5036,1.8283,12.3332;-.1462,.2182,10.9942;.5038,-.528,11.488;-1.1461,.127,11.4536;-.2718,-.1339,9.509;-.5516,-1.1987,9.4009;.7036,-.0224,8.9999;-1.3074,.7358,8.8047;-2.4001,.9724,9.2978;-.9153,1.3868,7.9851;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604880698226</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002059719311 0.000390532483 0.029682064107 0.008702204332</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002878626 -0.000097042 0.000128272 0.000194157 0.000261800 0.000491242 0.000630827 0.001115544 0.001376898 0.001583390 0.002034049 0.002626409 0.003104717 0.003483134 0.004374829 0.005426765 0.005951256 0.006694579 0.007818119 0.008763983 0.009883788 0.011972927 0.013662306 0.018252814 0.019816737 0.021276444 0.024616604 0.027173746 0.030396980 0.032901971 0.033681873 0.033993038 0.034877562 0.036649945 0.040685289 0.044242958 0.046389144 0.046693038 0.047644300 0.051340037 0.052152739 0.052521048 0.054768989 0.057578806 0.059060510 0.060032990 0.067229963 0.068637651 0.072155336 0.072612813 0.074912832 0.077425116 0.077752600 0.079780386 0.082296030 0.083023626 0.088666405 0.098136180 0.100034624 0.101109639 0.106634888 0.109361255 0.111580859 0.113287687 0.115657079 0.129726764 0.131783841 0.135462406 0.137943575 0.139448823 0.145745677 0.155406750 0.162740424 0.168880447 0.171984508 0.178049452 0.178565298 0.187665005 0.194563185 0.202328311 0.209656751 0.217596839 0.231027891 0.249732743 0.252012327 0.291214355 0.310680553 0.341432894 0.377273963 0.414763808 0.430465031 0.475016143 0.496607105 0.544295668 0.586746902 0.611825354 0.630960454 0.661872147 0.736949204 0.744905064 0.750450342 0.755795074 0.769882647 0.777425865 0.779718855 0.785015136 0.787928006 0.797331026 0.805107496 0.814448514 0.819058947 0.821787799 0.845049245 0.846455656 0.849185181 0.864128996 0.892445910 0.896398051 0.900860664 0.904917646 0.913053005 0.919073200 0.933846185 0.975577898 1.449061248 1.539923678</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="-4.09990579" y3="-1.62476948" z3="10.54908741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.61396347" y3="-0.72996274" z3="10.12174282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.95708591" y3="-1.60363509" z3="11.64561939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.1870885" y3="-1.55773633" z3="10.34976587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.50863718" y3="-2.89575787" z3="9.94733797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.95720369" y3="-3.79408664" z3="10.41862504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.42375996" y3="-2.93792602" z3="10.14232468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.71376439" y3="-3.01430456" z3="8.43681455">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.79715394" y3="-3.06894349" z3="8.21525334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.23119248" y3="-3.9416195" z3="8.07949483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.87513075" y3="-1.87545329" z3="7.44968112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08825" y3="-0.60811477" z3="6.22205804">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.55893497" y3="-1.3096523" z3="6.78058172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33894336" y3="0.40795302" z3="6.3822489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.03851422" y3="-0.92160005" z3="4.71910325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.09347081" y3="-0.78465881" z3="4.39862839">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.55782824" y3="-0.18061003" z3="4.15137709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.41581479" y3="-2.33455092" z3="4.35531241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49369689" y3="-2.42684025" z3="4.58011382">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08439117" y3="-3.05251416" z3="5.0299783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.15481491" y3="-2.73840188" z3="2.90102625">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45649765" y3="-3.79397062" z3="2.76327233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.93370128" y3="-2.70319514" z3="2.69789032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.88277917" y3="-1.87865758" z3="1.86740184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.97002074" y3="-1.86566256" z3="2.06500785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.53204055" y3="-0.83250693" z3="1.89098411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.72811773" y3="-2.26025838" z3="0.84148326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.16183052" y3="-2.80106633" z3="7.86726729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.47309893" y3="-0.7060633" z3="6.79048077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.26169467" y3="-0.06443979" z3="6.38365577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.24192498" y3="-1.91217929" z3="7.71143875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.38422222" y3="1.61315593" z3="11.26039463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.29315564" y3="2.37500387" z3="10.83472892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.38230045" y3="1.75511591" z3="10.80349008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.47676747" y3="1.81484451" z3="12.34379315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.14766207" y3="0.20498305" z3="10.99169311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50889148" y3="-0.53726259" z3="11.48402106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.14877153" y3="0.09909171" z3="11.44654854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.26195989" y3="-0.14015159" z3="9.50310678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.53170553" y3="-1.20725187" z3="9.39033916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.71544398" y3="-0.01774995" z3="8.9993326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.30031801" y3="0.72805154" z3="8.79705873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.39468031" y3="0.96185793" z3="9.29179373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.90239441" y3="1.39088396" z3="7.99101487">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0999,-1.6248,10.5491;-3.614,-.73,10.1217;-3.9571,-1.6036,11.6456;-5.1871,-1.5577,10.3498;-3.5086,-2.8958,9.9473;-3.9572,-3.7941,10.4186;-2.4238,-2.9379,10.1423;-3.7138,-3.0143,8.4368;-4.7972,-3.0689,8.2153;-3.2312,-3.9416,8.0795;-1.8751,-1.8755,7.4497;-.0882,-.6081,6.2221;.5589,-1.3097,6.7806;.3389,.408,6.3822;.0385,-.9216,4.7191;1.0935,-.7847,4.3986;-.5578,-.1806,4.1514;-.4158,-2.3346,4.3553;-1.4937,-2.4268,4.5801;.0844,-3.0525,5.03;-.1548,-2.7384,2.901;-.4565,-3.794,2.7633;.9337,-2.7032,2.6979;-.8828,-1.8787,1.8674;-1.97,-1.8657,2.065;-.532,-.8325,1.891;-.7281,-2.2603,.8415;-1.1618,-2.8011,7.8673;-1.4731,-.7061,6.7905;-2.2617,-.0644,6.3837;-3.2419,-1.9122,7.7114;.3842,1.6132,11.2604;-.2932,2.375,10.8347;1.3823,1.7551,10.8035;.4768,1.8148,12.3438;-.1477,.205,10.9917;.5089,-.5373,11.484;-1.1488,.0991,11.4465;-.262,-.1402,9.5031;-.5317,-1.2073,9.3903;.7154,-.0177,8.9993;-1.3003,.7281,8.7971;-2.3947,.9619,9.2918;-.9024,1.3909,7.991;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604929752307</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001376792209 0.000223523127 0.023234733357 0.008704732963</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002863328 -0.000312830 0.000127014 0.000201171 0.000300171 0.000521491 0.000795711 0.001116214 0.001378874 0.001603433 0.002057829 0.002627325 0.003105835 0.003484871 0.004375622 0.005435851 0.005950797 0.006698608 0.007817504 0.008788308 0.009923501 0.011977836 0.013660960 0.018254720 0.019815848 0.021274695 0.024617426 0.027182032 0.030406538 0.032902054 0.033687362 0.033996879 0.034907321 0.036649868 0.040685248 0.044246930 0.046389223 0.046692841 0.047651339 0.051339963 0.052152557 0.052519161 0.054771457 0.057584305 0.059060149 0.060034907 0.067229702 0.068642653 0.072156587 0.072621954 0.074912220 0.077427016 0.077756764 0.079780638 0.082297861 0.083037064 0.088667767 0.098136522 0.100035001 0.101109563 0.106636322 0.109361494 0.111584286 0.113288180 0.115657014 0.129726923 0.131784162 0.135462204 0.137943764 0.139448620 0.145745397 0.155402181 0.162745709 0.168880018 0.171985430 0.178051757 0.178565927 0.187670153 0.194562630 0.202330893 0.209696494 0.217592181 0.231021440 0.249972096 0.252015329 0.291230017 0.310680679 0.341433404 0.377274656 0.414764750 0.430465569 0.475020741 0.496608131 0.544295983 0.586746919 0.611831179 0.631000697 0.661872771 0.736949936 0.744925174 0.750450395 0.755799903 0.769883232 0.777426670 0.779717708 0.785022898 0.787930431 0.797331029 0.805107969 0.814448828 0.819063015 0.821787863 0.845051814 0.846455584 0.849185173 0.864136971 0.892446076 0.896398754 0.900862147 0.904917787 0.913060100 0.919090266 0.933846302 0.975614761 1.449150841 1.539934241</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="-4.09406897" y3="-1.61796113" z3="10.54971929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.612147" y3="-0.72150555" z3="10.12095751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.94847426" y3="-1.59667561" z3="11.64590965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.18206698" y3="-1.55524409" z3="10.35328067">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.49962034" y3="-2.88657504" z3="9.94607447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.94348671" y3="-3.78685662" z3="10.41812346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.41413918" y3="-2.92499148" z3="10.13875532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.70789795" y3="-3.00540178" z3="8.43600584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.79165409" y3="-3.05979372" z3="8.21641562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22578723" y3="-3.93231338" z3="8.07733581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.87180584" y3="-1.86783001" z3="7.44350694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08725511" y3="-0.59631663" z3="6.21758555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56456479" y3="-1.29511369" z3="6.77430262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33926074" y3="0.42090872" z3="6.37142875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0308424" y3="-0.9155925" z3="4.71517673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.08396718" y3="-0.77555387" z3="4.38867562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.57172044" y3="-0.1790768" z3="4.14752637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.41901199" y3="-2.33277386" z3="4.35856769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49740828" y3="-2.42871693" z3="4.5829751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08379465" y3="-3.04588297" z3="5.03696224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.15552385" y3="-2.74338275" z3="2.90651817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45237979" y3="-3.8016223" z3="2.77436056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.93348944" y3="-2.70431282" z3="2.70400053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.88697749" y3="-1.8924141" z3="1.86735189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.97521462" y3="-1.88478639" z3="2.06265511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.54213531" y3="-0.84355333" z3="1.88636874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.72825525" y3="-2.27843274" z3="0.84358453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.1593291" y3="-2.79911062" z3="7.84750765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46803777" y3="-0.69164392" z3="6.79689106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25737839" y3="-0.04827882" z3="6.39387033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23685323" y3="-1.90272418" z3="7.7102688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.36878656" y3="1.6012348" z3="11.27071589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.31024357" y3="2.35937939" z3="10.84378706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.36879214" y3="1.75175308" z3="10.82248133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.45353274" y3="1.79745605" z3="12.35526731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.15395078" y3="0.192878" z3="10.9909027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50264578" y3="-0.54733875" z3="11.48518616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.1570577" y3="0.08020856" z3="11.43695799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.25784604" y3="-0.14704487" z3="9.50116703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.52663566" y3="-1.21210651" z3="9.38543918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.72215359" y3="-0.02364839" z3="9.00664501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.29215375" y3="0.72086018" z3="8.78867909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.38780778" y3="0.95697772" z3="9.28019968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.88586732" y3="1.39230694" z3="7.99228183">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0941,-1.618,10.5497;-3.6121,-.7215,10.121;-3.9485,-1.5967,11.6459;-5.1821,-1.5552,10.3533;-3.4996,-2.8866,9.9461;-3.9435,-3.7869,10.4181;-2.4141,-2.925,10.1388;-3.7079,-3.0054,8.436;-4.7917,-3.0598,8.2164;-3.2258,-3.9323,8.0773;-1.8718,-1.8678,7.4435;-.0873,-.5963,6.2176;.5646,-1.2951,6.7743;.3393,.4209,6.3714;.0308,-.9156,4.7152;1.084,-.7756,4.3887;-.5717,-.1791,4.1475;-.419,-2.3328,4.3586;-1.4974,-2.4287,4.583;.0838,-3.0459,5.037;-.1555,-2.7434,2.9065;-.4524,-3.8016,2.7744;.9335,-2.7043,2.704;-.887,-1.8924,1.8674;-1.9752,-1.8848,2.0627;-.5421,-.8436,1.8864;-.7283,-2.2784,.8436;-1.1593,-2.7991,7.8475;-1.468,-.6916,6.7969;-2.2574,-.0483,6.3939;-3.2369,-1.9027,7.7103;.3688,1.6012,11.2707;-.3102,2.3594,10.8438;1.3688,1.7518,10.8225;.4535,1.7975,12.3553;-.154,.1929,10.9909;.5026,-.5473,11.4852;-1.1571,.0802,11.437;-.2578,-.147,9.5012;-.5266,-1.2121,9.3854;.7222,-.0236,9.0066;-1.2922,.7209,8.7887;-2.3878,.957,9.2802;-.8859,1.3923,7.9923;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604968754770</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001606822359 0.000350256859 0.027046178861 0.008702462895</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002853402 -0.000433198 0.000127318 0.000207071 0.000293547 0.000517512 0.000992617 0.001131325 0.001451925 0.001632492 0.002158441 0.002630871 0.003105754 0.003494195 0.004375590 0.005446939 0.005974166 0.006702955 0.007819142 0.008856516 0.009943805 0.011978874 0.013660527 0.018254542 0.019822666 0.021275550 0.024620605 0.027184621 0.030418400 0.032902461 0.033699785 0.034014351 0.034956354 0.036654847 0.040685167 0.044250732 0.046393251 0.046696016 0.047649760 0.051342366 0.052152911 0.052519766 0.054785585 0.057590830 0.059073328 0.060062921 0.067229988 0.068666174 0.072157016 0.072633482 0.074912907 0.077429498 0.077760482 0.079781948 0.082301939 0.083052362 0.088668055 0.098137071 0.100036228 0.101109536 0.106638529 0.109361435 0.111589501 0.113288536 0.115656926 0.129727317 0.131788237 0.135462160 0.137945003 0.139451093 0.145746741 0.155413430 0.162750867 0.168880540 0.171985645 0.178078382 0.178570787 0.187670488 0.194563153 0.202368144 0.209782662 0.217591532 0.231023018 0.250244902 0.252030713 0.291253639 0.310682389 0.341435793 0.377282108 0.414764721 0.430466220 0.475027730 0.496620648 0.544296356 0.586747074 0.611837565 0.631205756 0.661872915 0.736949554 0.745150192 0.750451739 0.755811813 0.769884366 0.777426906 0.779721559 0.785040135 0.787941957 0.797330926 0.805109797 0.814450676 0.819082743 0.821789595 0.845051077 0.846455671 0.849185886 0.864146798 0.892446306 0.896409169 0.900862344 0.904930465 0.913082166 0.919125436 0.933847102 0.975755986 1.449344728 1.539973873</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="-4.08845377" y3="-1.61215892" z3="10.54966945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60830946" y3="-0.71501039" z3="10.12033916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.94065088" y3="-1.59140735" z3="11.64556097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.17688297" y3="-1.5513068" z3="10.35553826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.49289375" y3="-2.87923206" z3="9.94400973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.93379404" y3="-3.78072114" z3="10.41623979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.40699414" y3="-2.91547337" z3="10.13439579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.70406752" y3="-2.99772896" z3="8.43441668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.78808102" y3="-3.05102144" z3="8.21653077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.22317462" y3="-3.92467096" z3="8.07430522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86952" y3="-1.86094116" z3="7.44010519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08531946" y3="-0.58920413" z3="6.21343244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56808173" y3="-1.28583389" z3="6.7707795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34115228" y3="0.42834419" z3="6.36254387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.02831162" y3="-0.91442711" z3="4.71187269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.08009675" y3="-0.7762745" z3="4.38153435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.57526416" y3="-0.18008896" z3="4.14331035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42289273" y3="-2.33215471" z3="4.36198886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50070818" y3="-2.42591733" z3="4.58723885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07911539" y3="-3.04250689" z3="5.04303356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.16041636" y3="-2.7494904" z3="2.91172277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4586278" y3="-3.80724297" z3="2.78457928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.92800685" y3="-2.71295783" z3="2.70858563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.89044676" y3="-1.90274994" z3="1.86914605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.97797859" y3="-1.893118" z3="2.06471654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.54451305" y3="-0.85498883" z3="1.88374035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.73219504" y3="-2.2929498" z3="0.84706181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15704297" y3="-2.79417163" z3="7.84015241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46453006" y3="-0.68088576" z3="6.79779144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25380221" y3="-0.03790205" z3="6.39496475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23323188" y3="-1.89506168" z3="7.70810605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.34965536" y3="1.59235465" z3="11.28436792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.33540998" y3="2.35025843" z3="10.86408888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.34978263" y3="1.75722079" z3="10.83980687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.4289982" y3="1.77754601" z3="12.37196009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.15804451" y3="0.18051973" z3="10.98854391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50310697" y3="-0.5588116" z3="11.47951716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.16344776" y3="0.05349749" z3="11.42874932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.24703332" y3="-0.14718243" z3="9.49415376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.49958948" y3="-1.21831906" z3="9.36540404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.73748156" y3="-0.00396176" z3="9.0056701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.28651046" y3="0.71764118" z3="8.78189753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.38281173" y3="0.9508022" z3="9.27691678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.87951245" y3="1.39707643" z3="7.99388394">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0885,-1.6122,10.5497;-3.6083,-.715,10.1203;-3.9407,-1.5914,11.6456;-5.1769,-1.5513,10.3555;-3.4929,-2.8792,9.944;-3.9338,-3.7807,10.4162;-2.407,-2.9155,10.1344;-3.7041,-2.9977,8.4344;-4.7881,-3.051,8.2165;-3.2232,-3.9247,8.0743;-1.8695,-1.8609,7.4401;-.0853,-.5892,6.2134;.5681,-1.2858,6.7708;.3412,.4283,6.3625;.0283,-.9144,4.7119;1.0801,-.7763,4.3815;-.5753,-.1801,4.1433;-.4229,-2.3322,4.362;-1.5007,-2.4259,4.5872;.0791,-3.0425,5.043;-.1604,-2.7495,2.9117;-.4586,-3.8072,2.7846;.928,-2.713,2.7086;-.8904,-1.9027,1.8691;-1.978,-1.8931,2.0647;-.5445,-.855,1.8837;-.7322,-2.2929,.8471;-1.157,-2.7942,7.8402;-1.4645,-.6809,6.7978;-2.2538,-.0379,6.395;-3.2332,-1.8951,7.7081;.3497,1.5924,11.2844;-.3354,2.3503,10.8641;1.3498,1.7572,10.8398;.429,1.7775,12.372;-.158,.1805,10.9885;.5031,-.5588,11.4795;-1.1634,.0535,11.4287;-.247,-.1472,9.4942;-.4996,-1.2183,9.3654;.7375,-.004,9.0057;-1.2865,.7176,8.7819;-2.3828,.9508,9.2769;-.8795,1.3971,7.9939;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.604995107990</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002277515560 0.000493775242 0.025958498407 0.008705419250</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.002800550 -0.000685851 0.000129070 0.000206571 0.000295588 0.000516895 0.001020253 0.001136238 0.001533699 0.001700277 0.002237892 0.002631879 0.003112152 0.003585293 0.004375714 0.005447678 0.006041591 0.006720151 0.007842136 0.008943301 0.010002418 0.011990612 0.013688086 0.018272254 0.019869095 0.021277168 0.024629187 0.027184878 0.030447981 0.032904651 0.033734685 0.034051290 0.035048611 0.036668417 0.040686248 0.044257924 0.046407170 0.046712327 0.047649593 0.051340667 0.052153132 0.052517997 0.054790171 0.057607297 0.059131457 0.060217651 0.067231252 0.068709017 0.072160475 0.072638165 0.074917510 0.077433303 0.077759289 0.079784960 0.082305339 0.083050554 0.088671481 0.098136960 0.100037079 0.101109750 0.106639724 0.109361539 0.111593998 0.113289542 0.115657019 0.129727694 0.131867464 0.135463432 0.137944865 0.139457243 0.145752634 0.155430993 0.162750586 0.168880856 0.171986434 0.178095528 0.178578343 0.187673498 0.194569671 0.202509243 0.209919847 0.217608599 0.231037770 0.250758528 0.252037001 0.291283359 0.310691402 0.341435942 0.377408501 0.414766002 0.430466666 0.475030386 0.496646970 0.544296994 0.586747597 0.611838969 0.631684059 0.661872931 0.736950063 0.745274003 0.750452199 0.755814064 0.769884450 0.777484441 0.779946494 0.785060470 0.787973931 0.797330881 0.805112826 0.814453715 0.819346269 0.821794389 0.845104433 0.846459553 0.849185845 0.864153266 0.892446363 0.896413859 0.900872373 0.904930808 0.913131055 0.919139726 0.933851668 0.975866519 1.449455512 1.540021563</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="-4.08191059" y3="-1.60402737" z3="10.55114194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.60434453" y3="-0.70601973" z3="10.12076607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.9320777" y3="-1.58254197" z3="11.64677695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.17090324" y3="-1.54562187" z3="10.35897814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.48474439" y3="-2.87006773" z3="9.94471944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.92166216" y3="-3.77249214" z3="10.41919581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.39801196" y3="-2.90314301" z3="10.13175905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.70008997" y3="-2.99010858" z3="8.43577412">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.78480967" y3="-3.04470945" z3="8.22089349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2192285" y3="-3.91689081" z3="8.0751298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8688951" y3="-1.85356993" z3="7.43401136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08780109" y3="-0.58005615" z3="6.20513818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.56933029" y3="-1.27248534" z3="6.76368687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33529625" y3="0.43972455" z3="6.34987099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.02420648" y3="-0.91061997" z3="4.70480703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.07530345" y3="-0.77023184" z3="4.37247895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.58306488" y3="-0.18046968" z3="4.13410798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42290236" y3="-2.33183044" z3="4.36162661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.500719" y3="-2.42793245" z3="4.58739222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08138133" y3="-3.03731294" z3="5.04649759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.15923925" y3="-2.75562203" z3="2.91346607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45375262" y3="-3.81562089" z3="2.79170528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.92948126" y3="-2.71616551" z3="2.7102608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.89272879" y3="-1.91649545" z3="1.86642476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.9809251" y3="-1.9104074" z3="2.06130615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.55106065" y3="-0.8665611" z3="1.87601178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.7324787" y3="-2.31137657" z3="0.84626388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15560196" y3="-2.7874904" z3="7.82944052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46545888" y3="-0.67451573" z3="6.79200579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25575969" y3="-0.02888165" z3="6.39425791">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.23211066" y3="-1.88738605" z3="7.70779753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.33409573" y3="1.57932997" z3="11.30147406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.35721177" y3="2.33216669" z3="10.88443892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.33549523" y3="1.7585238" z3="10.86475685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.40465048" y3="1.75522125" z3="12.39092966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.15849961" y3="0.16656533" z3="10.98855818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.50613076" y3="-0.57245985" z3="11.47461563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.16399793" y3="0.02753899" z3="11.42292801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.24206273" y3="-0.14718551" z3="9.49179564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4986414" y3="-1.21158866" z3="9.35891787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.74056495" y3="-0.00773835" z3="9.00999547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.27854201" y3="0.72250599" z3="8.78233777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.37270329" y3="0.95915605" z3="9.27880985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.87235779" y3="1.39828123" z3="7.98912193">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0819,-1.604,10.5511;-3.6043,-.706,10.1208;-3.9321,-1.5825,11.6468;-5.1709,-1.5456,10.359;-3.4847,-2.8701,9.9447;-3.9217,-3.7725,10.4192;-2.398,-2.9031,10.1318;-3.7001,-2.9901,8.4358;-4.7848,-3.0447,8.2209;-3.2192,-3.9169,8.0751;-1.8689,-1.8536,7.434;-.0878,-.5801,6.2051;.5693,-1.2725,6.7637;.3353,.4397,6.3499;.0242,-.9106,4.7048;1.0753,-.7702,4.3725;-.5831,-.1805,4.1341;-.4229,-2.3318,4.3616;-1.5007,-2.4279,4.5874;.0814,-3.0373,5.0465;-.1592,-2.7556,2.9135;-.4538,-3.8156,2.7917;.9295,-2.7162,2.7103;-.8927,-1.9165,1.8664;-1.9809,-1.9104,2.0613;-.5511,-.8666,1.876;-.7325,-2.3114,.8463;-1.1556,-2.7875,7.8294;-1.4655,-.6745,6.792;-2.2558,-.0289,6.3943;-3.2321,-1.8874,7.7078;.3341,1.5793,11.3015;-.3572,2.3322,10.8844;1.3355,1.7585,10.8648;.4047,1.7552,12.3909;-.1585,.1666,10.9886;.5061,-.5725,11.4746;-1.164,.0275,11.4229;-.2421,-.1472,9.4918;-.4986,-1.2116,9.3589;.7406,-.0077,9.01;-1.2785,.7225,8.7823;-2.3727,.9592,9.2788;-.8724,1.3983,7.9891;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605015582759</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003380066794 0.000583406754 0.023767194557 0.008704477419</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.003084764 -0.000929567 0.000129492 0.000207029 0.000295731 0.000541135 0.001042264 0.001142820 0.001554143 0.001711280 0.002248033 0.002636110 0.003121263 0.003672284 0.004376506 0.005447811 0.006098916 0.006732188 0.007856458 0.009195581 0.010149105 0.012023605 0.013764748 0.018319876 0.020005752 0.021278101 0.024655617 0.027186842 0.030510797 0.032908236 0.033779448 0.034109476 0.035281437 0.036692060 0.040691659 0.044288829 0.046455171 0.046782196 0.047648793 0.051350743 0.052153170 0.052536440 0.054790738 0.057625197 0.059175311 0.060359182 0.067231039 0.068718241 0.072164202 0.072636983 0.074916575 0.077435389 0.077759599 0.079784351 0.082305662 0.083068598 0.088672286 0.098137165 0.100036968 0.101110329 0.106639524 0.109362177 0.111594026 0.113290185 0.115656987 0.129727461 0.131960658 0.135466168 0.137944517 0.139485453 0.145756103 0.155503062 0.162751582 0.168880488 0.171986176 0.178121431 0.178594811 0.187677015 0.194579211 0.202587790 0.209999549 0.217632514 0.231082837 0.250846297 0.252049138 0.291303515 0.310709438 0.341435925 0.377700130 0.414768406 0.430466556 0.475034343 0.496815714 0.544297753 0.586747566 0.611842058 0.632708547 0.661872943 0.736949747 0.745600482 0.750452852 0.755825110 0.769884574 0.777547831 0.780353272 0.785071228 0.787979832 0.797330774 0.805115170 0.814458408 0.819814907 0.821800438 0.845110816 0.846459645 0.849185685 0.864151956 0.892447351 0.896441028 0.900876059 0.904938902 0.913160361 0.919151265 0.933859862 0.976114101 1.449474196 1.540087870</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="-4.07274741" y3="-1.59795772" z3="10.55090037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59736688" y3="-0.69938119" z3="10.11906303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.91948564" y3="-1.57686197" z3="11.64608134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.16240587" y3="-1.54091945" z3="10.36220394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.47581084" y3="-2.86291953" z3="9.94213749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.91082173" y3="-3.76605375" z3="10.41656857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.38885241" y3="-2.8953743" z3="10.12706159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.69431454" y3="-2.98224929" z3="8.43368614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.77938307" y3="-3.03525643" z3="8.22093213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21522328" y3="-3.90926782" z3="8.0714211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86451314" y3="-1.84601662" z3="7.43063114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08494753" y3="-0.56965782" z3="6.20115401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57470155" y3="-1.25976309" z3="6.75947923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33790053" y3="0.45054686" z3="6.34073024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.02029348" y3="-0.90613332" z3="4.70155987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06957026" y3="-0.766342" z3="4.36338995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59021696" y3="-0.17875559" z3="4.13098779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42732349" y3="-2.32900128" z3="4.36657444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50502048" y3="-2.42380307" z3="4.59249573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07630048" y3="-3.03062796" z3="5.05559443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.16344269" y3="-2.76062617" z3="2.92077305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45653909" y3="-3.82147658" z3="2.80480991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.9251308" y3="-2.72079104" z3="2.71731007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.89795161" y3="-1.92815231" z3="1.86940094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98613543" y3="-1.92331863" z3="2.06366304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.55832655" y3="-0.87779406" z3="1.87437204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.73625433" y3="-2.32738747" z3="0.85124533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15049169" y3="-2.78215488" z3="7.82258552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46058908" y3="-0.6611081" z3="6.79419429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25112297" y3="-0.01511467" z3="6.39854814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22646935" y3="-1.87978708" z3="7.70473688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.31589212" y3="1.56657899" z3="11.30878893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.3747702" y3="2.31870479" z3="10.88950036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.3180791" y3="1.74989119" z3="10.87964381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.38088328" y3="1.73774531" z3="12.39889111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.16995179" y3="0.15445155" z3="10.9878535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49471825" y3="-0.58202676" z3="11.47715257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.17811732" y3="0.00967997" z3="11.41283365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.23754313" y3="-0.15292862" z3="9.48869384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.4786662" y3="-1.2247697" z3="9.34131326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.75276184" y3="0.00619381" z3="9.01549965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.27283294" y3="0.71608547" z3="8.77408177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.36956034" y3="0.95258615" z3="9.26654386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85739551" y3="1.40070148" z3="7.99728478">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0727,-1.598,10.5509;-3.5974,-.6994,10.1191;-3.9195,-1.5769,11.6461;-5.1624,-1.5409,10.3622;-3.4758,-2.8629,9.9421;-3.9108,-3.7661,10.4166;-2.3889,-2.8954,10.1271;-3.6943,-2.9822,8.4337;-4.7794,-3.0353,8.2209;-3.2152,-3.9093,8.0714;-1.8645,-1.846,7.4306;-.0849,-.5697,6.2012;.5747,-1.2598,6.7595;.3379,.4505,6.3407;.0203,-.9061,4.7016;1.0696,-.7663,4.3634;-.5902,-.1788,4.131;-.4273,-2.329,4.3666;-1.505,-2.4238,4.5925;.0763,-3.0306,5.0556;-.1634,-2.7606,2.9208;-.4565,-3.8215,2.8048;.9251,-2.7208,2.7173;-.898,-1.9282,1.8694;-1.9861,-1.9233,2.0637;-.5583,-.8778,1.8744;-.7363,-2.3274,.8512;-1.1505,-2.7822,7.8226;-1.4606,-.6611,6.7942;-2.2511,-.0151,6.3985;-3.2265,-1.8798,7.7047;.3159,1.5666,11.3088;-.3748,2.3187,10.8895;1.3181,1.7499,10.8796;.3809,1.7377,12.3989;-.17,.1545,10.9879;.4947,-.582,11.4772;-1.1781,.0097,11.4128;-.2375,-.1529,9.4887;-.4787,-1.2248,9.3413;.7528,.0062,9.0155;-1.2728,.7161,8.7741;-2.3696,.9526,9.2665;-.8574,1.4007,7.9973;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605038941117</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004313474215 0.000714831939 0.033337579603 0.008705767114</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.003829893 -0.001076991 0.000130233 0.000208724 0.000298296 0.000541116 0.001095618 0.001202534 0.001554516 0.001717888 0.002306664 0.002638253 0.003124881 0.003685379 0.004381359 0.005449317 0.006127323 0.006732956 0.007861372 0.009539726 0.010413003 0.012074422 0.013884012 0.018379909 0.020247898 0.021278012 0.024706069 0.027198597 0.030590556 0.032911734 0.033826877 0.034141361 0.035689522 0.036738744 0.040699929 0.044355589 0.046500836 0.046917806 0.047649025 0.051381634 0.052154628 0.052597783 0.054793655 0.057636983 0.059200206 0.060436752 0.067231114 0.068715832 0.072166174 0.072636306 0.074927902 0.077435306 0.077760485 0.079799723 0.082333404 0.083199849 0.088672256 0.098137673 0.100038818 0.101116672 0.106639870 0.109368362 0.111595371 0.113290942 0.115657295 0.129727620 0.132096975 0.135470319 0.137947102 0.139518441 0.145757365 0.155678412 0.162762438 0.168880165 0.171986283 0.178152793 0.178633051 0.187677276 0.194593184 0.202610813 0.210042975 0.217637273 0.231197695 0.250839680 0.252069239 0.291311252 0.310728944 0.341438442 0.378114927 0.414769270 0.430471302 0.475043821 0.497245103 0.544309682 0.586747607 0.611850671 0.634340527 0.661874394 0.736950739 0.746026720 0.750454121 0.755853183 0.769884974 0.777593390 0.780888996 0.785073017 0.787984530 0.797330789 0.805115716 0.814464465 0.820298132 0.821806392 0.845111457 0.846459698 0.849185627 0.864158906 0.892447815 0.896477406 0.900876426 0.904953747 0.913190766 0.919185737 0.933864455 0.976563913 1.449559493 1.540152317</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="-4.06693169" y3="-1.59226896" z3="10.55206577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.59248685" y3="-0.69369165" z3="10.11949396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.9119865" y3="-1.57046563" z3="11.64695008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.15685941" y3="-1.53549728" z3="10.36501291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.47055895" y3="-2.85733328" z3="9.94298218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.90386876" y3="-3.76032119" z3="10.41943908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.38297005" y3="-2.88854837" z3="10.1251318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.69243054" y3="-2.97787308" z3="8.43508142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.77795012" y3="-3.03308553" z3="8.22492153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.21254954" y3="-3.90434819" z3="8.07249431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86651368" y3="-1.84072578" z3="7.42495958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08923777" y3="-0.56632836" z3="6.19289366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57199174" y3="-1.25226924" z3="6.75443275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32984281" y3="0.45593942" z3="6.32978021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.02034408" y3="-0.90743356" z3="4.69474199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.07021151" y3="-0.76810075" z3="4.35894536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.58903094" y3="-0.18249458" z3="4.12022542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42555248" y3="-2.33160659" z3="4.36367515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5030945" y3="-2.42636144" z3="4.59045468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07843387" y3="-3.03051983" z3="5.05499341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.16244283" y3="-2.76730621" z3="2.91914119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45514872" y3="-3.82843076" z3="2.80687837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.92561061" y3="-2.72754086" z3="2.71399596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.89891553" y3="-1.93864849" z3="1.86642594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98655439" y3="-1.93409873" z3="2.06268086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.56020516" y3="-0.88817135" z3="1.86775746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.73871993" y3="-2.3405212" z3="0.84918814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.15137263" y3="-2.77474419" z3="7.81585869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46533594" y3="-0.66206193" z3="6.78320313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25617372" y3="-0.01522421" z3="6.3893587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22830076" y3="-1.87494469" z3="7.70513335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.30578854" y3="1.55781099" z3="11.3326173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.38931264" y3="2.31189624" z3="10.92283794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.30948633" y3="1.75725416" z3="10.90860514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.36379423" y3="1.71317166" z3="12.42686197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.16824235" y3="0.14441875" z3="10.98816169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49938052" y3="-0.59701456" z3="11.46733645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.17702969" y3="-0.01495248" z3="11.4100461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.23138162" y3="-0.14224835" z3="9.48427927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.47449662" y3="-1.20916209" z3="9.32698464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.75621219" y3="0.01794025" z3="9.01468383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.26839" y3="0.7307427" z3="8.77906531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.36149205" y3="0.9686706" z3="9.2784547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.86392186" y3="1.40588596" z3="7.98414146">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0669,-1.5923,10.5521;-3.5925,-.6937,10.1195;-3.912,-1.5705,11.647;-5.1569,-1.5355,10.365;-3.4706,-2.8573,9.943;-3.9039,-3.7603,10.4194;-2.383,-2.8885,10.1251;-3.6924,-2.9779,8.4351;-4.778,-3.0331,8.2249;-3.2125,-3.9043,8.0725;-1.8665,-1.8407,7.425;-.0892,-.5663,6.1929;.572,-1.2523,6.7544;.3298,.4559,6.3298;.0203,-.9074,4.6947;1.0702,-.7681,4.3589;-.589,-.1825,4.1202;-.4256,-2.3316,4.3637;-1.5031,-2.4264,4.5905;.0784,-3.0305,5.055;-.1624,-2.7673,2.9191;-.4551,-3.8284,2.8069;.9256,-2.7275,2.714;-.8989,-1.9386,1.8664;-1.9866,-1.9341,2.0627;-.5602,-.8882,1.8678;-.7387,-2.3405,.8492;-1.1514,-2.7747,7.8159;-1.4653,-.6621,6.7832;-2.2562,-.0152,6.3894;-3.2283,-1.8749,7.7051;.3058,1.5578,11.3326;-.3893,2.3119,10.9228;1.3095,1.7573,10.9086;.3638,1.7132,12.4269;-.1682,.1444,10.9882;.4994,-.597,11.4673;-1.177,-.015,11.41;-.2314,-.1422,9.4843;-.4745,-1.2092,9.327;.7562,.0179,9.0147;-1.2684,.7307,8.7791;-2.3615,.9687,9.2785;-.8639,1.4059,7.9841;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605057941084</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002815178298 0.000562645797 0.023524020591 0.008706461537</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.004755423 -0.000477640 0.000135649 0.000210232 0.000298431 0.000544167 0.001108265 0.001235880 0.001565074 0.001746626 0.002410287 0.002641815 0.003125174 0.003692135 0.004388898 0.005452847 0.006126505 0.006736863 0.007860214 0.009772363 0.010634559 0.012103606 0.013912753 0.018407261 0.020396808 0.021282765 0.024746081 0.027218408 0.030636717 0.032912335 0.033842742 0.034142373 0.035944649 0.036761162 0.040704503 0.044417286 0.046519559 0.046995198 0.047654902 0.051392157 0.052154851 0.052618558 0.054793474 0.057635713 0.059195592 0.060432032 0.067231525 0.068739619 0.072167935 0.072636990 0.074979856 0.077435074 0.077761068 0.079840899 0.082369086 0.083342724 0.088694814 0.098143311 0.100040794 0.101124408 0.106640309 0.109381210 0.111607537 0.113290837 0.115657852 0.129734830 0.132095816 0.135470080 0.137951225 0.139532810 0.145757110 0.155803543 0.162761102 0.168879681 0.171988928 0.178195895 0.178662681 0.187683235 0.194591546 0.202645437 0.210040049 0.217636963 0.231259560 0.251160497 0.252108007 0.291311272 0.310745027 0.341440812 0.378255968 0.414769345 0.430487029 0.475073801 0.497488826 0.544343726 0.586749050 0.611870327 0.634846230 0.661881836 0.736954522 0.746208746 0.750453991 0.755890555 0.769885118 0.777593113 0.780944234 0.785078093 0.788036922 0.797331065 0.805115691 0.814464380 0.820340959 0.821806771 0.845154375 0.846463404 0.849188940 0.864181229 0.892448103 0.896726510 0.900881625 0.905010807 0.913199028 0.919242093 0.933865440 0.977261308 1.450030889 1.540268423</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="-4.05575938" y3="-1.58620818" z3="10.55260076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.58419624" y3="-0.68678289" z3="10.11858724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.89668251" y3="-1.56467859" z3="11.64694822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.14652863" y3="-1.53074158" z3="10.36963411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.45988237" y3="-2.85018759" z3="9.94070841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.89033398" y3="-3.7540887" z3="10.41817886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.37156749" y3="-2.88019893" z3="10.11892857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.68688613" y3="-2.97007551" z3="8.43345835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.77321886" y3="-3.0252831" z3="8.22696906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20821782" y3="-3.89643293" z3="8.0688618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86392938" y3="-1.83120941" z3="7.42042601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08998239" y3="-0.55402861" z3="6.18522626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57410706" y3="-1.23541803" z3="6.74943665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32646164" y3="0.47007366" z3="6.31646328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01740272" y3="-0.9030854" z3="4.68862367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06678171" y3="-0.76489205" z3="4.35015034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59399995" y3="-0.18165312" z3="4.11122869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.42868791" y3="-2.32953128" z3="4.36662063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5063022" y3="-2.42275285" z3="4.59367774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07500201" y3="-3.0242355" z3="5.06273505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.16517538" y3="-2.77413263" z3="2.92480134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.45693043" y3="-3.83644594" z3="2.81903191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.92307149" y3="-2.73466907" z3="2.7198739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90208936" y3="-1.95250623" z3="1.86653124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.98996565" y3="-1.94768129" z3="2.0620596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.56438014" y3="-0.90145923" z3="1.8614735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.74097235" y3="-2.36084283" z3="0.85176676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.14624296" y3="-2.76504507" z3="7.81272037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46509839" y3="-0.65030824" z3="6.77751266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25691801" y3="-0.00074117" z3="6.389645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22526338" y3="-1.86704949" z3="7.70189578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.28831623" y3="1.54212734" z3="11.34336005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.40935579" y3="2.29277654" z3="10.93306924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.2922744" y3="1.74637206" z3="10.92699475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.34027021" y3="1.69341663" z3="12.43662516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.17641674" y3="0.13092942" z3="10.98926047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.49260865" y3="-0.60902703" z3="11.46762899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.18577557" y3="-0.03416113" z3="11.40351621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.229574" y3="-0.14566289" z3="9.48394893">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.46679846" y3="-1.21204012" z3="9.31757808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.7613268" y3="0.02226755" z3="9.02242902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.26227581" y3="0.73268606" z3="8.77775098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.35582524" y3="0.97343794" z3="9.2727591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.85075178" y3="1.40855673" z3="7.99067612">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0558,-1.5862,10.5526;-3.5842,-.6868,10.1186;-3.8967,-1.5647,11.6469;-5.1465,-1.5307,10.3696;-3.4599,-2.8502,9.9407;-3.8903,-3.7541,10.4182;-2.3716,-2.8802,10.1189;-3.6869,-2.9701,8.4335;-4.7732,-3.0253,8.227;-3.2082,-3.8964,8.0689;-1.8639,-1.8312,7.4204;-.09,-.554,6.1852;.5741,-1.2354,6.7494;.3265,.4701,6.3165;.0174,-.9031,4.6886;1.0668,-.7649,4.3502;-.594,-.1817,4.1112;-.4287,-2.3295,4.3666;-1.5063,-2.4228,4.5937;.075,-3.0242,5.0627;-.1652,-2.7741,2.9248;-.4569,-3.8364,2.819;.9231,-2.7347,2.7199;-.9021,-1.9525,1.8665;-1.99,-1.9477,2.0621;-.5644,-.9015,1.8615;-.741,-2.3608,.8518;-1.1462,-2.765,7.8127;-1.4651,-.6503,6.7775;-2.2569,-.0007,6.3896;-3.2253,-1.867,7.7019;.2883,1.5421,11.3434;-.4094,2.2928,10.9331;1.2923,1.7464,10.927;.3403,1.6934,12.4366;-.1764,.1309,10.9893;.4926,-.609,11.4676;-1.1858,-.0342,11.4035;-.2296,-.1457,9.4839;-.4668,-1.212,9.3176;.7613,.0223,9.0224;-1.2623,.7327,8.7778;-2.3558,.9734,9.2728;-.8508,1.4086,7.9907;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605090346709</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001717893253 0.000337966074 0.031359944169 0.008702983510</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.004767229 -0.000510119 0.000140427 0.000229294 0.000300874 0.000552135 0.001117808 0.001239023 0.001593443 0.001808755 0.002497212 0.002646957 0.003125483 0.003738686 0.004393494 0.005456818 0.006126443 0.006738221 0.007859898 0.009902061 0.010722281 0.012106368 0.013911650 0.018413122 0.020423989 0.021286067 0.024760658 0.027222220 0.030641873 0.032912275 0.033846771 0.034147504 0.035977682 0.036762766 0.040703790 0.044420718 0.046518521 0.046986722 0.047669027 0.051390870 0.052154801 0.052615662 0.054793792 0.057637201 0.059209444 0.060548917 0.067231358 0.068755612 0.072180612 0.072659003 0.075029760 0.077434994 0.077770652 0.079860281 0.082374873 0.083363836 0.088721204 0.098146093 0.100042242 0.101126736 0.106640027 0.109383672 0.111641575 0.113290790 0.115657915 0.129741771 0.132094499 0.135470097 0.137955020 0.139537220 0.145757103 0.155835041 0.162761748 0.168879395 0.171988563 0.178246305 0.178691355 0.187697401 0.194600699 0.202739236 0.210040600 0.217654977 0.231256838 0.251365566 0.252163610 0.291311399 0.310751286 0.341440793 0.378256140 0.414770089 0.430497139 0.475087853 0.497589366 0.544356283 0.586749354 0.611876853 0.634877199 0.661887274 0.736957946 0.746227797 0.750454307 0.755899935 0.769885269 0.777616196 0.780991800 0.785085410 0.788144943 0.797331290 0.805116175 0.814465924 0.820386298 0.821807000 0.845201794 0.846468208 0.849203631 0.864181612 0.892451081 0.896920057 0.900899295 0.905053463 0.913198027 0.919315084 0.933875348 0.977479154 1.450390545 1.540282948</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="-4.04486848" y3="-1.58266982" z3="10.55363132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.57514365" y3="-0.68278392" z3="10.11867065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8815286" y3="-1.56227266" z3="11.6473421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.13630983" y3="-1.52718074" z3="10.37502298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.45124623" y3="-2.84586563" z3="9.93806756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.88084814" y3="-3.75015142" z3="10.41513035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.36264305" y3="-2.87677358" z3="10.11331611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.68230389" y3="-2.96317644" z3="8.43134385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.76904559" y3="-3.01693952" z3="8.22764462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.20549639" y3="-3.88935875" z3="8.06396984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.86112543" y3="-1.82446019" z3="7.41545792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08776696" y3="-0.54891734" z3="6.17920295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.57752413" y3="-1.22797151" z3="6.74397371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32817423" y3="0.47551019" z3="6.30620326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01726328" y3="-0.90308328" z3="4.6838201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0663136" y3="-0.76806544" z3="4.34328011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59319945" y3="-0.18271219" z3="4.10487624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43193237" y3="-2.32967489" z3="4.36820472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5095473" y3="-2.41959855" z3="4.59651622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07041893" y3="-3.02230493" z3="5.06683499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.17071452" y3="-2.78113222" z3="2.92834479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4645333" y3="-3.84319796" z3="2.82792147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.91728212" y3="-2.74445286" z3="2.72175456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.90761863" y3="-1.96298427" z3="1.8678403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99530631" y3="-1.95649536" z3="2.0646468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.56887997" y3="-0.91251125" z3="1.85866701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.74785856" y3="-2.37496492" z3="0.85461533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.14395191" y3="-2.75979061" z3="7.80314811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.46200872" y3="-0.64399711" z3="6.77426766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.25330092" y3="0.00595675" z3="6.38723129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.22169701" y3="-1.85937679" z3="7.70061657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.27056751" y3="1.53429717" z3="11.36227259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.42587549" y3="2.28652731" z3="10.95304277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.27920062" y3="1.75187127" z3="10.95835469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.30931347" y3="1.67128799" z3="12.4608997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.18381386" y3="0.12207868" z3="10.98773505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.48526314" y3="-0.61882385" z3="11.46439284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.19641823" y3="-0.05456516" z3="11.3928265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.22325712" y3="-0.14071827" z3="9.47923647">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.45471176" y3="-1.20806533" z3="9.2987159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.77112328" y3="0.03601748" z3="9.02713395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.25505816" y3="0.73786425" z3="8.77320978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.34886337" y3="0.97897483" z3="9.26888855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.84393291" y3="1.41403817" z3="7.98410053">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0449,-1.5827,10.5536;-3.5751,-.6828,10.1187;-3.8815,-1.5623,11.6473;-5.1363,-1.5272,10.375;-3.4512,-2.8459,9.9381;-3.8808,-3.7502,10.4151;-2.3626,-2.8768,10.1133;-3.6823,-2.9632,8.4313;-4.769,-3.0169,8.2276;-3.2055,-3.8894,8.064;-1.8611,-1.8245,7.4155;-.0878,-.5489,6.1792;.5775,-1.228,6.744;.3282,.4755,6.3062;.0173,-.9031,4.6838;1.0663,-.7681,4.3433;-.5932,-.1827,4.1049;-.4319,-2.3297,4.3682;-1.5095,-2.4196,4.5965;.0704,-3.0223,5.0668;-.1707,-2.7811,2.9283;-.4645,-3.8432,2.8279;.9173,-2.7445,2.7218;-.9076,-1.963,1.8678;-1.9953,-1.9565,2.0646;-.5689,-.9125,1.8587;-.7479,-2.375,.8546;-1.144,-2.7598,7.8031;-1.462,-.644,6.7743;-2.2533,.006,6.3872;-3.2217,-1.8594,7.7006;.2706,1.5343,11.3623;-.4259,2.2865,10.953;1.2792,1.7519,10.9584;.3093,1.6713,12.4609;-.1838,.1221,10.9877;.4853,-.6188,11.4644;-1.1964,-.0546,11.3928;-.2233,-.1407,9.4792;-.4547,-1.2081,9.2987;.7711,.036,9.0271;-1.2551,.7379,8.7732;-2.3489,.979,9.2689;-.8439,1.414,7.9841;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605109903140</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002587658378 0.000419422841 0.029710989118 0.008701498861</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.004835326 -0.000615808 0.000142964 0.000236205 0.000302799 0.000552803 0.001121240 0.001260473 0.001638923 0.001923699 0.002593290 0.002660528 0.003127766 0.003754038 0.004396616 0.005461390 0.006126474 0.006738691 0.007859865 0.009972685 0.010857283 0.012121852 0.013935230 0.018435206 0.020486426 0.021285834 0.024764736 0.027222641 0.030642597 0.032912272 0.033846027 0.034152519 0.035977120 0.036762487 0.040704353 0.044420945 0.046520149 0.047041198 0.047677865 0.051392443 0.052154756 0.052630592 0.054792926 0.057642189 0.059228649 0.060698385 0.067231808 0.068764716 0.072195571 0.072749896 0.075113756 0.077434748 0.077782859 0.079876652 0.082379261 0.083364225 0.088748325 0.098150004 0.100042113 0.101126433 0.106639886 0.109383900 0.111713206 0.113290971 0.115657936 0.129746934 0.132116641 0.135470322 0.137957316 0.139606707 0.145758743 0.155833171 0.162768031 0.168879946 0.171988594 0.178303968 0.178725851 0.187705507 0.194617736 0.202923255 0.210086727 0.217659224 0.231256654 0.251648939 0.252240883 0.291311835 0.310758191 0.341441559 0.378350906 0.414770823 0.430501599 0.475087818 0.497684831 0.544357211 0.586749459 0.611877856 0.634875883 0.661888162 0.736963913 0.746227289 0.750455528 0.755899909 0.769886680 0.777637369 0.781126919 0.785092065 0.788296913 0.797332458 0.805116806 0.814465950 0.820401147 0.821807004 0.845204075 0.846468210 0.849204096 0.864184464 0.892456650 0.897535012 0.900929369 0.905091653 0.913223291 0.919339255 0.933885865 0.977491564 1.450446959 1.540283973</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="-4.03194866" y3="-1.57842139" z3="10.55354074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.56449582" y3="-0.67757048" z3="10.11784923">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.86391358" y3="-1.55978" z3="11.64659083">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.12421784" y3="-1.52330271" z3="10.379688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.44012434" y3="-2.84028158" z3="9.9334116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.86758079" y3="-3.74597976" z3="10.41015325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.35067525" y3="-2.87104723" z3="10.10468025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.67637298" y3="-2.95435293" z3="8.42717844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.76388707" y3="-3.00638115" z3="8.22659983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.2016651" y3="-3.88021128" z3="8.05619468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.85688224" y3="-1.81476421" z3="7.41001256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08484305" y3="-0.53806078" z3="6.17366447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58363357" y3="-1.21327701" z3="6.74025679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.32961541" y3="0.48798227" z3="6.29426962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01575101" y3="-0.90054728" z3="4.67968734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06423396" y3="-0.76846614" z3="4.33597428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59581523" y3="-0.18258134" z3="4.0981386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43590145" y3="-2.32867596" z3="4.37245008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51368948" y3="-2.41546732" z3="4.60143938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06535585" y3="-3.0181996" z3="5.07526866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.17637051" y3="-2.7887001" z3="2.93492687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4726247" y3="-3.8507383" z3="2.84054786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.91159036" y3="-2.75565246" z3="2.72759219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.91212427" y3="-1.97476556" z3="1.87012553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-1.99947358" y3="-1.96413968" z3="2.06788001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.57062283" y3="-0.92514394" z3="1.85441854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.75449559" y3="-2.3932194" z3="0.8590371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.13937779" y3="-2.75205293" z3="7.79295027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.45724533" y3="-0.63138489" z3="6.77338358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.2487771" y3="0.0206284" z3="6.38953069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21657029" y3="-1.84933278" z3="7.69728966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.24971718" y3="1.52163046" z3="11.37152669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.45558648" y3="2.2710734" z3="10.96903248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.25230745" y3="1.74393917" z3="10.96453125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.2927106" y3="1.65651969" z3="12.46549754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.19228227" y3="0.11024126" z3="10.99049259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.47995317" y3="-0.63064925" z3="11.46465405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.20483958" y3="-0.07431764" z3="11.38986435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.22141033" y3="-0.14325967" z3="9.47983422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.44991787" y3="-1.20776708" z3="9.29556854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.77505729" y3="0.03624372" z3="9.03608916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.24910624" y3="0.73901971" z3="8.77024114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.34421664" y3="0.9824553" z3="9.26253068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.83123332" y3="1.41814575" z3="7.98777922">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0319,-1.5784,10.5535;-3.5645,-.6776,10.1178;-3.8639,-1.5598,11.6466;-5.1242,-1.5233,10.3797;-3.4401,-2.8403,9.9334;-3.8676,-3.746,10.4102;-2.3507,-2.871,10.1047;-3.6764,-2.9544,8.4272;-4.7639,-3.0064,8.2266;-3.2017,-3.8802,8.0562;-1.8569,-1.8148,7.41;-.0848,-.5381,6.1737;.5836,-1.2133,6.7403;.3296,.488,6.2943;.0158,-.9005,4.6797;1.0642,-.7685,4.336;-.5958,-.1826,4.0981;-.4359,-2.3287,4.3725;-1.5137,-2.4155,4.6014;.0654,-3.0182,5.0753;-.1764,-2.7887,2.9349;-.4726,-3.8507,2.8405;.9116,-2.7557,2.7276;-.9121,-1.9748,1.8701;-1.9995,-1.9641,2.0679;-.5706,-.9251,1.8544;-.7545,-2.3932,.859;-1.1394,-2.7521,7.793;-1.4572,-.6314,6.7734;-2.2488,.0206,6.3895;-3.2166,-1.8493,7.6973;.2497,1.5216,11.3715;-.4556,2.2711,10.969;1.2523,1.7439,10.9645;.2927,1.6565,12.4655;-.1923,.1102,10.9905;.48,-.6306,11.4647;-1.2048,-.0743,11.3899;-.2214,-.1433,9.4798;-.4499,-1.2078,9.2956;.7751,.0362,9.0361;-1.2491,.739,8.7702;-2.3442,.9825,9.2625;-.8312,1.4181,7.9878;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605121143818</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002931486957 0.000565873935 0.041146263524 0.008703121116</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.004816524 -0.001181982 0.000143021 0.000243461 0.000303987 0.000559595 0.001121397 0.001292788 0.001681440 0.002130073 0.002641247 0.002785955 0.003180949 0.003763574 0.004398027 0.005467344 0.006127840 0.006739654 0.007862367 0.009998438 0.010958221 0.012142212 0.014006331 0.018473197 0.020612236 0.021286801 0.024766156 0.027222598 0.030642638 0.032912455 0.033876160 0.034151968 0.036023450 0.036796108 0.040705894 0.044430938 0.046526776 0.047279087 0.047732688 0.051401644 0.052154864 0.052688742 0.054796016 0.057643227 0.059235776 0.060762739 0.067233702 0.068762261 0.072207940 0.072967740 0.075317890 0.077436029 0.077793965 0.079881997 0.082378681 0.083392212 0.088775255 0.098154361 0.100045335 0.101136061 0.106640195 0.109384626 0.111827448 0.113291806 0.115658309 0.129749755 0.132166692 0.135470501 0.137959626 0.139783386 0.145761986 0.155877370 0.162800227 0.168879857 0.171988713 0.178372188 0.178778575 0.187711505 0.194656221 0.203093067 0.210125645 0.217669903 0.231281022 0.251741805 0.252278771 0.291312393 0.310759069 0.341451802 0.378427556 0.414774946 0.430502509 0.475093489 0.497884195 0.544357833 0.586749679 0.611878052 0.635025800 0.661889913 0.736965004 0.746305823 0.750460492 0.755901453 0.769888160 0.777699858 0.781797749 0.785099608 0.788582099 0.797334330 0.805116784 0.814468056 0.820401103 0.821807513 0.845332781 0.846483579 0.849206236 0.864184836 0.892478494 0.898281199 0.900962326 0.905114962 0.913295724 0.919347267 0.933893053 0.977492529 1.450452360 1.540298011</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="-4.01944986" y3="-1.57520403" z3="10.55427541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55370716" y3="-0.67388109" z3="10.11767941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.84680805" y3="-1.5580723" z3="11.64662934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.11239964" y3="-1.51966693" z3="10.38507061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.4305468" y3="-2.83635051" z3="9.93002029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.85706598" y3="-3.74253021" z3="10.40640869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.34071559" y3="-2.86827511" z3="10.09773824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.67180665" y3="-2.9475269" z3="8.42440063">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.75995016" y3="-2.99730246" z3="8.22715156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19990345" y3="-3.87347492" z3="8.05012058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.85369446" y3="-1.80788582" z3="7.40545671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.08264001" y3="-0.53083048" z3="6.16801967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.58756087" y3="-1.20331423" z3="6.7352673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33097955" y3="0.49570282" z3="6.28392773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01483862" y3="-0.89920435" z3="4.6753797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06291009" y3="-0.77032529" z3="4.32934226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59626865" y3="-0.182496" z3="4.0922371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43990959" y3="-2.32760174" z3="4.37498862">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51761859" y3="-2.41117089" z3="4.6052325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06026928" y3="-3.01490842" z3="5.08035766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.18290261" y3="-2.79529221" z3="2.93957312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.48227684" y3="-3.85695888" z3="2.85090871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.90498487" y3="-2.76644062" z3="2.73110155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.91745763" y3="-1.98466782" z3="1.87151797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.00471295" y3="-1.96996482" z3="2.07039505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.57292029" y3="-0.93610019" z3="1.85024033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.76215983" y3="-2.40874959" z3="0.86242077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.13636905" y3="-2.74677747" z3="7.78474907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.45368842" y3="-0.62266025" z3="6.77131708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.24530941" y3="0.03025297" z3="6.3894593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.21255369" y3="-1.84196173" z3="7.69493571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.23253015" y3="1.5139908" z3="11.38457667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.4675614" y3="2.25919087" z3="10.97270411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.2468229" y3="1.75142305" z3="11.00023238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.25156433" y3="1.63691939" z3="12.48733951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.20034288" y3="0.10190338" z3="10.98735764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.46996587" y3="-0.63538728" z3="11.46607645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.21544583" y3="-0.08819049" z3="11.37637945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.21714709" y3="-0.14415581" z3="9.47742452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.43738756" y3="-1.21133422" z3="9.28166445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.78295144" y3="0.04503081" z3="9.04179675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.24311561" y3="0.73908502" z3="8.7659589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.33908463" y3="0.98376214" z3="9.25607978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.82081938" y3="1.42078911" z3="7.98845956">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0194,-1.5752,10.5543;-3.5537,-.6739,10.1177;-3.8468,-1.5581,11.6466;-5.1124,-1.5197,10.3851;-3.4305,-2.8364,9.93;-3.8571,-3.7425,10.4064;-2.3407,-2.8683,10.0977;-3.6718,-2.9475,8.4244;-4.76,-2.9973,8.2272;-3.1999,-3.8735,8.0501;-1.8537,-1.8079,7.4055;-.0826,-.5308,6.168;.5876,-1.2033,6.7353;.331,.4957,6.2839;.0148,-.8992,4.6754;1.0629,-.7703,4.3293;-.5963,-.1825,4.0922;-.4399,-2.3276,4.375;-1.5176,-2.4112,4.6052;.0603,-3.0149,5.0804;-.1829,-2.7953,2.9396;-.4823,-3.857,2.8509;.905,-2.7664,2.7311;-.9175,-1.9847,1.8715;-2.0047,-1.97,2.0704;-.5729,-.9361,1.8502;-.7622,-2.4087,.8624;-1.1364,-2.7468,7.7847;-1.4537,-.6227,6.7713;-2.2453,.0303,6.3895;-3.2126,-1.842,7.6949;.2325,1.514,11.3846;-.4676,2.2592,10.9727;1.2468,1.7514,11.0002;.2516,1.6369,12.4873;-.2003,.1019,10.9874;.47,-.6354,11.4661;-1.2154,-.0882,11.3764;-.2171,-.1442,9.4774;-.4374,-1.2113,9.2817;.783,.045,9.0418;-1.2431,.7391,8.766;-2.3391,.9838,9.2561;-.8208,1.4208,7.9885;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605121161968</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003872212893 0.000846407400 0.028873270525 0.008701855177</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.004905484 -0.001901329 0.000143901 0.000246625 0.000303970 0.000563965 0.001125092 0.001298934 0.001684874 0.002169526 0.002642776 0.002801004 0.003226761 0.003957246 0.004398028 0.005469284 0.006127472 0.006739786 0.007865348 0.009997453 0.011027806 0.012173379 0.014169077 0.018520863 0.020932749 0.021302334 0.024767184 0.027223878 0.030642791 0.032912707 0.033977962 0.034212143 0.036175816 0.036944631 0.040707184 0.044453293 0.046533485 0.047540766 0.048266392 0.051416921 0.052155888 0.052776272 0.054814915 0.057642451 0.059236501 0.060760702 0.067237600 0.068769221 0.072209396 0.073302452 0.075783903 0.077438217 0.077798305 0.079884094 0.082385094 0.083507302 0.088791828 0.098159357 0.100054484 0.101158322 0.106641875 0.109386606 0.111921709 0.113294287 0.115659034 0.129750510 0.132219179 0.135470422 0.137959792 0.140233255 0.145775495 0.155973863 0.162868533 0.168880439 0.171991801 0.178445305 0.178848333 0.187714100 0.194690617 0.203292479 0.210177540 0.217678612 0.231349710 0.251847351 0.252314318 0.291313242 0.310759608 0.341455113 0.378820834 0.414789700 0.430503857 0.475121922 0.498660012 0.544362138 0.586749813 0.611878426 0.635298757 0.661889752 0.736964957 0.746388248 0.750462558 0.755903766 0.769889203 0.777747265 0.782734349 0.785107830 0.789215874 0.797336604 0.805118650 0.814493913 0.820581393 0.821813740 0.845774077 0.846576549 0.849246297 0.864185105 0.892516890 0.899457214 0.901062561 0.905153684 0.913594616 0.919347307 0.933895566 0.977507830 1.450463342 1.540298508</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="-4.0072033" y3="-1.5725758" z3="10.55406257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54242418" y3="-0.67101413" z3="10.11653077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.83010331" y3="-1.55745686" z3="11.64572911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.1008423" y3="-1.516573" z3="10.38942336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.4211326" y3="-2.83291841" z3="9.92548903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.84732211" y3="-3.74001491" z3="10.40033092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.33095884" y3="-2.86636969" z3="10.09074774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.6659671" y3="-2.94003337" z3="8.42032106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.75443922" y3="-2.98584881" z3="8.22486598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19738166" y3="-3.86612759" z3="8.04230655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84747325" y3="-1.80125025" z3="7.40290105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07581928" y3="-0.5240527" z3="6.16697332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.59647664" y3="-1.19589637" z3="6.73220295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33969904" y3="0.50196141" z3="6.27755046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01230519" y3="-0.8972269" z3="4.67499332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05898637" y3="-0.77182439" z3="4.32330271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59980955" y3="-0.1809295" z3="4.09254275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44693642" y3="-2.32556728" z3="4.38078989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52493926" y3="-2.40533238" z3="4.61119691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05123432" y3="-3.01130011" z3="5.08896116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.19137296" y3="-2.80002407" z3="2.94737667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49358703" y3="-3.86125247" z3="2.86331735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.8966778" y3="-2.77497432" z3="2.73882283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.92372531" y3="-1.99196191" z3="1.87596825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.01104182" y3="-1.97355697" z3="2.07453005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.5763976" y3="-0.94444156" z3="1.8504212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.76929761" y3="-2.42066183" z3="0.86879998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.13185524" y3="-2.74443998" z3="7.77259514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44357102" y3="-0.60954612" z3="6.78016497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.23512483" y3="0.04166384" z3="6.3959475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.2047854" y3="-1.83349376" z3="7.69278987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.21048692" y3="1.50713807" z3="11.39413158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.49247451" y3="2.25369172" z3="10.9833291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.21794963" y3="1.74058594" z3="11.0102086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.23094868" y3="1.6326041" z3="12.48911023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.21129867" y3="0.09510396" z3="10.98783525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.45908516" y3="-0.64512569" z3="11.46672282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.23116399" y3="-0.10691288" z3="11.36498576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.20900943" y3="-0.14447534" z3="9.47256324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.42410045" y3="-1.20943211" z3="9.27726925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.79432293" y3="0.04714255" z3="9.0492468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.23485078" y3="0.73207671" z3="8.7509836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.33375305" y3="0.97501318" z3="9.240015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.8063724" y3="1.42501728" z3="7.98401621">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-4.0072,-1.5726,10.5541;-3.5424,-.671,10.1165;-3.8301,-1.5575,11.6457;-5.1008,-1.5166,10.3894;-3.4211,-2.8329,9.9255;-3.8473,-3.74,10.4003;-2.331,-2.8664,10.0907;-3.666,-2.94,8.4203;-4.7544,-2.9858,8.2249;-3.1974,-3.8661,8.0423;-1.8475,-1.8013,7.4029;-.0758,-.5241,6.167;.5965,-1.1959,6.7322;.3397,.502,6.2776;.0123,-.8972,4.675;1.059,-.7718,4.3233;-.5998,-.1809,4.0925;-.4469,-2.3256,4.3808;-1.5249,-2.4053,4.6112;.0512,-3.0113,5.089;-.1914,-2.8,2.9474;-.4936,-3.8613,2.8633;.8967,-2.775,2.7388;-.9237,-1.992,1.876;-2.011,-1.9736,2.0745;-.5764,-.9444,1.8504;-.7693,-2.4207,.8688;-1.1319,-2.7444,7.7726;-1.4436,-.6095,6.7802;-2.2351,.0417,6.3959;-3.2048,-1.8335,7.6928;.2105,1.5071,11.3941;-.4925,2.2537,10.9833;1.2179,1.7406,11.0102;.2309,1.6326,12.4891;-.2113,.0951,10.9878;.4591,-.6451,11.4667;-1.2312,-.1069,11.365;-.209,-.1445,9.4726;-.4241,-1.2094,9.2773;.7943,.0471,9.0492;-1.2349,.7321,8.751;-2.3338,.975,9.24;-.8064,1.425,7.984;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605124411501</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004311541207 0.000923747028 0.032494264634 0.008704512166</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.005719418 -0.001899943 0.000144101 0.000246367 0.000303956 0.000580147 0.001127252 0.001299683 0.001684975 0.002169997 0.002643659 0.002814635 0.003225903 0.004015748 0.004398703 0.005469329 0.006127587 0.006744372 0.007868630 0.010000304 0.011057546 0.012185204 0.014196536 0.018522355 0.021086137 0.021316557 0.024768329 0.027224041 0.030642897 0.032913160 0.034043555 0.034362836 0.036321029 0.037506612 0.040708069 0.044458990 0.046534687 0.047561683 0.050252299 0.051458993 0.052158828 0.052963646 0.054891449 0.057646712 0.059238601 0.060771174 0.067240848 0.068779902 0.072210421 0.073513485 0.076369523 0.077442932 0.077800154 0.079885603 0.082390562 0.083654064 0.088802882 0.098158478 0.100053326 0.101154635 0.106642861 0.109387080 0.111917268 0.113294793 0.115659898 0.129751567 0.132237461 0.135470480 0.137959723 0.140390207 0.145779189 0.156023274 0.162950179 0.168882890 0.172001991 0.178493044 0.178981599 0.187715581 0.194703891 0.203409537 0.210191065 0.217687077 0.231396494 0.251848175 0.252311579 0.291316235 0.310759852 0.341456471 0.379131193 0.414802863 0.430505591 0.475147766 0.500206510 0.544365813 0.586750065 0.611878595 0.636792211 0.661890284 0.736969174 0.746805513 0.750465762 0.755905749 0.769889393 0.777790243 0.783712211 0.785122852 0.790270806 0.797337631 0.805128321 0.814512628 0.820811686 0.821831123 0.846139551 0.846990313 0.849332473 0.864186199 0.892553816 0.900071280 0.901172131 0.905177925 0.913725997 0.919348326 0.933901930 0.977539940 1.450465588 1.540354718</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="-3.99498103" y3="-1.56586093" z3="10.55574238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53179756" y3="-0.66408072" z3="10.11669405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8136631" y3="-1.55122217" z3="11.64670748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08921861" y3="-1.50927572" z3="10.39530639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.41197369" y3="-2.82623946" z3="9.92445229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.83713387" y3="-3.73342279" z3="10.40029483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.32116464" y3="-2.86048246" z3="10.08588476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.66196974" y3="-2.93197797" z3="8.4199493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.7511887" y3="-2.97656051" z3="8.22795145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19554194" y3="-3.85819351" z3="8.0396792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84507952" y3="-1.79443839" z3="7.39813579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07483899" y3="-0.51808059" z3="6.15965012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6005042" y3="-1.18607083" z3="6.72668834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33839408" y3="0.50962826" z3="6.2652919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01133395" y3="-0.89733714" z3="4.66892289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05744645" y3="-0.77252773" z3="4.31540952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.60246512" y3="-0.18355784" z3="4.08440393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44756297" y3="-2.32729209" z3="4.38043328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52534004" y3="-2.40675964" z3="4.61239394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0518797" y3="-3.01041045" z3="5.09034205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.19411384" y3="-2.80694902" z3="2.94846909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49693885" y3="-3.86843311" z3="2.86880117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.89370358" y3="-2.783165" z3="2.73847115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.92778805" y3="-2.00263005" z3="1.87489727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.01485326" y3="-1.9828438" z3="2.07498973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.57985289" y3="-0.95526431" z3="1.84467546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.77530885" y3="-2.4354384" z3="0.86916062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.12977734" y3="-2.73809755" z3="7.76576529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.44135599" y3="-0.60406024" z3="6.7746327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.23314864" y3="0.04931613" z3="6.39329465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.20190211" y3="-1.82531589" z3="7.69194235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.1915124" y3="1.49269714" z3="11.40549151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.51618799" y3="2.23831867" z3="11.0014471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.20396339" y3="1.74582771" z3="11.03143952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.20101287" y3="1.60010983" z3="12.50844606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.218938" y3="0.0824886" z3="10.98753185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.45310764" y3="-0.65434824" z3="11.46591925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.23472461" y3="-0.11908615" z3="11.36103906">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.20941408" y3="-0.14396686" z3="9.47478441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.41171935" y3="-1.21397751" z3="9.26078262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.79733866" y3="0.06516626" z3="9.05797773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.23109167" y3="0.73885641" z3="8.75267214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.32940522" y3="0.98763165" z3="9.23797231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.79811844" y3="1.42671376" z3="7.98743592">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a35" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.995,-1.5659,10.5557;-3.5318,-.6641,10.1167;-3.8137,-1.5512,11.6467;-5.0892,-1.5093,10.3953;-3.412,-2.8262,9.9245;-3.8371,-3.7334,10.4003;-2.3212,-2.8605,10.0859;-3.662,-2.932,8.4199;-4.7512,-2.9766,8.228;-3.1955,-3.8582,8.0397;-1.8451,-1.7944,7.3981;-.0748,-.5181,6.1597;.6005,-1.1861,6.7267;.3384,.5096,6.2653;.0113,-.8973,4.6689;1.0574,-.7725,4.3154;-.6025,-.1836,4.0844;-.4476,-2.3273,4.3804;-1.5253,-2.4068,4.6124;.0519,-3.0104,5.0903;-.1941,-2.8069,2.9485;-.4969,-3.8684,2.8688;.8937,-2.7832,2.7385;-.9278,-2.0026,1.8749;-2.0149,-1.9828,2.075;-.5799,-.9553,1.8447;-.7753,-2.4354,.8692;-1.1298,-2.7381,7.7658;-1.4414,-.6041,6.7746;-2.2331,.0493,6.3933;-3.2019,-1.8253,7.6919;.1915,1.4927,11.4055;-.5162,2.2383,11.0014;1.204,1.7458,11.0314;.201,1.6001,12.5084;-.2189,.0825,10.9875;.4531,-.6543,11.4659;-1.2347,-.1191,11.361;-.2094,-.144,9.4748;-.4117,-1.214,9.2608;.7973,.0652,9.058;-1.2311,.7389,8.7527;-2.3294,.9876,9.238;-.7981,1.4267,7.9874;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605130358303</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007305299105 0.001036742429 0.037970125146 0.008703357088</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.006250751 -0.002555451 0.000144747 0.000264678 0.000311567 0.000578409 0.001127574 0.001302680 0.001695287 0.002218265 0.002649785 0.002886760 0.003283184 0.004037257 0.004398875 0.005472080 0.006131248 0.006750793 0.007869364 0.010009651 0.011055047 0.012186381 0.014263091 0.018535043 0.021086984 0.021337533 0.024769419 0.027224048 0.030646876 0.032913411 0.034060557 0.034422608 0.036370306 0.038008502 0.040710396 0.044460765 0.046535105 0.047564927 0.051297547 0.052036366 0.052198707 0.054161658 0.055713013 0.057645507 0.059236889 0.060782246 0.067242655 0.068778579 0.072218437 0.073529836 0.076476198 0.077442640 0.077800797 0.079885604 0.082393027 0.083730677 0.088802691 0.098176221 0.100076632 0.101237673 0.106642515 0.109387797 0.111973324 0.113294993 0.115660090 0.129758924 0.132284401 0.135475045 0.137960125 0.140404982 0.145778675 0.156024113 0.163008989 0.168886219 0.172008563 0.178516966 0.179046370 0.187723409 0.194718029 0.203558234 0.210190787 0.217698410 0.231495213 0.251845619 0.252308557 0.291317671 0.310762728 0.341456331 0.379121723 0.414804846 0.430505602 0.475148966 0.501202774 0.544366198 0.586750247 0.611878893 0.640899127 0.661895875 0.736974571 0.747187932 0.750470219 0.755905609 0.769889565 0.777842999 0.784906526 0.785268214 0.791707370 0.797337715 0.805139773 0.814512905 0.820906371 0.821830846 0.846203270 0.847279770 0.849367125 0.864186741 0.892559433 0.900191738 0.901207676 0.905190944 0.913721599 0.919351575 0.933906453 0.977644959 1.450469241 1.540450232</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="-3.98319527" y3="-1.56032176" z3="10.55683716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52039697" y3="-0.65901023" z3="10.11632994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79796038" y3="-1.54654587" z3="11.64716185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07794209" y3="-1.5027755" z3="10.40040456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.4034188" y3="-2.82088868" z3="9.92297725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.82843523" y3="-3.72805209" z3="10.39876121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.31231985" y3="-2.85666506" z3="10.08161188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.65743459" y3="-2.92503758" z3="8.41914538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.74710033" y3="-2.96637437" z3="8.22952469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19438853" y3="-3.8520779" z3="8.03665844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.84054722" y3="-1.7884748" z3="7.39790762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07092594" y3="-0.51241712" z3="6.15718643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.60570346" y3="-1.17972342" z3="6.7227392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34384438" y3="0.51464051" z3="6.25867245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00865032" y3="-0.89589793" z3="4.66712724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05343488" y3="-0.77263214" z3="4.30929591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.60666916" y3="-0.18333435" z3="4.0834022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45153508" y3="-2.32625203" z3="4.38352046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52887449" y3="-2.40506052" z3="4.61732825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04894016" y3="-3.00776542" z3="5.0939553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20030309" y3="-2.81034352" z3="2.95254879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50463046" y3="-3.87147015" z3="2.87649769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88720996" y3="-2.788845" z3="2.74133265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.93345234" y3="-2.00853739" z3="1.87712966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.02012825" y3="-1.9862917" z3="2.07822848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.5837006" y3="-0.96213341" z3="1.84301241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78255649" y3="-2.44499768" z3="0.87273536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.12530002" y3="-2.73394361" z3="7.7627091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43502852" y3="-0.59308172" z3="6.77966934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.22707663" y3="0.05895674" z3="6.39735467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.1962413" y3="-1.81889144" z3="7.69046219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.16958117" y3="1.48823899" z3="11.41826904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.53570586" y3="2.22606428" z3="11.00231002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.1859603" y3="1.74686806" z3="11.06087528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.16304274" y3="1.59443743" z3="12.5189526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.22526464" y3="0.07563699" z3="10.98167292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.44559702" y3="-0.66090823" z3="11.46337367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.25056379" y3="-0.14694935" z3="11.33887463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1978057" y3="-0.14625137" z3="9.4660281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.40041996" y3="-1.20794897" z3="9.26231391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.80766123" y3="0.0570563" z3="9.06026039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.22191818" y3="0.73077727" z3="8.73915585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.32160202" y3="0.97793117" z3="9.22677998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.78514565" y3="1.4286799" z3="7.98127873">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9832,-1.5603,10.5568;-3.5204,-.659,10.1163;-3.798,-1.5465,11.6472;-5.0779,-1.5028,10.4004;-3.4034,-2.8209,9.923;-3.8284,-3.7281,10.3988;-2.3123,-2.8567,10.0816;-3.6574,-2.925,8.4191;-4.7471,-2.9664,8.2295;-3.1944,-3.8521,8.0367;-1.8405,-1.7885,7.3979;-.0709,-.5124,6.1572;.6057,-1.1797,6.7227;.3438,.5146,6.2587;.0087,-.8959,4.6671;1.0534,-.7726,4.3093;-.6067,-.1833,4.0834;-.4515,-2.3263,4.3835;-1.5289,-2.4051,4.6173;.0489,-3.0078,5.094;-.2003,-2.8103,2.9525;-.5046,-3.8715,2.8765;.8872,-2.7888,2.7413;-.9335,-2.0085,1.8771;-2.0201,-1.9863,2.0782;-.5837,-.9621,1.843;-.7826,-2.445,.8727;-1.1253,-2.7339,7.7627;-1.435,-.5931,6.7797;-2.2271,.059,6.3974;-3.1962,-1.8189,7.6905;.1696,1.4882,11.4183;-.5357,2.2261,11.0023;1.186,1.7469,11.0609;.163,1.5944,12.519;-.2253,.0756,10.9817;.4456,-.6609,11.4634;-1.2506,-.1469,11.3389;-.1978,-.1463,9.466;-.4004,-1.2079,9.2623;.8077,.0571,9.0603;-1.2219,.7308,8.7392;-2.3216,.9779,9.2268;-.7851,1.4287,7.9813;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605118202129</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008414997502 0.001279408327 0.029212908133 0.008704643231</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.006589641 -0.003842657 0.000145873 0.000264194 0.000312898 0.000582848 0.001128355 0.001318720 0.001693680 0.002213304 0.002649101 0.002881502 0.003285155 0.004179240 0.004407273 0.005472681 0.006148481 0.006755823 0.007871649 0.010043384 0.011077469 0.012223581 0.014677718 0.018608073 0.021243409 0.022131568 0.024796666 0.027224786 0.030672661 0.032913570 0.034066530 0.034426135 0.036378490 0.038076983 0.040713463 0.044460496 0.046535100 0.047565646 0.051318287 0.052108405 0.052273573 0.054499266 0.057643076 0.058332024 0.059307261 0.061658533 0.067242917 0.068806907 0.072249665 0.073558263 0.076502658 0.077444306 0.077809770 0.079886277 0.082393895 0.083806543 0.088804065 0.098214705 0.100133047 0.101503047 0.106643376 0.109392839 0.112074000 0.113295245 0.115660360 0.129776911 0.132384731 0.135492234 0.137962728 0.141213855 0.145793500 0.156022778 0.163038772 0.168888568 0.172013472 0.178527389 0.179100863 0.187733684 0.194728082 0.203581258 0.210206409 0.217750462 0.231562184 0.251864747 0.252312464 0.291319525 0.310774428 0.341456611 0.379742860 0.414808123 0.430508498 0.475151248 0.501279201 0.544367666 0.586750268 0.611880221 0.646562737 0.661911693 0.736979093 0.747505937 0.750480188 0.755906661 0.769889605 0.777884977 0.785074320 0.786761136 0.793327301 0.797337537 0.805144742 0.814549341 0.821779610 0.822480850 0.846203248 0.847286121 0.849367501 0.864187166 0.892561643 0.900202125 0.901209283 0.905195773 0.914526359 0.919365657 0.933912347 0.977857254 1.450510195 1.540573853</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="-3.97263166" y3="-1.55237303" z3="10.55918702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5101824" y3="-0.65178015" z3="10.11647689">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.78415681" y3="-1.53803086" z3="11.64892164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06779271" y3="-1.49410345" z3="10.40588509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.39569186" y3="-2.8138855" z3="9.92466524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.82043803" y3="-3.72051184" z3="10.40180147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.30429389" y3="-2.85062168" z3="10.08097549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.65332337" y3="-2.91841734" z3="8.42154634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.74338236" y3="-2.95839037" z3="8.23437096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.19236268" y3="-3.84611903" z3="8.03829357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8374778" y3="-1.78389994" z3="7.39617194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06873249" y3="-0.50960753" z3="6.1524138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6099961" y3="-1.17536699" z3="6.7173112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34563146" y3="0.51788651" z3="6.25022301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00664128" y3="-0.89577328" z3="4.66295416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05031207" y3="-0.7718196" z3="4.30199887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61104392" y3="-0.18512171" z3="4.07915796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.4521817" y3="-2.32733582" z3="4.38308796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52908234" y3="-2.40717928" z3="4.61870632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05048462" y3="-3.00648021" z3="5.09434524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20262094" y3="-2.81439981" z3="2.95284522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50588812" y3="-3.87621726" z3="2.87977856">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88470525" y3="-2.79218721" z3="2.74018855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.93830098" y3="-2.01583327" z3="1.87647122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.02478269" y3="-1.99355128" z3="2.07927646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.58914416" y3="-0.96914651" z3="1.83863618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.78901924" y3="-2.4551524" z3="0.87309119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.12306676" y3="-2.72999653" z3="7.75728701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43065112" y3="-0.58856992" z3="6.7801711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.22318416" y3="0.06227191" z3="6.3966659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.19238243" y3="-1.81278954" z3="7.69152307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.14915461" y3="1.47209734" z3="11.42990563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.55612209" y3="2.2136865" z3="11.01562898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.16359933" y3="1.73250671" z3="11.08141393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.13627622" y3="1.57261953" z3="12.52905052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.23866176" y3="0.06403085" z3="10.9850162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.43405263" y3="-0.67312142" z3="11.46426131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.25894595" y3="-0.15625231" z3="11.33490903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.19496881" y3="-0.14140054" z3="9.46610984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.37882664" y3="-1.21420534" z3="9.233101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.81969571" y3="0.0858893" z3="9.07321623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.21608562" y3="0.73370865" z3="8.73180062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.31635316" y3="0.98327581" z3="9.21714834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77713241" y3="1.43105516" z3="7.97638259">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9726,-1.5524,10.5592;-3.5102,-.6518,10.1165;-3.7842,-1.538,11.6489;-5.0678,-1.4941,10.4059;-3.3957,-2.8139,9.9247;-3.8204,-3.7205,10.4018;-2.3043,-2.8506,10.081;-3.6533,-2.9184,8.4215;-4.7434,-2.9584,8.2344;-3.1924,-3.8461,8.0383;-1.8375,-1.7839,7.3962;-.0687,-.5096,6.1524;.61,-1.1754,6.7173;.3456,.5179,6.2502;.0066,-.8958,4.663;1.0503,-.7718,4.302;-.611,-.1851,4.0792;-.4522,-2.3273,4.3831;-1.5291,-2.4072,4.6187;.0505,-3.0065,5.0943;-.2026,-2.8144,2.9528;-.5059,-3.8762,2.8798;.8847,-2.7922,2.7402;-.9383,-2.0158,1.8765;-2.0248,-1.9936,2.0793;-.5891,-.9691,1.8386;-.789,-2.4552,.8731;-1.1231,-2.73,7.7573;-1.4307,-.5886,6.7802;-2.2232,.0623,6.3967;-3.1924,-1.8128,7.6915;.1492,1.4721,11.4299;-.5561,2.2137,11.0156;1.1636,1.7325,11.0814;.1363,1.5726,12.5291;-.2387,.064,10.985;.4341,-.6731,11.4643;-1.2589,-.1563,11.3349;-.195,-.1414,9.4661;-.3788,-1.2142,9.2331;.8197,.0859,9.0732;-1.2161,.7337,8.7318;-2.3164,.9833,9.2171;-.7771,1.4311,7.9764;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605116626429</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007134326336 0.001377949572 0.034259813346 0.008704618006</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.006592349 -0.004063149 0.000146782 0.000263461 0.000314701 0.000602148 0.001128339 0.001318602 0.001695323 0.002237007 0.002651823 0.002909305 0.003301808 0.004167767 0.004406630 0.005472944 0.006156210 0.006754810 0.007874068 0.010044494 0.011181450 0.012277865 0.015047661 0.018657782 0.021265174 0.023892174 0.025026307 0.027224475 0.030706237 0.032913603 0.034065591 0.034432991 0.036378054 0.038093345 0.040716993 0.044461746 0.046535368 0.047570169 0.051337235 0.052108422 0.052273479 0.054494756 0.057641729 0.058393332 0.059383765 0.063663563 0.067244997 0.068963408 0.072286418 0.073819056 0.077259415 0.077497148 0.077884038 0.079921737 0.082407161 0.084129393 0.088817819 0.098227105 0.100153904 0.101635437 0.106642969 0.109393454 0.112070368 0.113295229 0.115661056 0.129798206 0.132706111 0.135518951 0.137966966 0.142242640 0.145807568 0.156027869 0.163058574 0.168889389 0.172014125 0.178532713 0.179095192 0.187755648 0.194743777 0.203584108 0.210231294 0.217865226 0.231691661 0.251862315 0.252308031 0.291321095 0.310804617 0.341459817 0.382251991 0.414842055 0.430515466 0.475172118 0.501848315 0.544370538 0.586750713 0.611880408 0.651333431 0.661956412 0.736978863 0.747572859 0.750487514 0.755912041 0.769891287 0.777911944 0.785083180 0.788472342 0.795401446 0.797337484 0.805145384 0.814597946 0.821795688 0.825741852 0.846259601 0.847699956 0.849556964 0.864189202 0.892575013 0.900238488 0.901208275 0.905201969 0.915663656 0.919403665 0.933912465 0.977917660 1.450577087 1.540626825</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="-3.96383218" y3="-1.5423663" z3="10.56184354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50282136" y3="-0.64250704" z3="10.11609364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77242378" y3="-1.52575989" z3="11.65107553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.05942958" y3="-1.48439482" z3="10.41132603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.38832723" y3="-2.80504979" z3="9.92833929">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.81188378" y3="-3.71076039" z3="10.40839179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.29636569" y3="-2.8412534" z3="10.08170502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.64974029" y3="-2.91221614" z3="8.42600365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.74034328" y3="-2.95229431" z3="8.24166281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.18999486" y3="-3.84073202" z3="8.04327988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.83596418" y3="-1.78016011" z3="7.39358943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06941331" y3="-0.50696423" z3="6.14567482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61118024" y3="-1.17043626" z3="6.71147302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34347709" y3="0.52142392" z3="6.24140062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00553998" y3="-0.89605496" z3="4.65698259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0483997" y3="-0.77005124" z3="4.29459494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61495277" y3="-0.18805391" z3="4.07283401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45026031" y3="-2.32929693" z3="4.38061743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52654379" y3="-2.4110002" z3="4.61798361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05469331" y3="-3.00585198" z3="5.09268918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20187899" y3="-2.81834513" z3="2.95082093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50248115" y3="-3.88101684" z3="2.88009345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88497817" y3="-2.79359557" z3="2.73612588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.94177915" y3="-2.02371843" z3="1.87432267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.02796027" y3="-2.00389192" z3="2.07907688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.59546352" y3="-0.97627236" z3="1.83397799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79329105" y3="-2.46449666" z3="0.87151203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.12016932" y3="-2.72559664" z3="7.75549564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.43110873" y3="-0.58693424" z3="6.7729091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.22393657" y3="0.06547771" z3="6.39228652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.19037936" y3="-1.80818564" z3="7.69304991">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.13168873" y3="1.46041114" z3="11.44537897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.57587608" y3="2.2040539" z3="11.03812471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.15015317" y3="1.73845407" z3="11.10819267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.10626629" y3="1.53835971" z3="12.55133682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.24135658" y3="0.0533252" z3="10.97681342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42821101" y3="-0.68517898" z3="11.45648881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.26764063" y3="-0.18249622" z3="11.31587909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.18787444" y3="-0.13962681" z3="9.45937969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.37051267" y3="-1.20086131" z3="9.23387389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.82142203" y3="0.08952748" z3="9.07310865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.21038407" y3="0.73911465" z3="8.72984473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.3092141" y3="0.99269787" z3="9.21539488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.77076844" y3="1.43196236" z3="7.97132469">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9638,-1.5424,10.5618;-3.5028,-.6425,10.1161;-3.7724,-1.5258,11.6511;-5.0594,-1.4844,10.4113;-3.3883,-2.805,9.9283;-3.8119,-3.7108,10.4084;-2.2964,-2.8413,10.0817;-3.6497,-2.9122,8.426;-4.7403,-2.9523,8.2417;-3.19,-3.8407,8.0433;-1.836,-1.7802,7.3936;-.0694,-.507,6.1457;.6112,-1.1704,6.7115;.3435,.5214,6.2414;.0055,-.8961,4.657;1.0484,-.7701,4.2946;-.615,-.1881,4.0728;-.4503,-2.3293,4.3806;-1.5265,-2.411,4.618;.0547,-3.0059,5.0927;-.2019,-2.8183,2.9508;-.5025,-3.881,2.8801;.885,-2.7936,2.7361;-.9418,-2.0237,1.8743;-2.028,-2.0039,2.0791;-.5955,-.9763,1.834;-.7933,-2.4645,.8715;-1.1202,-2.7256,7.7555;-1.4311,-.5869,6.7729;-2.2239,.0655,6.3923;-3.1904,-1.8082,7.693;.1317,1.4604,11.4454;-.5759,2.2041,11.0381;1.1502,1.7385,11.1082;.1063,1.5384,12.5513;-.2414,.0533,10.9768;.4282,-.6852,11.4565;-1.2676,-.1825,11.3159;-.1879,-.1396,9.4594;-.3705,-1.2009,9.2339;.8214,.0895,9.0731;-1.2104,.7391,8.7298;-2.3092,.9927,9.2154;-.7708,1.432,7.9713;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605151266929</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005149325399 0.001079809430 0.036147803139 0.008704612340</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.007686176 -0.001958979 0.000149400 0.000263087 0.000330461 0.000595849 0.001128668 0.001320505 0.001695916 0.002248913 0.002651669 0.002922518 0.003317690 0.004233259 0.004415296 0.005473317 0.006159423 0.006756064 0.007873799 0.010044948 0.011249676 0.012314400 0.015214311 0.018676014 0.021275518 0.024393660 0.025585048 0.027224541 0.030709659 0.032914390 0.034074790 0.034495089 0.036377741 0.038198906 0.040719471 0.044469881 0.046537317 0.047587225 0.051386803 0.052121619 0.052318617 0.054495053 0.057653826 0.058406923 0.059393269 0.064674332 0.067247109 0.069116931 0.072293708 0.073995800 0.077396359 0.077729173 0.078271843 0.080047306 0.082430598 0.085339338 0.088838599 0.098235070 0.100157904 0.101659164 0.106647113 0.109394360 0.112079717 0.113300595 0.115661312 0.129810114 0.132919801 0.135544227 0.137972382 0.142746175 0.145808609 0.156029911 0.163058160 0.168889158 0.172013937 0.178536518 0.179117781 0.187756156 0.194744402 0.203644437 0.210275175 0.217996259 0.231793671 0.251925465 0.252381620 0.291332623 0.310847015 0.341460134 0.385113005 0.414887143 0.430515731 0.475177857 0.502437395 0.544370951 0.586750966 0.611880908 0.653903027 0.661981867 0.736979063 0.747593063 0.750489951 0.755914584 0.769893851 0.777919236 0.785083853 0.789166746 0.797335575 0.798068041 0.805146649 0.814599976 0.821795677 0.826769975 0.846316273 0.848692690 0.851050600 0.864188092 0.892591782 0.900257104 0.901210899 0.905206288 0.916678649 0.919438311 0.933914610 0.977918732 1.450585571 1.540626988</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="-3.95755287" y3="-1.53282747" z3="10.56205775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.49923965" y3="-0.63331919" z3="10.11248913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.76321879" y3="-1.51303988" z3="11.65075908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.05379665" y3="-1.47821344" z3="10.41423677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.38023893" y3="-2.79569853" z3="9.93046553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.80102813" y3="-3.70165582" z3="10.41272355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2880195" y3="-2.82948485" z3="10.08291861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.64340752" y3="-2.90639556" z3="8.42878578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.73415241" y3="-2.94554306" z3="8.24546221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1848706" y3="-3.83606061" z3="8.04735794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.83033889" y3="-1.7773572" z3="7.39298596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06429788" y3="-0.50317133" z3="6.14472193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.61777713" y3="-1.16705806" z3="6.70790669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35040665" y3="0.52458184" z3="6.23723499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00234519" y3="-0.89436356" z3="4.65613322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04328444" y3="-0.76845753" z3="4.28796163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62127103" y3="-0.18747845" z3="4.07428722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45367137" y3="-2.32826205" z3="4.38342758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52971024" y3="-2.41037194" z3="4.6221209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05239724" y3="-3.0033091" z3="5.09600969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2063831" y3="-2.8193811" z3="2.95412761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50553726" y3="-3.88249024" z3="2.88530436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88015034" y3="-2.79349114" z3="2.73817679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.94813077" y3="-2.02719649" z3="1.87748542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.03417824" y3="-2.00924454" z3="2.08291813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.60384602" y3="-0.97922687" z3="1.83601279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.79919948" y3="-2.46851985" z3="0.87502875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.11573816" y3="-2.72612169" z3="7.74823388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42300906" y3="-0.5784607" z3="6.78064398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21621315" y3="0.07313582" z3="6.39957421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.18342732" y3="-1.80390999" z3="7.69292491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.10782604" y3="1.44798705" z3="11.45053101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.60019428" y3="2.18413793" z3="11.03370247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.12987791" y3="1.7333491" z3="11.12813995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.07011848" y3="1.52992986" z3="12.55161675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25139192" y3="0.04109051" z3="10.97470237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42169092" y3="-0.69528286" z3="11.45492742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.27606911" y3="-0.19815459" z3="11.30339833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.18120808" y3="-0.14293323" z3="9.45637785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.34839271" y3="-1.21233177" z3="9.21165326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.83375394" y3="0.09734381" z3="9.08386584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.20187771" y3="0.73042778" z3="8.71606867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.30281514" y3="0.98428671" z3="9.20030085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.75556409" y3="1.4319296" z3="7.96661106">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9576,-1.5328,10.5621;-3.4992,-.6333,10.1125;-3.7632,-1.513,11.6508;-5.0538,-1.4782,10.4142;-3.3802,-2.7957,9.9305;-3.801,-3.7017,10.4127;-2.288,-2.8295,10.0829;-3.6434,-2.9064,8.4288;-4.7342,-2.9455,8.2455;-3.1849,-3.8361,8.0474;-1.8303,-1.7774,7.393;-.0643,-.5032,6.1447;.6178,-1.1671,6.7079;.3504,.5246,6.2372;.0023,-.8944,4.6561;1.0433,-.7685,4.288;-.6213,-.1875,4.0743;-.4537,-2.3283,4.3834;-1.5297,-2.4104,4.6221;.0524,-3.0033,5.096;-.2064,-2.8194,2.9541;-.5055,-3.8825,2.8853;.8802,-2.7935,2.7382;-.9481,-2.0272,1.8775;-2.0342,-2.0092,2.0829;-.6038,-.9792,1.836;-.7992,-2.4685,.875;-1.1157,-2.7261,7.7482;-1.423,-.5785,6.7806;-2.2162,.0731,6.3996;-3.1834,-1.8039,7.6929;.1078,1.448,11.4505;-.6002,2.1841,11.0337;1.1299,1.7333,11.1281;.0701,1.5299,12.5516;-.2514,.0411,10.9747;.4217,-.6953,11.4549;-1.2761,-.1982,11.3034;-.1812,-.1429,9.4564;-.3484,-1.2123,9.2117;.8338,.0973,9.0839;-1.2019,.7304,8.7161;-2.3028,.9843,9.2003;-.7556,1.4319,7.9666;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605184675666</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004947709285 0.000799246137 0.033481174922 0.008703495987</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008556284 -0.001239982 0.000150571 0.000276489 0.000327269 0.000589455 0.001129009 0.001330557 0.001699111 0.002248037 0.002651645 0.002923691 0.003318642 0.004335080 0.004491047 0.005484312 0.006212724 0.006756245 0.007885173 0.010047682 0.011249519 0.012314183 0.015200686 0.018672698 0.021280587 0.024380772 0.025540762 0.027226815 0.030718165 0.032915368 0.034090976 0.034727612 0.036383670 0.038202636 0.040720290 0.044490048 0.046540168 0.047619891 0.051405224 0.052121488 0.052323091 0.054501458 0.057672640 0.058434937 0.059398706 0.065328307 0.067246889 0.069221894 0.072298024 0.074110126 0.077394527 0.077751193 0.078294331 0.080089149 0.082447472 0.086461049 0.088843671 0.098245192 0.100158353 0.101660289 0.106653787 0.109397856 0.112076821 0.113301020 0.115664459 0.129814790 0.132993637 0.135558303 0.137973531 0.142772055 0.145818124 0.156168354 0.163103958 0.168890154 0.172017277 0.178536890 0.179172548 0.187762170 0.194743764 0.203661324 0.210276479 0.218054550 0.231905083 0.251915230 0.252411213 0.291333975 0.310860399 0.341464110 0.385533269 0.414888532 0.430519680 0.475187499 0.502444582 0.544379249 0.586750988 0.611881979 0.655215308 0.661993049 0.736981507 0.747593597 0.750493215 0.755915651 0.769898077 0.777920115 0.785083865 0.789166569 0.797336657 0.800278776 0.805149233 0.814602350 0.821796839 0.826766544 0.846330162 0.848845991 0.852804754 0.864187916 0.892591576 0.900312482 0.901333611 0.905229750 0.916764949 0.919460775 0.933920761 0.977964812 1.450623467 1.540655798</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="-3.95780454" y3="-1.52134319" z3="10.56162114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50466428" y3="-0.62150064" z3="10.10728516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.76264528" y3="-1.49514642" z3="11.64996277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.05450503" y3="-1.47435068" z3="10.41440397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.37304141" y3="-2.78358143" z3="9.93553607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.78751868" y3="-3.69015157" z3="10.42232511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28021301" y3="-2.80953676" z3="10.08708036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.63692768" y3="-2.90235026" z3="8.43467438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.72757142" y3="-2.94521829" z3="8.25198251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.17586427" y3="-3.8321527" z3="8.05706192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8278605" y3="-1.7744292" z3="7.39145312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06404486" y3="-0.50013869" z3="6.14045896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62045328" y3="-1.16217154" z3="6.7031949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34958723" y3="0.52829184" z3="6.23011935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00002812" y3="-0.89370149" z3="4.65253149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03985784" y3="-0.76615558" z3="4.28240407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62608284" y3="-0.18896288" z3="4.07058471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45285542" y3="-2.32913104" z3="4.38231035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52847216" y3="-2.41372645" z3="4.62192185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05555602" y3="-3.00178533" z3="5.09556244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20614148" y3="-2.82156051" z3="2.95330281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50098487" y3="-3.8862078" z3="2.88669239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.87994531" y3="-2.79141469" z3="2.73543652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.95356025" y3="-2.03415703" z3="1.87652646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.03943092" y3="-2.02139369" z3="2.08345208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.61453445" y3="-0.98428891" z3="1.83327729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8041201" y3="-2.4759628" z3="0.87423936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.11222542" y3="-2.72263113" z3="7.74326803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42080457" y3="-0.57452459" z3="6.78092938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21489461" y3="0.07521456" z3="6.39894938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.17980406" y3="-1.80153618" z3="7.69415515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.09279875" y3="1.43352168" z3="11.46369449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.61520787" y3="2.1735531" z3="11.05300086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.10850762" y3="1.71872608" z3="11.14468619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.05235571" y3="1.49644868" z3="12.5676409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.2582857" y3="0.03065054" z3="10.96982291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41152842" y3="-0.70631469" z3="11.45154995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28783896" y3="-0.2215209" z3="11.28459193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.17071173" y3="-0.14034499" z3="9.44906781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.32840416" y3="-1.20460936" z3="9.20254813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.84646249" y3="0.1160187" z3="9.0880314">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.19481978" y3="0.73013494" z3="8.70812868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.29473347" y3="0.98580719" z3="9.19551451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74881253" y3="1.43302141" z3="7.96139161">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9578,-1.5213,10.5616;-3.5047,-.6215,10.1073;-3.7626,-1.4951,11.65;-5.0545,-1.4744,10.4144;-3.373,-2.7836,9.9355;-3.7875,-3.6902,10.4223;-2.2802,-2.8095,10.0871;-3.6369,-2.9024,8.4347;-4.7276,-2.9452,8.252;-3.1759,-3.8322,8.0571;-1.8279,-1.7744,7.3915;-.064,-.5001,6.1405;.6205,-1.1622,6.7032;.3496,.5283,6.2301;0,-.8937,4.6525;1.0399,-.7662,4.2824;-.6261,-.189,4.0706;-.4529,-2.3291,4.3823;-1.5285,-2.4137,4.6219;.0556,-3.0018,5.0956;-.2061,-2.8216,2.9533;-.501,-3.8862,2.8867;.8799,-2.7914,2.7354;-.9536,-2.0342,1.8765;-2.0394,-2.0214,2.0835;-.6145,-.9843,1.8333;-.8041,-2.476,.8742;-1.1122,-2.7226,7.7433;-1.4208,-.5745,6.7809;-2.2149,.0752,6.3989;-3.1798,-1.8015,7.6942;.0928,1.4335,11.4637;-.6152,2.1736,11.053;1.1085,1.7187,11.1447;.0524,1.4964,12.5676;-.2583,.0307,10.9698;.4115,-.7063,11.4515;-1.2878,-.2215,11.2846;-.1707,-.1403,9.4491;-.3284,-1.2046,9.2025;.8465,.116,9.088;-1.1948,.7301,8.7081;-2.2947,.9858,9.1955;-.7488,1.433,7.9614;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605180480737</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004743821645 0.000930381706 0.030226145565 0.008702229467</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008456359 -0.002439787 0.000152590 0.000288870 0.000344482 0.000613198 0.001128504 0.001341984 0.001697118 0.002264820 0.002650422 0.002923852 0.003319399 0.004356074 0.004589789 0.005519968 0.006379595 0.006764826 0.007903140 0.010092144 0.011295392 0.012342295 0.015273653 0.018672378 0.021283130 0.024444057 0.025794637 0.027225703 0.030769749 0.032915214 0.034089178 0.035427260 0.036415734 0.038238909 0.040720020 0.044491511 0.046540226 0.047618393 0.051401156 0.052124237 0.052339101 0.054535573 0.057673546 0.058425806 0.059404407 0.065783606 0.067247288 0.069342136 0.072304870 0.074251785 0.077409300 0.077753069 0.078314699 0.080084354 0.082444329 0.087100373 0.088869310 0.098248239 0.100158342 0.101661337 0.106656229 0.109398182 0.112180044 0.113300868 0.115663854 0.129817804 0.132982991 0.135561088 0.137973037 0.142777393 0.145826091 0.156570253 0.163309782 0.168902566 0.172027463 0.178536855 0.179272025 0.187771577 0.194753036 0.203766492 0.210272791 0.218050986 0.231886612 0.251952034 0.252493441 0.291343797 0.310862308 0.341463655 0.385541893 0.414889516 0.430521722 0.475229120 0.503474468 0.544399736 0.586751171 0.611884541 0.656213960 0.662009333 0.736981549 0.747624335 0.750494809 0.755918878 0.769898633 0.777922497 0.785083640 0.789339537 0.797339637 0.801655119 0.805162350 0.814624874 0.821796795 0.827984499 0.846329704 0.848900824 0.853641442 0.864193701 0.892592809 0.900420543 0.901433322 0.905232337 0.916833172 0.919462025 0.933920424 0.977971411 1.450667607 1.540658625</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="-3.96233919" y3="-1.50921342" z3="10.55944189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51349803" y3="-0.60931408" z3="10.1015816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.76915566" y3="-1.47612157" z3="11.64785714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.05892424" y3="-1.46997754" z3="10.41026864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36859681" y3="-2.77082587" z3="9.9405564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.77724629" y3="-3.67737852" z3="10.43165375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27600278" y3="-2.78875194" z3="10.09333157">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.63021121" y3="-2.89932824" z3="8.44024845">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.72039984" y3="-2.94724032" z3="8.25644759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.16499004" y3="-3.82924893" z3="8.06802869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.82459" y3="-1.77128507" z3="7.39225257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06449704" y3="-0.49598652" z3="6.13714665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6218896" y3="-1.15625832" z3="6.69950387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34838322" y3="0.53287797" z3="6.22387556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00338514" y3="-0.89227251" z3="4.64981981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03547072" y3="-0.76237919" z3="4.27744855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63250308" y3="-0.19001128" z3="4.06812486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45265377" y3="-2.32949843" z3="4.38210533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52784066" y3="-2.41719305" z3="4.62289918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05856957" y3="-2.99983983" z3="5.09559702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20561994" y3="-2.82307258" z3="2.95334939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49562541" y3="-3.88909016" z3="2.88853802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.8800609" y3="-2.78835907" z3="2.7340877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.95767991" y3="-2.04090206" z3="1.87609579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.04346619" y3="-2.03346325" z3="2.08355403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62404746" y3="-0.98947832" z3="1.83127026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.80650897" y3="-2.48331759" z3="0.87424997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.10687401" y3="-2.71795999" z3="7.74478398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4195076" y3="-0.56975297" z3="6.78143621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21526081" y3="0.07794489" z3="6.39907605">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.17609255" y3="-1.80068002" z3="7.69467242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.07854592" y3="1.41540984" z3="11.47528967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.63462524" y3="2.15242555" z3="11.06693761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.10469521" y3="1.72723435" z3="11.17491234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.02366914" y3="1.47321646" z3="12.57717836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25582314" y3="0.01377864" z3="10.96369974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41804714" y3="-0.72709595" z3="11.43768909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28038745" y3="-0.24227314" z3="11.27540165">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.16442683" y3="-0.13824931" z3="9.44356632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.3103615" y3="-1.20519188" z3="9.18157211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.84790409" y3="0.12202474" z3="9.08706802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18990761" y3="0.73159767" z3="8.7024273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.28856165" y3="0.98901197" z3="9.19203978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74398723" y3="1.43487618" z3="7.95528792">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9623,-1.5092,10.5594;-3.5135,-.6093,10.1016;-3.7692,-1.4761,11.6479;-5.0589,-1.47,10.4103;-3.3686,-2.7708,9.9406;-3.7772,-3.6774,10.4317;-2.276,-2.7888,10.0933;-3.6302,-2.8993,8.4402;-4.7204,-2.9472,8.2564;-3.165,-3.8292,8.068;-1.8246,-1.7713,7.3923;-.0645,-.496,6.1371;.6219,-1.1563,6.6995;.3484,.5329,6.2239;-.0034,-.8923,4.6498;1.0355,-.7624,4.2774;-.6325,-.19,4.0681;-.4527,-2.3295,4.3821;-1.5278,-2.4172,4.6229;.0586,-2.9998,5.0956;-.2056,-2.8231,2.9533;-.4956,-3.8891,2.8885;.8801,-2.7884,2.7341;-.9577,-2.0409,1.8761;-2.0435,-2.0335,2.0836;-.624,-.9895,1.8313;-.8065,-2.4833,.8742;-1.1069,-2.718,7.7448;-1.4195,-.5698,6.7814;-2.2153,.0779,6.3991;-3.1761,-1.8007,7.6947;.0785,1.4154,11.4753;-.6346,2.1524,11.0669;1.1047,1.7272,11.1749;.0237,1.4732,12.5772;-.2558,.0138,10.9637;.418,-.7271,11.4377;-1.2804,-.2423,11.2754;-.1644,-.1382,9.4436;-.3104,-1.2052,9.1816;.8479,.122,9.0871;-1.1899,.7316,8.7024;-2.2886,.989,9.192;-.744,1.4349,7.9553;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605156148170</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007123709817 0.001313093723 0.029981397472 0.008703411240</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008444706 -0.003727767 0.000151771 0.000288858 0.000347462 0.000608919 0.001132967 0.001347104 0.001702190 0.002274092 0.002651734 0.002924211 0.003319748 0.004355834 0.004588470 0.005523368 0.006477710 0.006771052 0.007916519 0.010115273 0.011398685 0.012385386 0.015412482 0.018674287 0.021283802 0.024527790 0.026360737 0.027227963 0.030827220 0.032915135 0.034089521 0.036257695 0.036956561 0.038584942 0.040719768 0.044491942 0.046540201 0.047618020 0.051399853 0.052125670 0.052369726 0.054558802 0.057698625 0.058458515 0.059406164 0.066389240 0.067249255 0.069593474 0.072323256 0.074787180 0.077458225 0.077757150 0.078368318 0.080088960 0.082443256 0.087534339 0.088939928 0.098248739 0.100158400 0.101661221 0.106657626 0.109398106 0.112503736 0.113302410 0.115663782 0.129820119 0.132989578 0.135563675 0.137972645 0.142798011 0.145835684 0.157493472 0.163883791 0.168925454 0.172045203 0.178549264 0.179305936 0.187792699 0.194773958 0.203914373 0.210273601 0.218061480 0.231891283 0.251979963 0.252579784 0.291340369 0.310862134 0.341464191 0.385926122 0.414907223 0.430525770 0.475262557 0.505348602 0.544406612 0.586751713 0.611885624 0.658109275 0.662057304 0.736981243 0.747672038 0.750495284 0.755918820 0.769898776 0.777927161 0.785083615 0.789460290 0.797339559 0.803197123 0.805197685 0.814673657 0.821799642 0.831392946 0.846339296 0.848992028 0.856144253 0.864192756 0.892595400 0.900559779 0.901758678 0.905257876 0.917059469 0.919473789 0.933922798 0.977990132 1.450682035 1.540660711</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="-3.96887854" y3="-1.49657458" z3="10.55692232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52282258" y3="-0.59687601" z3="10.09627367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77986286" y3="-1.45660172" z3="11.64584189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.0651146" y3="-1.46477831" z3="10.40365322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36526858" y3="-2.75767281" z3="9.9465267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76757239" y3="-3.66422726" z3="10.44295398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27249045" y3="-2.76634941" z3="10.10054844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.6239246" y3="-2.89737885" z3="8.44662918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.71359495" y3="-2.95197471" z3="8.26107874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1530285" y3="-3.82702087" z3="8.08096674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.82229159" y3="-1.76939636" z3="7.39172708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06581832" y3="-0.49143616" z3="6.13371341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6240981" y3="-1.14872745" z3="6.69566902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34436139" y3="0.53888407" z3="6.21760166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00749135" y3="-0.88988424" z3="4.64688594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.02993478" y3="-0.75677161" z3="4.27139386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.64078999" y3="-0.19065168" z3="4.06583598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45218896" y3="-2.32920142" z3="4.38220444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52677132" y3="-2.42046161" z3="4.62440223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06236103" y3="-2.99666056" z3="5.09605979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20476638" y3="-2.82408069" z3="2.95398575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49033275" y3="-3.89133672" z3="2.89120473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88045414" y3="-2.7851633" z3="2.73357171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.96096118" y3="-2.04687805" z3="1.87632421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.04671667" y3="-2.04505189" z3="2.08393777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.63289893" y3="-0.99383912" z3="1.83058321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.80743914" y3="-2.48923701" z3="0.87491166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.10275725" y3="-2.7148476" z3="7.74301595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41900645" y3="-0.56718322" z3="6.78157092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21644552" y3="0.08011641" z3="6.40114171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.17356134" y3="-1.80084085" z3="7.69544694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.06751802" y3="1.40238371" z3="11.48273213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.64564209" y3="2.13681577" z3="11.07295756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.08377613" y3="1.70430273" z3="11.18648855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.00661452" y3="1.44323506" z3="12.58874451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25646223" y3="0.00414357" z3="10.95805381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42152806" y3="-0.73235607" z3="11.42976198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28576446" y3="-0.27073861" z3="11.25915343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15237704" y3="-0.13853384" z3="9.43659571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.28778295" y3="-1.2016098" z3="9.16990467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86540864" y3="0.1445697" z3="9.09139585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18332195" y3="0.72887566" z3="8.6985756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.28070053" y3="0.98534656" z3="9.19282447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73957019" y3="1.4350565" z3="7.9526017">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9689,-1.4966,10.5569;-3.5228,-.5969,10.0963;-3.7799,-1.4566,11.6458;-5.0651,-1.4648,10.4037;-3.3653,-2.7577,9.9465;-3.7676,-3.6642,10.443;-2.2725,-2.7663,10.1005;-3.6239,-2.8974,8.4466;-4.7136,-2.952,8.2611;-3.153,-3.827,8.081;-1.8223,-1.7694,7.3917;-.0658,-.4914,6.1337;.6241,-1.1487,6.6957;.3444,.5389,6.2176;-.0075,-.8899,4.6469;1.0299,-.7568,4.2714;-.6408,-.1907,4.0658;-.4522,-2.3292,4.3822;-1.5268,-2.4205,4.6244;.0624,-2.9967,5.0961;-.2048,-2.8241,2.954;-.4903,-3.8913,2.8912;.8805,-2.7852,2.7336;-.961,-2.0469,1.8763;-2.0467,-2.0451,2.0839;-.6329,-.9938,1.8306;-.8074,-2.4892,.8749;-1.1028,-2.7148,7.743;-1.419,-.5672,6.7816;-2.2164,.0801,6.4011;-3.1736,-1.8008,7.6954;.0675,1.4024,11.4827;-.6456,2.1368,11.073;1.0838,1.7043,11.1865;.0066,1.4432,12.5887;-.2565,.0041,10.9581;.4215,-.7324,11.4298;-1.2858,-.2707,11.2592;-.1524,-.1385,9.4366;-.2878,-1.2016,9.1699;.8654,.1446,9.0914;-1.1833,.7289,8.6986;-2.2807,.9853,9.1928;-.7396,1.4351,7.9526;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605161951613</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008204962505 0.001371246703 0.027066758914 0.008704173167</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008447726 -0.003493808 0.000151535 0.000288946 0.000341563 0.000610793 0.001132058 0.001350744 0.001702000 0.002273853 0.002652783 0.002931207 0.003325289 0.004356390 0.004598732 0.005523563 0.006475041 0.006770727 0.007919053 0.010114185 0.011403182 0.012387061 0.015411732 0.018677129 0.021283742 0.024546372 0.026703141 0.027227156 0.030842592 0.032915342 0.034090261 0.036308329 0.037590822 0.039196368 0.040719543 0.044493670 0.046540135 0.047620683 0.051403331 0.052124969 0.052362445 0.054556569 0.057709802 0.058467606 0.059405816 0.066715867 0.067252476 0.069830228 0.072335077 0.075296622 0.077504278 0.077760279 0.078469907 0.080108994 0.082445128 0.087756485 0.089055268 0.098248977 0.100160719 0.101669337 0.106659173 0.109397554 0.112832123 0.113311201 0.115663820 0.129820554 0.133031955 0.135564144 0.137972782 0.142808389 0.145836940 0.158342893 0.164895072 0.168989107 0.172084223 0.178604612 0.179298577 0.187826440 0.194818762 0.204535397 0.210409631 0.218056250 0.232023485 0.252079698 0.253158436 0.291337757 0.310866590 0.341466153 0.386488534 0.414944627 0.430525166 0.475290298 0.507751409 0.544415766 0.586752254 0.611885518 0.660607417 0.662351189 0.736984748 0.747673231 0.750495699 0.755919071 0.769898949 0.777927808 0.785084802 0.789493488 0.797340034 0.803500593 0.805212523 0.814708385 0.821801655 0.835208195 0.846346834 0.849064333 0.860455200 0.864198520 0.892596402 0.900609721 0.902078632 0.905309236 0.917794330 0.919569232 0.933925316 0.977997980 1.450699569 1.540679301</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="-3.97606509" y3="-1.48364948" z3="10.55478011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53266363" y3="-0.58389308" z3="10.09160321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79241411" y3="-1.43687596" z3="11.64441158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07189456" y3="-1.45973613" z3="10.39614803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36134293" y3="-2.74388663" z3="9.95360015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75649081" y3="-3.65047252" z3="10.45581089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26852782" y3="-2.74218066" z3="10.10889869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61697317" y3="-2.89561066" z3="8.45434924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70606197" y3="-2.95765978" z3="8.26743294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14001468" y3="-3.82475364" z3="8.09558992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8201161" y3="-1.76772065" z3="7.39127476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06823146" y3="-0.48677317" z3="6.12859806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62501153" y3="-1.14082135" z3="6.68993783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33846976" y3="0.54484296" z3="6.21029849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01113114" y3="-0.8872309" z3="4.6424613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.02488487" y3="-0.75061537" z3="4.26473169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.64827738" y3="-0.19150355" z3="4.06169319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45024143" y3="-2.32872732" z3="4.38116578">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52408995" y3="-2.42390234" z3="4.62474939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06784174" y3="-2.99259259" z3="5.09579722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20228464" y3="-2.82531181" z3="2.95367044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.48270097" y3="-3.89418657" z3="2.8934799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88251476" y3="-2.78144521" z3="2.73192104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.96378546" y3="-2.0538747" z3="1.87539941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.04932389" y3="-2.05788901" z3="2.08397939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64168118" y3="-0.99894989" z3="1.82778754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.80870706" y3="-2.49680181" z3="0.87444147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.09807499" y3="-2.71132621" z3="7.74220353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41997693" y3="-0.56524571" z3="6.77935937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21903168" y3="0.08029608" z3="6.40030087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.17091503" y3="-1.80149969" z3="7.6969835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.05590525" y3="1.37927857" z3="11.49466057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.65874359" y3="2.11712538" z3="11.09012881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.07974399" y3="1.70557743" z3="11.21059985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.00832133" y3="1.4161683" z3="12.5943812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25685392" y3="-0.01397024" z3="10.9537406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41888571" y3="-0.75152583" z3="11.42524699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28298726" y3="-0.28812144" z3="11.24483932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14363247" y3="-0.13443408" z3="9.43053982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.26927645" y3="-1.19787488" z3="9.14855335">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86776296" y3="0.15109971" z3="9.09100803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17758803" y3="0.73150412" z3="8.69501637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27325804" y3="0.98711343" z3="9.19347712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73770324" y3="1.4374442" z3="7.94732191">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9761,-1.4836,10.5548;-3.5327,-.5839,10.0916;-3.7924,-1.4369,11.6444;-5.0719,-1.4597,10.3961;-3.3613,-2.7439,9.9536;-3.7565,-3.6505,10.4558;-2.2685,-2.7422,10.1089;-3.617,-2.8956,8.4543;-4.7061,-2.9577,8.2674;-3.14,-3.8248,8.0956;-1.8201,-1.7677,7.3913;-.0682,-.4868,6.1286;.625,-1.1408,6.6899;.3385,.5448,6.2103;-.0111,-.8872,4.6425;1.0249,-.7506,4.2647;-.6483,-.1915,4.0617;-.4502,-2.3287,4.3812;-1.5241,-2.4239,4.6247;.0678,-2.9926,5.0958;-.2023,-2.8253,2.9537;-.4827,-3.8942,2.8935;.8825,-2.7814,2.7319;-.9638,-2.0539,1.8754;-2.0493,-2.0579,2.084;-.6417,-.9989,1.8278;-.8087,-2.4968,.8744;-1.0981,-2.7113,7.7422;-1.42,-.5652,6.7794;-2.219,.0803,6.4003;-3.1709,-1.8015,7.697;.0559,1.3793,11.4947;-.6587,2.1171,11.0901;1.0797,1.7056,11.2106;-.0083,1.4162,12.5944;-.2569,-.014,10.9537;.4189,-.7515,11.4252;-1.283,-.2881,11.2448;-.1436,-.1344,9.4305;-.2693,-1.1979,9.1486;.8678,.1511,9.091;-1.1776,.7315,8.695;-2.2733,.9871,9.1935;-.7377,1.4374,7.9473;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605169649442</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008857550886 0.001252621176 0.033789806148 0.008703590564</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008426746 -0.003132760 0.000151866 0.000290511 0.000338774 0.000611936 0.001133797 0.001391884 0.001703636 0.002297911 0.002652758 0.002945532 0.003334984 0.004356405 0.004598334 0.005533502 0.006488188 0.006776421 0.007923697 0.010114961 0.011429512 0.012401874 0.015457246 0.018676317 0.021283701 0.024548349 0.026754941 0.027227839 0.030841885 0.032915540 0.034090429 0.036321235 0.037750189 0.039492814 0.040719310 0.044493590 0.046540046 0.047621253 0.051451572 0.052139001 0.052510587 0.054653473 0.057708349 0.058511188 0.059405408 0.066794295 0.067251499 0.069935527 0.072336542 0.075687567 0.077538507 0.077763713 0.078495948 0.080116616 0.082444052 0.087874244 0.089244412 0.098273126 0.100177142 0.101742274 0.106660829 0.109396827 0.113011554 0.113327093 0.115664083 0.129821027 0.133022909 0.135565206 0.137971949 0.142813162 0.145840314 0.158821298 0.165763923 0.169022073 0.172118257 0.178662673 0.179563472 0.187839800 0.194879937 0.205384112 0.210864217 0.218052470 0.232157918 0.252095332 0.253962582 0.291337716 0.310867775 0.341465827 0.386594437 0.414949829 0.430525619 0.475300456 0.508909717 0.544416819 0.586752627 0.611886061 0.661714414 0.664719544 0.736983902 0.747674688 0.750495862 0.755920850 0.769899383 0.777927924 0.785084505 0.789492835 0.797340790 0.803537346 0.805216645 0.814709835 0.821804903 0.836730812 0.846355043 0.849099525 0.864176471 0.866231031 0.892596174 0.900652972 0.902461711 0.905386670 0.918373427 0.919743434 0.933924850 0.977997527 1.450707136 1.540680959</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="-3.98367365" y3="-1.47167683" z3="10.5517435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54190147" y3="-0.57215921" z3="10.08706918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80645558" y3="-1.41889872" z3="11.64216002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07859646" y3="-1.4538988" z3="10.38687233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35941481" y3="-2.73140088" z3="9.9595492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7497804" y3="-3.63702598" z3="10.46635978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26727961" y3="-2.72174082" z3="10.11731131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61053871" y3="-2.89401197" z3="8.46085932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.69886295" y3="-2.96259277" z3="8.2720918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12808243" y3="-3.82293121" z3="8.10899835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.81736321" y3="-1.76654657" z3="7.39117115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.07016567" y3="-0.48332183" z3="6.12426807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62562135" y3="-1.13454579" z3="6.68565618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33379686" y3="0.54955112" z3="6.20433098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01397987" y3="-0.88536861" z3="4.63874307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.02085706" y3="-0.74560623" z3="4.25895301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.65479378" y3="-0.19270164" z3="4.05845915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44890588" y3="-2.32864461" z3="4.38074661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52210352" y3="-2.42676452" z3="4.62625664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07219617" y3="-2.98939412" z3="5.09594687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20111395" y3="-2.82687265" z3="2.95388436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.47780811" y3="-3.8966882" z3="2.89583748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.88320207" y3="-2.7794865" z3="2.73059505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.9666091" y3="-2.05996708" z3="1.87545667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.05188643" y3="-2.06816392" z3="2.08503776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64892647" y3="-1.0039203" z3="1.82630251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.81051748" y3="-2.50352894" z3="0.87492903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0929899" y3="-2.7079168" z3="7.74459207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.42101976" y3="-0.56552334" z3="6.77530777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.22176138" y3="0.08028579" z3="6.39974738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.1681555" y3="-1.80258561" z3="7.69816803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.04752801" y3="1.36914866" z3="11.50401949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67210153" y3="2.10359162" z3="11.10436772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.0650923" y3="1.69510827" z3="11.22697288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.02928212" y3="1.38237849" z3="12.61278999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25237694" y3="-0.0235886" z3="10.94522557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.4322104" y3="-0.76572769" z3="11.40433582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.27759724" y3="-0.31610344" z3="11.23500826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13649035" y3="-0.13249069" z3="9.42460419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25219553" y3="-1.19289928" z3="9.13486311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8785658" y3="0.17223799" z3="9.09395062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17278318" y3="0.7340853" z3="8.69393915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26710323" y3="0.99044281" z3="9.19293962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73481561" y3="1.4372514" z3="7.94195179">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9837,-1.4717,10.5517;-3.5419,-.5722,10.0871;-3.8065,-1.4189,11.6422;-5.0786,-1.4539,10.3869;-3.3594,-2.7314,9.9595;-3.7498,-3.637,10.4664;-2.2673,-2.7217,10.1173;-3.6105,-2.894,8.4609;-4.6989,-2.9626,8.2721;-3.1281,-3.8229,8.109;-1.8174,-1.7665,7.3912;-.0702,-.4833,6.1243;.6256,-1.1345,6.6857;.3338,.5496,6.2043;-.014,-.8854,4.6387;1.0209,-.7456,4.259;-.6548,-.1927,4.0585;-.4489,-2.3286,4.3807;-1.5221,-2.4268,4.6263;.0722,-2.9894,5.0959;-.2011,-2.8269,2.9539;-.4778,-3.8967,2.8958;.8832,-2.7795,2.7306;-.9666,-2.06,1.8755;-2.0519,-2.0682,2.085;-.6489,-1.0039,1.8263;-.8105,-2.5035,.8749;-1.093,-2.7079,7.7446;-1.421,-.5655,6.7753;-2.2218,.0803,6.3997;-3.1682,-1.8026,7.6982;.0475,1.3691,11.504;-.6721,2.1036,11.1044;1.0651,1.6951,11.227;-.0293,1.3824,12.6128;-.2524,-.0236,10.9452;.4322,-.7657,11.4043;-1.2776,-.3161,11.235;-.1365,-.1325,9.4246;-.2522,-1.1929,9.1349;.8786,.1722,9.094;-1.1728,.7341,8.6939;-2.2671,.9904,9.1929;-.7348,1.4373,7.942;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605160012299</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008725658180 0.001243520967 0.024676794758 0.008703090350</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.009068874 -0.002987145 0.000151949 0.000293109 0.000339610 0.000661185 0.001133782 0.001390491 0.001705126 0.002336417 0.002653207 0.002954742 0.003347264 0.004359679 0.004624466 0.005553837 0.006487661 0.006804422 0.007926080 0.010116844 0.011563492 0.012530936 0.015815641 0.018679776 0.021283563 0.024553457 0.026767567 0.027230387 0.030843142 0.032915850 0.034090434 0.036323962 0.037817903 0.039523917 0.040719105 0.044494055 0.046540054 0.047625367 0.051514820 0.052152546 0.053005318 0.055145946 0.057716456 0.058699348 0.059416515 0.066783641 0.067252210 0.069928456 0.072337594 0.075751475 0.077536406 0.077763856 0.078501661 0.080115813 0.082443421 0.087973788 0.089448593 0.098320431 0.100211403 0.101942730 0.106663099 0.109396168 0.113118911 0.113362439 0.115663930 0.129821270 0.133023470 0.135566180 0.137971347 0.142844626 0.145855887 0.159096684 0.166324724 0.169044278 0.172141938 0.178675234 0.180414963 0.187846492 0.194928585 0.206348914 0.211918276 0.218090742 0.232260486 0.252112810 0.255409575 0.291335466 0.310867965 0.341466733 0.386609698 0.414949922 0.430525232 0.475300551 0.509374907 0.544416807 0.586752622 0.611886071 0.661829454 0.667537425 0.736983164 0.747731627 0.750497698 0.755923172 0.769899386 0.777928559 0.785084797 0.789495775 0.797344667 0.804430407 0.805367855 0.814710249 0.821810381 0.837437459 0.846359487 0.849113751 0.864184147 0.871795293 0.892596079 0.900660010 0.902675135 0.905466427 0.918543534 0.919899178 0.933924518 0.977996483 1.450751252 1.540692962</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="-3.98889856" y3="-1.46080748" z3="10.54770383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54879772" y3="-0.56113438" z3="10.0815782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81745048" y3="-1.40268488" z3="11.63878288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08321047" y3="-1.45022496" z3="10.37717957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35427434" y3="-2.71931038" z3="9.96370505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73862767" y3="-3.62548518" z3="10.47472214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26211608" y3="-2.7003029" z3="10.12367321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60104679" y3="-2.89151454" z3="8.46545318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.6885227" y3="-2.9662782" z3="8.27398347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11258015" y3="-3.81937075" z3="8.11936908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.81134239" y3="-1.76410857" z3="7.39055866">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06755683" y3="-0.4772964" z3="6.12136897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63262181" y3="-1.12617525" z3="6.68056526">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33468327" y3="0.55660004" z3="6.19754748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01815869" y3="-0.88218977" z3="4.63620719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.01450012" y3="-0.74052531" z3="4.25079803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.66366472" y3="-0.19234964" z3="4.05749542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45055481" y3="-2.32720258" z3="4.38309623">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5230739" y3="-2.42702208" z3="4.63068037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07323104" y3="-2.98489679" z3="5.09917458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20435758" y3="-2.82818093" z3="2.95698025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.47894216" y3="-3.89866042" z3="2.90182435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.87940306" y3="-2.77894357" z3="2.73172917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.97325244" y3="-2.06499236" z3="1.87845795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.05811847" y3="-2.07562212" z3="2.08976337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.6582437" y3="-1.00828381" z3="1.82723844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.81752218" y3="-2.50949418" z3="0.87839597">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08593492" y3="-2.70648614" z3="7.73787073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41527987" y3="-0.55895551" z3="6.78049033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21751104" y3="0.08533257" z3="6.40591041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16118564" y3="-1.80129961" z3="7.69897174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.0286742" y3="1.3476826" z3="11.50937139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.6922603" y3="2.07897695" z3="11.10535014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.05085534" y3="1.68962893" z3="11.24335534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.04987009" y3="1.36766601" z3="12.60781174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25649638" y3="-0.039941" z3="10.94340147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42473942" y3="-0.77256938" z3="11.41092632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28464162" y3="-0.33733871" z3="11.21510256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12211267" y3="-0.13376808" z3="9.41947208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.22751874" y3="-1.19256711" z3="9.12146551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88974017" y3="0.17776691" z3="9.0983366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16264334" y3="0.72897309" z3="8.68620482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25695873" y3="0.98417855" z3="9.18977533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72408403" y3="1.43856463" z3="7.94052408">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9889,-1.4608,10.5477;-3.5488,-.5611,10.0816;-3.8175,-1.4027,11.6388;-5.0832,-1.4502,10.3772;-3.3543,-2.7193,9.9637;-3.7386,-3.6255,10.4747;-2.2621,-2.7003,10.1237;-3.601,-2.8915,8.4655;-4.6885,-2.9663,8.274;-3.1126,-3.8194,8.1194;-1.8113,-1.7641,7.3906;-.0676,-.4773,6.1214;.6326,-1.1262,6.6806;.3347,.5566,6.1975;-.0182,-.8822,4.6362;1.0145,-.7405,4.2508;-.6637,-.1923,4.0575;-.4506,-2.3272,4.3831;-1.5231,-2.427,4.6307;.0732,-2.9849,5.0992;-.2044,-2.8282,2.957;-.4789,-3.8987,2.9018;.8794,-2.7789,2.7317;-.9733,-2.065,1.8785;-2.0581,-2.0756,2.0898;-.6582,-1.0083,1.8272;-.8175,-2.5095,.8784;-1.0859,-2.7065,7.7379;-1.4153,-.559,6.7805;-2.2175,.0853,6.4059;-3.1612,-1.8013,7.699;.0287,1.3477,11.5094;-.6923,2.079,11.1054;1.0509,1.6896,11.2434;-.0499,1.3677,12.6078;-.2565,-.0399,10.9434;.4247,-.7726,11.4109;-1.2846,-.3373,11.2151;-.1221,-.1338,9.4195;-.2275,-1.1926,9.1215;.8897,.1778,9.0983;-1.1626,.729,8.6862;-2.257,.9842,9.1898;-.7241,1.4386,7.9405;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605169731395</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.007281973738 0.001097073274 0.035129877238 0.008704290464</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.010660852 -0.001757209 0.000151706 0.000301536 0.000346296 0.000678309 0.001135933 0.001390674 0.001705182 0.002369718 0.002653894 0.002954120 0.003347352 0.004372399 0.004695030 0.005558711 0.006487523 0.006823851 0.007926174 0.010123097 0.011636213 0.012628783 0.016240856 0.018685501 0.021283388 0.024562905 0.026806218 0.027234532 0.030845275 0.032916075 0.034091244 0.036323573 0.037841952 0.039529059 0.040719781 0.044497674 0.046541071 0.047634698 0.051535796 0.052155920 0.053282838 0.055725453 0.057718697 0.059118390 0.059488769 0.066832448 0.067254269 0.069936046 0.072340030 0.075760035 0.077536503 0.077777693 0.078524143 0.080115249 0.082446747 0.088011019 0.089552049 0.098373392 0.100234952 0.102170025 0.106662952 0.109395647 0.113231099 0.113574886 0.115664046 0.129822657 0.133044698 0.135568432 0.137971306 0.142967981 0.145911008 0.159266061 0.166630390 0.169045534 0.172151362 0.178675376 0.181857916 0.187846736 0.194976235 0.206804392 0.212879833 0.218171439 0.232280041 0.252113035 0.256115259 0.291332989 0.310869814 0.341486331 0.386656015 0.414950298 0.430526518 0.475300461 0.509606624 0.544417012 0.586752849 0.611887235 0.661871962 0.669614662 0.736982367 0.747968597 0.750502841 0.755928960 0.769899468 0.777931857 0.785084898 0.789531082 0.797344898 0.805019909 0.806754543 0.814714501 0.821811953 0.837982684 0.846361380 0.849122326 0.864183033 0.876167569 0.892600918 0.900671425 0.902881897 0.905557511 0.918630992 0.919919524 0.933924651 0.977997632 1.450770441 1.540758586</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="-3.99102258" y3="-1.4512029" z3="10.54309296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5521694" y3="-0.5519121" z3="10.07515556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8240674" y3="-1.38799769" z3="11.63464184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08454976" y3="-1.44470999" z3="10.36824574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35037437" y3="-2.7098086" z3="9.966546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7326127" y3="-3.61439152" z3="10.48110037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25912108" y3="-2.68617464" z3="10.12880099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59283719" y3="-2.8899216" z3="8.46861183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67953016" y3="-2.97153014" z3="8.27525315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.09851518" y3="-3.81649503" z3="8.12760155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80693002" y3="-1.76003051" z3="7.39005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06845595" y3="-0.47344898" z3="6.11410533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63332234" y3="-1.1191323" z3="6.67436728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33113931" y3="0.56152871" z3="6.18764757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01850159" y3="-0.88223124" z3="4.63020348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0134521" y3="-0.74016364" z3="4.24428766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.66502159" y3="-0.19492607" z3="4.05027418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44858056" y3="-2.32853912" z3="4.38125898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52020911" y3="-2.43002471" z3="4.63210085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07842572" y3="-2.98361231" z3="5.09728519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.20545656" y3="-2.83264764" z3="2.95565371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.47827974" y3="-3.90393783" z3="2.90418609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.87758541" y3="-2.78204329" z3="2.72706567">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.97917535" y3="-2.07376052" z3="1.87717386">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06327314" y3="-2.08526726" z3="2.09224968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66582213" y3="-1.01658869" z3="1.82151097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8264237" y3="-2.5212933" z3="0.87781842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07848409" y3="-2.69803322" z3="7.74305373">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41554463" y3="-0.55824455" z3="6.77266434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21928822" y3="0.08507793" z3="6.39981472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15702693" y3="-1.80081946" z3="7.69867416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.01931023" y3="1.33642905" z3="11.52746669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.70416202" y3="2.06818163" z3="11.13100203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.03475711" y3="1.68079147" z3="11.2660497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06606109" y3="1.33253613" z3="12.63228722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25722577" y3="-0.04901299" z3="10.94097768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.43010751" y3="-0.78979373" z3="11.39635134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.27983566" y3="-0.3561022" z3="11.21295547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12037846" y3="-0.12490952" z3="9.41880897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21654617" y3="-1.18343913" z3="9.10441001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89167946" y3="0.19605698" z3="9.10595216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15875434" y3="0.74028636" z3="8.68873821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25108959" y3="0.99885439" z3="9.19199246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72281473" y3="1.44179106" z3="7.93488504">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.991,-1.4512,10.5431;-3.5522,-.5519,10.0752;-3.8241,-1.388,11.6346;-5.0845,-1.4447,10.3682;-3.3504,-2.7098,9.9665;-3.7326,-3.6144,10.4811;-2.2591,-2.6862,10.1288;-3.5928,-2.8899,8.4686;-4.6795,-2.9715,8.2753;-3.0985,-3.8165,8.1276;-1.8069,-1.76,7.39;-.0685,-.4734,6.1141;.6333,-1.1191,6.6744;.3311,.5615,6.1876;-.0185,-.8822,4.6302;1.0135,-.7402,4.2443;-.665,-.1949,4.0503;-.4486,-2.3285,4.3813;-1.5202,-2.43,4.6321;.0784,-2.9836,5.0973;-.2055,-2.8326,2.9557;-.4783,-3.9039,2.9042;.8776,-2.782,2.7271;-.9792,-2.0738,1.8772;-2.0633,-2.0853,2.0922;-.6658,-1.0166,1.8215;-.8264,-2.5213,.8778;-1.0785,-2.698,7.7431;-1.4155,-.5582,6.7727;-2.2193,.0851,6.3998;-3.157,-1.8008,7.6987;.0193,1.3364,11.5275;-.7042,2.0682,11.131;1.0348,1.6808,11.266;-.0661,1.3325,12.6323;-.2572,-.049,10.941;.4301,-.7898,11.3964;-1.2798,-.3561,11.213;-.1204,-.1249,9.4188;-.2165,-1.1834,9.1044;.8917,.1961,9.106;-1.1588,.7403,8.6887;-2.2511,.9989,9.192;-.7228,1.4418,7.9349;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605177377194</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004523514661 0.000863345843 0.033697346500 0.008704102700</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.011744048 -0.001471262 0.000152499 0.000308029 0.000350342 0.000655533 0.001142351 0.001415394 0.001705392 0.002390913 0.002655174 0.002958374 0.003363794 0.004382173 0.004821554 0.005561134 0.006487889 0.006845534 0.007926110 0.010151155 0.011657745 0.012672619 0.016356262 0.018683610 0.021285902 0.024562842 0.026804610 0.027237720 0.030846571 0.032916142 0.034094318 0.036327338 0.037861928 0.039548500 0.040719840 0.044506807 0.046542619 0.047649566 0.051537557 0.052156405 0.053309290 0.055724328 0.057717150 0.059200190 0.059531748 0.066873278 0.067253145 0.069986120 0.072339697 0.076119029 0.077543686 0.077937098 0.078790802 0.080138172 0.082456501 0.088006646 0.089540323 0.098394205 0.100241250 0.102269899 0.106669873 0.109395300 0.113257858 0.114224498 0.115664110 0.129822717 0.133065299 0.135569498 0.137970359 0.143086566 0.145997004 0.159350014 0.166714615 0.169045175 0.172152530 0.178678220 0.183146446 0.187846504 0.194995033 0.206890376 0.213193618 0.218261940 0.232280364 0.252110374 0.256177839 0.291331501 0.310869810 0.341508790 0.386666183 0.414950235 0.430529767 0.475300729 0.509851536 0.544418812 0.586753957 0.611899184 0.661891461 0.670059411 0.736982087 0.748609940 0.750511910 0.755938174 0.769899470 0.777934687 0.785084786 0.789856266 0.797345285 0.805061032 0.807574620 0.814716347 0.821812852 0.838557622 0.846363622 0.849123292 0.864181853 0.877187507 0.892607736 0.900678498 0.902877421 0.905555224 0.919163366 0.920905709 0.933924528 0.977999578 1.450779639 1.540848909</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="-3.99015597" y3="-1.44386438" z3="10.53750835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.55215565" y3="-0.54518556" z3="10.06794695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82597565" y3="-1.37679808" z3="11.62914384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08321216" y3="-1.44061587" z3="10.36006343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34491391" y3="-2.70252912" z3="9.96628725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.72528844" y3="-3.60665956" z3="10.48321481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25372947" y3="-2.67489731" z3="10.1300656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.58387888" y3="-2.88742924" z3="8.46852223">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.66982946" y3="-2.97273872" z3="8.27313634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.08580514" y3="-3.81303759" z3="8.13072602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7990339" y3="-1.75741262" z3="7.38797485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06351263" y3="-0.47069607" z3="6.10825666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6413711" y3="-1.11386328" z3="6.66810776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.33487693" y3="0.56516805" z3="6.17779665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01833864" y3="-0.88293189" z3="4.62504652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.01249745" y3="-0.74174071" z3="4.23491253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.66722136" y3="-0.19697907" z3="4.04575237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45033561" y3="-2.3294599" z3="4.38105408">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52098507" y3="-2.42933878" z3="4.63641515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07869506" y3="-2.9831935" z3="5.0967038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21335827" y3="-2.83671619" z3="2.95562138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.48756035" y3="-3.90754499" z3="2.90753374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86874422" y3="-2.78766749" z3="2.7223584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99051291" y3="-2.07953585" z3="1.87885274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.0737336" y3="-2.08926389" z3="2.09847331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.67615766" y3="-1.02311479" z3="1.81939231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.84230759" y3="-2.52949464" z3="0.88003871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06979615" y3="-2.69568351" z3="7.73983025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40881186" y3="-0.55583225" z3="6.77021148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21340501" y3="0.08909463" z3="6.40108685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14940468" y3="-1.79895244" z3="7.69749523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.0013605" y3="1.32356307" z3="11.53945704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.72797566" y3="2.05266574" z3="11.14126085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.02134632" y3="1.68606993" z3="11.29638388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.09975844" y3="1.31565156" z3="12.64189043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26085747" y3="-0.05784959" z3="10.94099762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.4262528" y3="-0.79386354" z3="11.39919274">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.2877268" y3="-0.37644925" z3="11.19768117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10828834" y3="-0.12371668" z3="9.41920394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.19755841" y3="-1.17620184" z3="9.1036997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90763516" y3="0.21316786" z3="9.12020089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14710721" y3="0.74186896" z3="8.68849868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23991186" y3="1.00090471" z3="9.18978934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.70981612" y3="1.442491" z3="7.93458698">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9902,-1.4439,10.5375;-3.5522,-.5452,10.0679;-3.826,-1.3768,11.6291;-5.0832,-1.4406,10.3601;-3.3449,-2.7025,9.9663;-3.7253,-3.6067,10.4832;-2.2537,-2.6749,10.1301;-3.5839,-2.8874,8.4685;-4.6698,-2.9727,8.2731;-3.0858,-3.813,8.1307;-1.799,-1.7574,7.388;-.0635,-.4707,6.1083;.6414,-1.1139,6.6681;.3349,.5652,6.1778;-.0183,-.8829,4.625;1.0125,-.7417,4.2349;-.6672,-.197,4.0458;-.4503,-2.3295,4.3811;-1.521,-2.4293,4.6364;.0787,-2.9832,5.0967;-.2134,-2.8367,2.9556;-.4876,-3.9075,2.9075;.8687,-2.7877,2.7224;-.9905,-2.0795,1.8789;-2.0737,-2.0893,2.0985;-.6762,-1.0231,1.8194;-.8423,-2.5295,.88;-1.0698,-2.6957,7.7398;-1.4088,-.5558,6.7702;-2.2134,.0891,6.4011;-3.1494,-1.799,7.6975;-.0014,1.3236,11.5395;-.728,2.0527,11.1413;1.0213,1.6861,11.2964;-.0998,1.3157,12.6419;-.2609,-.0578,10.941;.4263,-.7939,11.3992;-1.2877,-.3764,11.1977;-.1083,-.1237,9.4192;-.1976,-1.1762,9.1037;.9076,.2132,9.1202;-1.1471,.7419,8.6885;-2.2399,1.0009,9.1898;-.7098,1.4425,7.9346;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605156463813</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.008213763900 0.001133101888 0.031969118842 0.008704007240</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.011697985 -0.003524037 0.000153724 0.000309913 0.000347594 0.000673707 0.001137359 0.001412418 0.001705651 0.002416897 0.002653765 0.003008046 0.003514948 0.004396782 0.004975800 0.005561081 0.006494403 0.006838676 0.007949933 0.010168992 0.011654070 0.012663284 0.016344909 0.018687179 0.021296057 0.024564820 0.026812987 0.027236889 0.030849310 0.032916211 0.034093000 0.036325994 0.037907844 0.039694769 0.040720270 0.044505445 0.046542283 0.047646051 0.051540278 0.052156597 0.053339145 0.055834710 0.057728415 0.059189947 0.059525522 0.066866041 0.067253768 0.069970980 0.072357908 0.076453243 0.077541192 0.078180804 0.079656869 0.080800177 0.082454289 0.088111870 0.089543471 0.098432805 0.100244279 0.102280682 0.106698291 0.109398073 0.113271877 0.115583881 0.115734837 0.129826525 0.133334032 0.135585583 0.137970790 0.143191909 0.146095705 0.159339899 0.166718726 0.169057215 0.172153684 0.178696552 0.184598810 0.187868342 0.194995900 0.206883939 0.213170417 0.218262035 0.232285051 0.252108042 0.256516107 0.291332843 0.310872952 0.341508831 0.387181400 0.414961381 0.430529377 0.475304312 0.510141339 0.544420676 0.586753898 0.611902056 0.661894346 0.670293346 0.736982836 0.749540967 0.750552310 0.755961648 0.769899460 0.777934546 0.785084959 0.790164087 0.797347249 0.805068060 0.807576591 0.814716659 0.821814916 0.839405034 0.846363396 0.849128467 0.864192173 0.877168463 0.892607614 0.900678305 0.902964216 0.905594506 0.919284549 0.924425162 0.933927967 0.978000277 1.450793845 1.540848187</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="-3.98594776" y3="-1.43696551" z3="10.53147818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54984574" y3="-0.53818195" z3="10.06016549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82380892" y3="-1.36601189" z3="11.62318832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07886907" y3="-1.43754205" z3="10.35193986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.3360116" y3="-2.69555335" z3="9.96497801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.71456159" y3="-3.59957768" z3="10.4838266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24503702" y3="-2.66433958" z3="10.13041347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57221941" y3="-2.88478253" z3="8.46720185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.65774839" y3="-2.97334921" z3="8.27024059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.07128438" y3="-3.80997105" z3="8.1323969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78804326" y3="-1.75381051" z3="7.3857284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05624211" y3="-0.46704688" z3="6.10126604">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65113275" y3="-1.1083641" z3="6.65988559">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34100926" y3="0.56931289" z3="6.16736749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01610798" y3="-0.88286387" z3="4.61882195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.01336299" y3="-0.74405002" z3="4.22425716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.66649807" y3="-0.19770937" z3="4.04035424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45130426" y3="-2.32962086" z3="4.38110965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52099371" y3="-2.42680996" z3="4.64131668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07958518" y3="-2.98209143" z3="5.09669043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22188967" y3="-2.84169362" z3="2.9561728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.49825621" y3="-3.91239128" z3="2.91275473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.8591627" y3="-2.79520773" z3="2.71759615">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.00330026" y3="-2.08619932" z3="1.8810673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08550192" y3="-2.09351001" z3="2.10621998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.68752265" y3="-1.03030594" z3="1.81729782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86082976" y3="-2.53912407" z3="0.88275161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.05801645" y3="-2.69133197" z3="7.73862982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4000984" y3="-0.55353276" z3="6.76586662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20497713" y3="0.09280686" z3="6.40066864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13892122" y3="-1.796782" z3="7.69476807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.02177825" y3="1.31552311" z3="11.55458521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.75038248" y3="2.04191037" z3="11.15712855">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.9893772" y3="1.67218907" z3="11.30971724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.12051673" y3="1.29711438" z3="12.65580749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26988383" y3="-0.06450644" z3="10.94695818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41774295" y3="-0.79962593" z3="11.40638214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29470645" y3="-0.38773636" z3="11.1935266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10416213" y3="-0.11616645" z3="9.42665212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.18434124" y3="-1.17243363" z3="9.09114654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90442019" y3="0.21029956" z3="9.13314825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13694547" y3="0.75101432" z3="8.69104937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23115344" y3="1.01312659" z3="9.18675846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.69644805" y3="1.44527948" z3="7.93309223">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9859,-1.437,10.5315;-3.5498,-.5382,10.0602;-3.8238,-1.366,11.6232;-5.0789,-1.4375,10.3519;-3.336,-2.6956,9.965;-3.7146,-3.5996,10.4838;-2.245,-2.6643,10.1304;-3.5722,-2.8848,8.4672;-4.6577,-2.9733,8.2702;-3.0713,-3.81,8.1324;-1.788,-1.7538,7.3857;-.0562,-.467,6.1013;.6511,-1.1084,6.6599;.341,.5693,6.1674;-.0161,-.8829,4.6188;1.0134,-.7441,4.2243;-.6665,-.1977,4.0404;-.4513,-2.3296,4.3811;-1.521,-2.4268,4.6413;.0796,-2.9821,5.0967;-.2219,-2.8417,2.9562;-.4983,-3.9124,2.9128;.8592,-2.7952,2.7176;-1.0033,-2.0862,1.8811;-2.0855,-2.0935,2.1062;-.6875,-1.0303,1.8173;-.8608,-2.5391,.8828;-1.058,-2.6913,7.7386;-1.4001,-.5535,6.7659;-2.205,.0928,6.4007;-3.1389,-1.7968,7.6948;-.0218,1.3155,11.5546;-.7504,2.0419,11.1571;.9894,1.6722,11.3097;-.1205,1.2971,12.6558;-.2699,-.0645,10.947;.4177,-.7996,11.4064;-1.2947,-.3877,11.1935;-.1042,-.1162,9.4267;-.1843,-1.1724,9.0911;.9044,.2103,9.1331;-1.1369,.751,8.691;-2.2312,1.0131,9.1868;-.6964,1.4453,7.9331;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605099374476</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.013137758181 0.001831447268 0.029977130127 0.008703635570</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.011830417 -0.007417796 0.000153382 0.000310367 0.000355934 0.000685213 0.001137016 0.001419611 0.001705689 0.002414892 0.002662968 0.003027672 0.003569751 0.004397996 0.004978130 0.005563808 0.006495760 0.006836054 0.007939932 0.010169977 0.011653508 0.012667890 0.016436219 0.018698967 0.021303881 0.024566652 0.026819716 0.027237534 0.030856378 0.032916249 0.034091913 0.036330168 0.038050187 0.039884100 0.040722061 0.044508268 0.046542164 0.047645382 0.051542646 0.052159063 0.053446838 0.056417246 0.057804747 0.059236468 0.059628856 0.066995843 0.067262887 0.070007382 0.072408791 0.076538178 0.077540969 0.078274906 0.079873005 0.082452415 0.083516600 0.088629077 0.089546457 0.098485093 0.100246300 0.102290551 0.106730251 0.109399157 0.113277044 0.115657289 0.118678934 0.129829460 0.134369527 0.135775138 0.137986264 0.143176344 0.146235487 0.159373182 0.166944208 0.169131786 0.172172726 0.178755773 0.187416551 0.188770037 0.195000980 0.206880470 0.213188425 0.218367087 0.232406427 0.252106177 0.257936536 0.291332139 0.310881796 0.341508454 0.388538067 0.414991646 0.430530592 0.475306163 0.510502969 0.544422227 0.586753795 0.611902630 0.661904379 0.670894359 0.736993726 0.750423626 0.753046348 0.756256143 0.769899511 0.777935813 0.785085367 0.790280695 0.797348055 0.805068243 0.808135253 0.814746002 0.821816469 0.840954429 0.846363588 0.849137932 0.864191616 0.877164686 0.892613788 0.900716843 0.903390636 0.905741441 0.919317551 0.932880296 0.933930533 0.978020778 1.450797270 1.540877289</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="-3.97961281" y3="-1.43255037" z3="10.5259296">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54514611" y3="-0.53370885" z3="10.0532427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81909056" y3="-1.35918858" z3="11.61764346">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07218996" y3="-1.43567237" z3="10.34512184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.32669004" y3="-2.69083357" z3="9.96239716">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.70463938" y3="-3.59451226" z3="10.48188129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23611277" y3="-2.65794252" z3="10.12958022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.56039373" y3="-2.88242569" z3="8.46461158">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.64549905" y3="-2.97266104" z3="8.26617216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.05762305" y3="-3.80724399" z3="8.13157395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77680356" y3="-1.75062665" z3="7.38325846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04680844" y3="-0.46420091" z3="6.09784322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.66160123" y3="-1.10546074" z3="6.65502459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35166868" y3="0.57171851" z3="6.16151221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.01317338" y3="-0.88256387" z3="4.61599116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.01498144" y3="-0.74833096" z3="4.216868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.66348005" y3="-0.19625869" z3="4.03921618">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45462765" y3="-2.32812217" z3="4.38345247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52367169" y3="-2.42047511" z3="4.64774271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07619389" y3="-2.98055889" z3="5.09884369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23300289" y3="-2.84517435" z3="2.95920272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51294085" y3="-3.91512961" z3="2.92029179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84710904" y3="-2.80288534" z3="2.7156688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.0172642" y3="-2.09028062" z3="1.8857236">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.09840476" y3="-2.09394467" z3="2.11597656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.69900211" y3="-1.03532947" z3="1.81790965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.88082968" y3="-2.54615721" z3="0.887836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.04632218" y3="-2.68829551" z3="7.73530014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38937153" y3="-0.54897978" z3="6.76524098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19422647" y3="0.09686571" z3="6.40035433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12767005" y3="-1.79466108" z3="7.69177639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.04398616" y3="1.30415593" z3="11.55926043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.77206605" y3="2.0326754" z3="11.16321934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.97743177" y3="1.68330946" z3="11.32878468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.15049386" y3="1.27936158" z3="12.66179532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28269554" y3="-0.07298901" z3="10.94432641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40472654" y3="-0.80837467" z3="11.40672758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30525187" y3="-0.39707262" z3="11.18689736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10534218" y3="-0.12366196" z3="9.42569499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.18614052" y3="-1.16956925" z3="9.0987603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.92109267" y3="0.22601122" z3="9.15453046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12867781" y3="0.74972768" z3="8.68464787">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22538871" y3="1.01713649" z3="9.17257889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.67852736" y3="1.4442677" z3="7.93196162">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9796,-1.4326,10.5259;-3.5451,-.5337,10.0532;-3.8191,-1.3592,11.6176;-5.0722,-1.4357,10.3451;-3.3267,-2.6908,9.9624;-3.7046,-3.5945,10.4819;-2.2361,-2.6579,10.1296;-3.5604,-2.8824,8.4646;-4.6455,-2.9727,8.2662;-3.0576,-3.8072,8.1316;-1.7768,-1.7506,7.3833;-.0468,-.4642,6.0978;.6616,-1.1055,6.655;.3517,.5717,6.1615;-.0132,-.8826,4.616;1.015,-.7483,4.2169;-.6635,-.1963,4.0392;-.4546,-2.3281,4.3835;-1.5237,-2.4205,4.6477;.0762,-2.9806,5.0988;-.233,-2.8452,2.9592;-.5129,-3.9151,2.9203;.8471,-2.8029,2.7157;-1.0173,-2.0903,1.8857;-2.0984,-2.0939,2.116;-.699,-1.0353,1.8179;-.8808,-2.5462,.8878;-1.0463,-2.6883,7.7353;-1.3894,-.549,6.7652;-2.1942,.0969,6.4004;-3.1277,-1.7947,7.6918;-.044,1.3042,11.5593;-.7721,2.0327,11.1632;.9774,1.6833,11.3288;-.1505,1.2794,12.6618;-.2827,-.073,10.9443;.4047,-.8084,11.4067;-1.3053,-.3971,11.1869;-.1053,-.1237,9.4257;-.1861,-1.1696,9.0988;.9211,.226,9.1545;-1.1287,.7497,8.6846;-2.2254,1.0171,9.1726;-.6785,1.4443,7.932;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605030480986</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.015965770468 0.002331221666 0.027095261068 0.008704388343</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.012418145 -0.008668373 0.000153384 0.000310006 0.000365776 0.000670225 0.001137186 0.001431352 0.001708435 0.002414775 0.002662188 0.003049159 0.003636119 0.004405481 0.005065688 0.005563319 0.006491880 0.006835315 0.007946860 0.010172893 0.011657218 0.012679851 0.016533002 0.018704443 0.021303542 0.024566473 0.026874846 0.027237809 0.030857071 0.032916267 0.034094665 0.036345865 0.038269340 0.039964564 0.040729033 0.044507112 0.046542630 0.047644191 0.051546773 0.052159946 0.053542991 0.056711653 0.057784484 0.059343704 0.061093048 0.067195753 0.067407000 0.070113850 0.072471332 0.076576531 0.077541164 0.078396309 0.079894420 0.082452642 0.084682386 0.089522922 0.089892761 0.098511215 0.100246044 0.102306669 0.106757340 0.109400626 0.113280118 0.115658158 0.121204563 0.129830247 0.135157257 0.136887531 0.138097888 0.144135192 0.146271593 0.159738885 0.167736680 0.169442923 0.172246578 0.178842317 0.187655159 0.192716144 0.195163995 0.206906583 0.213477210 0.218864799 0.232622594 0.252105777 0.259718061 0.291340773 0.310936430 0.341509400 0.391813266 0.415062054 0.430534375 0.475316076 0.511713312 0.544433621 0.586756563 0.611902836 0.661930558 0.671664628 0.737018865 0.750449790 0.755502558 0.760773742 0.769901837 0.777946859 0.785086750 0.790345334 0.797349386 0.805080829 0.810129137 0.814887224 0.821818851 0.843904693 0.846367324 0.849163528 0.864195329 0.877842623 0.892625567 0.900779182 0.904375427 0.906579221 0.919323619 0.933928052 0.945533646 0.978109462 1.450797766 1.540887013</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="-3.9729479" y3="-1.42884422" z3="10.52145537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53828449" y3="-0.53068791" z3="10.04822244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81399441" y3="-1.35391226" z3="11.61323744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06507265" y3="-1.4321618" z3="10.33932701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.31924981" y3="-2.68762216" z3="9.96049476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.69797315" y3="-3.5903596" z3="10.48096237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.22889582" y3="-2.65393527" z3="10.12882123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.55117522" y3="-2.881017" z3="8.46270057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.63594806" y3="-2.97397616" z3="8.26351547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.04592792" y3="-3.80498367" z3="8.13109478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.76882189" y3="-1.74746116" z3="7.38130924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04029581" y3="-0.46451737" z3="6.0909795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.66783579" y3="-1.10467558" z3="6.650216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35753532" y3="0.5719238" z3="6.15297407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00671169" y3="-0.88571428" z3="4.61015151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.02182379" y3="-0.75627878" z3="4.21079068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.65482875" y3="-0.19801427" z3="4.03223409">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45477321" y3="-2.3296651" z3="4.38147535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52303488" y3="-2.41641922" z3="4.65100353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07635267" y3="-2.98312992" z3="5.09555279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24234961" y3="-2.84993988" z3="2.95737895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52630868" y3="-3.91877327" z3="2.9221652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83660337" y3="-2.81177541" z3="2.70771268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.03034852" y3="-2.09458918" z3="1.88721316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.1100877" y3="-2.09387579" z3="2.12435574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.7086705" y3="-1.04106119" z3="1.81519558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.901777" y3="-2.55311937" z3="0.88952084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.03684427" y3="-2.68204566" z3="7.73976054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38328611" y3="-0.55050759" z3="6.75594547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18835104" y3="0.09661827" z3="6.39280453">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12033493" y3="-1.79316268" z3="7.68923032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.06037514" y3="1.30131468" z3="11.57988645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.7903158" y3="2.02224826" z3="11.1771381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.95537911" y3="1.67426706" z3="11.35587994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.17346058" y3="1.27593664" z3="12.67608422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28931871" y3="-0.07395177" z3="10.95350514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39440031" y3="-0.81182451" z3="11.4140237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.32280306" y3="-0.41871027" z3="11.17605134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09662842" y3="-0.10763507" z3="9.43380529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.16840613" y3="-1.16200171" z3="9.08446524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.9163273" y3="0.22790185" z3="9.16116738">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.11965742" y3="0.76413232" z3="8.69006401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.21695377" y3="1.0338574" z3="9.17348744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.67040636" y3="1.44753612" z3="7.92901343">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9729,-1.4288,10.5215;-3.5383,-.5307,10.0482;-3.814,-1.3539,11.6132;-5.0651,-1.4322,10.3393;-3.3192,-2.6876,9.9605;-3.698,-3.5904,10.481;-2.2289,-2.6539,10.1288;-3.5512,-2.881,8.4627;-4.6359,-2.974,8.2635;-3.0459,-3.805,8.1311;-1.7688,-1.7475,7.3813;-.0403,-.4645,6.091;.6678,-1.1047,6.6502;.3575,.5719,6.153;-.0067,-.8857,4.6102;1.0218,-.7563,4.2108;-.6548,-.198,4.0322;-.4548,-2.3297,4.3815;-1.523,-2.4164,4.651;.0764,-2.9831,5.0956;-.2423,-2.8499,2.9574;-.5263,-3.9188,2.9222;.8366,-2.8118,2.7077;-1.0303,-2.0946,1.8872;-2.1101,-2.0939,2.1244;-.7087,-1.0411,1.8152;-.9018,-2.5531,.8895;-1.0368,-2.682,7.7398;-1.3833,-.5505,6.7559;-2.1884,.0966,6.3928;-3.1203,-1.7932,7.6892;-.0604,1.3013,11.5799;-.7903,2.0222,11.1771;.9554,1.6743,11.3559;-.1735,1.2759,12.6761;-.2893,-.074,10.9535;.3944,-.8118,11.414;-1.3228,-.4187,11.1761;-.0966,-.1076,9.4338;-.1684,-1.162,9.0845;.9163,.2279,9.1612;-1.1197,.7641,8.6901;-2.217,1.0339,9.1735;-.6704,1.4475,7.929;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605068438322</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.009658496279 0.002085186554 0.040240433741 0.008704229143</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013879833 -0.006794018 0.000154190 0.000317187 0.000362285 0.000692129 0.001139118 0.001450690 0.001708078 0.002415391 0.002662042 0.003072395 0.003797941 0.004407905 0.005057062 0.005567252 0.006491753 0.006839851 0.007950442 0.010174473 0.011656692 0.012675593 0.016577001 0.018716488 0.021303501 0.024566213 0.026881419 0.027238970 0.030875656 0.032916457 0.034110018 0.036369008 0.038398295 0.040080364 0.040749003 0.044511018 0.046542803 0.047652905 0.051560532 0.052160621 0.053590788 0.056706528 0.057865212 0.059375816 0.064821713 0.067223115 0.068175493 0.070178774 0.072517616 0.076651168 0.077546704 0.078729116 0.079894676 0.082452775 0.084597821 0.089515252 0.090914483 0.098509298 0.100257018 0.102543457 0.106778264 0.109401310 0.113279849 0.115658501 0.121796946 0.129830527 0.135199297 0.137039682 0.138142729 0.146140935 0.146348549 0.160320471 0.168464073 0.170660967 0.172646418 0.179032057 0.187654983 0.193847365 0.195498021 0.206948689 0.214102386 0.219859681 0.233005897 0.252104672 0.260165237 0.291354058 0.310992428 0.341525308 0.396299051 0.415237300 0.430539797 0.475348001 0.515298343 0.544457318 0.586758477 0.611905186 0.661941140 0.671871502 0.737023866 0.750451760 0.755636798 0.765188670 0.769904233 0.777984262 0.785087279 0.791937341 0.797352326 0.805097416 0.812638765 0.815256677 0.821824181 0.845987139 0.846426135 0.849190521 0.864195943 0.881136597 0.892646186 0.900854352 0.904875990 0.910458076 0.919325914 0.933927934 0.951340513 0.978162902 1.450809427 1.540902507</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="-3.96463488" y3="-1.42632135" z3="10.51648569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53096177" y3="-0.52776135" z3="10.04242416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80575496" y3="-1.35023583" z3="11.60828911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.05702234" y3="-1.43166901" z3="10.33402564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.30873763" y3="-2.68484322" z3="9.95680869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.68551649" y3="-3.58842649" z3="10.47811074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.21802563" y3="-2.64890052" z3="10.12510209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.54034601" y3="-2.87938274" z3="8.45905614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.62493985" y3="-2.97295503" z3="8.2593229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.03434638" y3="-3.80303086" z3="8.12783015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75803358" y3="-1.74485102" z3="7.37918295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03000611" y3="-0.46168659" z3="6.08933124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.67902677" y3="-1.10229602" z3="6.647007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36980376" y3="0.57421962" z3="6.14853546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00233217" y3="-0.88566403" z3="4.60864374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.02598345" y3="-0.76201312" z3="4.20618868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.64856271" y3="-0.19604231" z3="4.03073156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45843696" y3="-2.32810948" z3="4.38450278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52613656" y3="-2.40861299" z3="4.65812522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07193185" y3="-2.98281248" z3="5.09823669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25480245" y3="-2.85255716" z3="2.9605859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.54389048" y3="-3.92022738" z3="2.92934963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.82301216" y3="-2.81993598" z3="2.70558766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.04462156" y3="-2.09595606" z3="1.89272921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.12310472" y3="-2.09036004" z3="2.1351254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.71899052" y3="-1.04390159" z3="1.81744528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.92260171" y3="-2.55664561" z3="0.89529298">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02621323" y3="-2.68091777" z3="7.73394728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.37179965" y3="-0.54480437" z3="6.75890758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.17683118" y3="0.1016643" z3="6.39490587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.10952967" y3="-1.79133024" z3="7.68565422">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.08146956" y3="1.29634813" z3="11.57898235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.8112098" y3="2.01828623" z3="11.1738366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.9359017" y3="1.67247897" z3="11.36670367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.21370101" y3="1.26070627" z3="12.68431311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.30261889" y3="-0.0797885" z3="10.9489226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.37894728" y3="-0.81259145" z3="11.42040672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.32353814" y3="-0.40286796" z3="11.1719629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09717283" y3="-0.11615354" z3="9.43488869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.16772832" y3="-1.16257134" z3="9.0959122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.92460601" y3="0.22345439" z3="9.17667014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.11092375" y3="0.75920734" z3="8.68318825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.21011238" y3="1.03311339" z3="9.16153085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.65292088" y3="1.44613214" z3="7.92758311">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9646,-1.4263,10.5165;-3.531,-.5278,10.0424;-3.8058,-1.3502,11.6083;-5.057,-1.4317,10.334;-3.3087,-2.6848,9.9568;-3.6855,-3.5884,10.4781;-2.218,-2.6489,10.1251;-3.5403,-2.8794,8.4591;-4.6249,-2.973,8.2593;-3.0343,-3.803,8.1278;-1.758,-1.7449,7.3792;-.03,-.4617,6.0893;.679,-1.1023,6.647;.3698,.5742,6.1485;-.0023,-.8857,4.6086;1.026,-.762,4.2062;-.6486,-.196,4.0307;-.4584,-2.3281,4.3845;-1.5261,-2.4086,4.6581;.0719,-2.9828,5.0982;-.2548,-2.8526,2.9606;-.5439,-3.9202,2.9293;.823,-2.8199,2.7056;-1.0446,-2.096,1.8927;-2.1231,-2.0904,2.1351;-.719,-1.0439,1.8174;-.9226,-2.5566,.8953;-1.0262,-2.6809,7.7339;-1.3718,-.5448,6.7589;-2.1768,.1017,6.3949;-3.1095,-1.7913,7.6857;-.0815,1.2963,11.579;-.8112,2.0183,11.1738;.9359,1.6725,11.3667;-.2137,1.2607,12.6843;-.3026,-.0798,10.9489;.3789,-.8126,11.4204;-1.3235,-.4029,11.172;-.0972,-.1162,9.4349;-.1677,-1.1626,9.0959;.9246,.2235,9.1767;-1.1109,.7592,8.6832;-2.2101,1.0331,9.1615;-.6529,1.4461,7.9276;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605048560269</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.011229425522 0.001982094826 0.028016630267 0.008703780772</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014494536 -0.006594680 0.000156646 0.000318407 0.000377091 0.000661317 0.001143473 0.001488417 0.001712985 0.002425775 0.002661803 0.003073034 0.003836356 0.004408103 0.005060963 0.005567037 0.006495053 0.006835297 0.007957935 0.010175595 0.011654831 0.012673360 0.016651677 0.018741274 0.021306539 0.024577569 0.027232915 0.027316362 0.030971406 0.032916956 0.034123778 0.036388204 0.038408806 0.040441469 0.040813712 0.044512632 0.046544521 0.047655185 0.051570471 0.052160716 0.053588893 0.056790900 0.058054813 0.059400360 0.066782705 0.067239504 0.069972511 0.071223743 0.072587385 0.076726433 0.077563997 0.079028547 0.079906038 0.082454251 0.085986488 0.089817941 0.092251564 0.098562545 0.100285676 0.103067103 0.106805504 0.109403030 0.113279894 0.115658395 0.121767692 0.129834847 0.135197886 0.137093264 0.138152892 0.146080976 0.146463955 0.160605018 0.168637060 0.171534669 0.174157683 0.179426045 0.187715886 0.193913839 0.195460895 0.206945867 0.214123762 0.220016089 0.233081279 0.252104141 0.260190558 0.291359261 0.311015404 0.341542249 0.400156453 0.415506499 0.430554710 0.475385837 0.520993679 0.544474553 0.586758408 0.611907175 0.661949180 0.672079331 0.737024377 0.750451749 0.755643349 0.765340241 0.769905236 0.778000210 0.785088268 0.794110869 0.797375152 0.805107834 0.813560095 0.815937450 0.821825508 0.846304070 0.846859875 0.849208640 0.864197094 0.888618656 0.892647741 0.900869984 0.904936471 0.916840027 0.919414452 0.933929506 0.951527281 0.978162878 1.450834431 1.540919988</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="-3.95480637" y3="-1.42413783" z3="10.51217828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52204697" y3="-0.52559384" z3="10.03701957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.7958361" y3="-1.34701087" z3="11.60389686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.047092" y3="-1.42973516" z3="10.32981117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.29899841" y3="-2.68294401" z3="9.9533264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.67622785" y3="-3.58577853" z3="10.47470909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.20878561" y3="-2.64788248" z3="10.12167036">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.53049354" y3="-2.87782386" z3="8.45570803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.61499189" y3="-2.971605" z3="8.25598889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.02442841" y3="-3.80136716" z3="8.12445011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.74798527" y3="-1.74264624" z3="7.37746348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02043396" y3="-0.46200763" z3="6.0859972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.68792645" y3="-1.10271111" z3="6.64408677">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.38077295" y3="0.5732992" z3="6.14320814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00490151" y3="-0.88869786" z3="4.60597528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03393621" y3="-0.77204992" z3="4.20369574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63681978" y3="-0.19609844" z3="4.02676488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45988316" y3="-2.32869802" z3="4.38428472">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52682298" y3="-2.40333268" z3="4.66300853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07027897" y3="-2.98602981" z3="5.09566341">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.26685649" y3="-2.85563552" z3="2.95986993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56112301" y3="-3.92212686" z3="2.93197852">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.80965923" y3="-2.82855822" z3="2.69831155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.06008973" y3="-2.09705535" z3="1.89554485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.13700927" y3="-2.08538876" z3="2.14515695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.72959704" y3="-1.04659464" z3="1.81553749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.94742097" y3="-2.56068425" z3="0.89817795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.01656571" y3="-2.67828044" z3="7.73311784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.36133876" y3="-0.54285488" z3="6.75700245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.16649003" y3="0.10337729" z3="6.39238372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.09979239" y3="-1.78970451" z3="7.68242589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.10611492" y3="1.29217736" z3="11.58989042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.8294038" y3="2.01604569" z3="11.17888505">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.91364622" y3="1.67558348" z3="11.38339177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.23056009" y3="1.26551505" z3="12.68107516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.31586963" y3="-0.08008781" z3="10.95869424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.36433707" y3="-0.81772092" z3="11.42843331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.35155477" y3="-0.42531197" z3="11.16353558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09573244" y3="-0.11317195" z3="9.44314632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.16130149" y3="-1.16299075" z3="9.09392809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.93208865" y3="0.23463575" z3="9.19769701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.10244219" y3="0.76318267" z3="8.68258649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20345593" y3="1.04238452" z3="9.15347174">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.63753808" y3="1.44550359" z3="7.92922362">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9548,-1.4241,10.5122;-3.522,-.5256,10.037;-3.7958,-1.347,11.6039;-5.0471,-1.4297,10.3298;-3.299,-2.6829,9.9533;-3.6762,-3.5858,10.4747;-2.2088,-2.6479,10.1217;-3.5305,-2.8778,8.4557;-4.615,-2.9716,8.256;-3.0244,-3.8014,8.1245;-1.748,-1.7426,7.3775;-.0204,-.462,6.086;.6879,-1.1027,6.6441;.3808,.5733,6.1432;.0049,-.8887,4.606;1.0339,-.772,4.2037;-.6368,-.1961,4.0268;-.4599,-2.3287,4.3843;-1.5268,-2.4033,4.663;.0703,-2.986,5.0957;-.2669,-2.8556,2.9599;-.5611,-3.9221,2.932;.8097,-2.8286,2.6983;-1.0601,-2.0971,1.8955;-2.137,-2.0854,2.1452;-.7296,-1.0466,1.8155;-.9474,-2.5607,.8982;-1.0166,-2.6783,7.7331;-1.3613,-.5429,6.757;-2.1665,.1034,6.3924;-3.0998,-1.7897,7.6824;-.1061,1.2922,11.5899;-.8294,2.016,11.1789;.9136,1.6756,11.3834;-.2306,1.2655,12.6811;-.3159,-.0801,10.9587;.3643,-.8177,11.4284;-1.3516,-.4253,11.1635;-.0957,-.1132,9.4431;-.1613,-1.163,9.0939;.9321,.2346,9.1977;-1.1024,.7632,8.6826;-2.2035,1.0424,9.1535;-.6375,1.4455,7.9292;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605046289720</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.012205352909 0.001874268051 0.043834855877 0.008703455605</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014478733 -0.005925380 0.000159028 0.000318302 0.000370698 0.000672072 0.001142956 0.001495342 0.001713688 0.002440919 0.002661786 0.003077820 0.003876313 0.004410254 0.005102637 0.005570284 0.006512648 0.006840347 0.007960539 0.010179231 0.011672311 0.012700272 0.016701386 0.018745819 0.021307113 0.024594850 0.027238458 0.027977459 0.031086985 0.032917110 0.034123682 0.036389053 0.038416738 0.040671796 0.041123371 0.044512524 0.046545024 0.047655289 0.051570405 0.052161167 0.053597035 0.056945423 0.058257145 0.059421479 0.067002461 0.067250594 0.070062452 0.072331952 0.073421524 0.076720863 0.077563848 0.079020635 0.079946560 0.082461356 0.086989815 0.089983615 0.094681047 0.098661135 0.100321754 0.103658429 0.106848281 0.109405479 0.113280910 0.115659319 0.121781834 0.129841765 0.135211391 0.137338786 0.138256485 0.146336133 0.146513807 0.160656912 0.168668065 0.171639042 0.175041856 0.179774504 0.187841317 0.194938859 0.196263971 0.206988925 0.214166682 0.220018978 0.233087558 0.252102406 0.260214414 0.291360517 0.311021057 0.341550112 0.402930930 0.415758872 0.430566386 0.475418963 0.526201340 0.544502666 0.586758207 0.611914926 0.661950449 0.672877001 0.737031398 0.750452471 0.755643248 0.765579780 0.769906375 0.778004583 0.785088780 0.795612836 0.797421412 0.805115758 0.813639195 0.816051390 0.821827975 0.846324137 0.847203402 0.849222517 0.864198230 0.892645000 0.893790669 0.900879915 0.904941331 0.919059226 0.922134192 0.933936510 0.958992439 0.978191014 1.450901408 1.540928957</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="-3.94475229" y3="-1.42406642" z3="10.50798209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51268007" y3="-0.52599503" z3="10.03138755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.7841059" y3="-1.34616926" z3="11.59939832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.03722936" y3="-1.4293411" z3="10.32739374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.2903717" y3="-2.68359152" z3="9.94927686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.66869645" y3="-3.58587553" z3="10.47069985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.20001789" y3="-2.64980221" z3="10.11755034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.52160721" y3="-2.87759888" z3="8.45168687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.60602388" y3="-2.97024311" z3="8.2515891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.0160236" y3="-3.80131263" z3="8.12000911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73775211" y3="-1.74207484" z3="7.37664859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.00906458" y3="-0.46508167" z3="6.08454948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.69860395" y3="-1.10656917" z3="6.64276756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.39424746" y3="0.5695505" z3="6.13987547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01335996" y3="-0.89328849" z3="4.60485532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0431426" y3="-0.78373694" z3="4.20226643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62402771" y3="-0.19685369" z3="4.02535122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.46161107" y3="-2.32995004" z3="4.38426276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52747702" y3="-2.39755414" z3="4.6683873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0678509" y3="-2.99115354" z3="5.09239658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27984552" y3="-2.85747681" z3="2.95865469">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57964665" y3="-3.92224775" z3="2.93273065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.79510427" y3="-2.83584767" z3="2.69020993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.0762627" y3="-2.09553072" z3="1.8993216">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.15126927" y3="-2.07732608" z3="2.15675266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.7402524" y3="-1.04734125" z3="1.8155414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.97356162" y3="-2.56107541" z3="0.90184401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00681634" y3="-2.67794076" z3="7.73343972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.34966922" y3="-0.54239399" z3="6.75661008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.15397218" y3="0.10376031" z3="6.39047533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.0899014" y3="-1.78926198" z3="7.67932114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.12245373" y3="1.29580875" z3="11.59595759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.84734739" y3="2.01418192" z3="11.17764988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.89835378" y3="1.67862701" z3="11.40376745">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.27439495" y3="1.25790488" z3="12.69820045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.32666999" y3="-0.08041227" z3="10.95774655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.34651509" y3="-0.81344155" z3="11.43946429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.3551696" y3="-0.41618978" z3="11.15869127">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09288779" y3="-0.10938943" z3="9.44584978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15663311" y3="-1.15689577" z3="9.0984737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.92914602" y3="0.22820022" z3="9.20395782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.09483124" y3="0.76732326" z3="8.67909875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19760532" y3="1.04989846" z3="9.14374714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.62405456" y3="1.44716146" z3="7.92653244">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9448,-1.4241,10.508;-3.5127,-.526,10.0314;-3.7841,-1.3462,11.5994;-5.0372,-1.4293,10.3274;-3.2904,-2.6836,9.9493;-3.6687,-3.5859,10.4707;-2.2,-2.6498,10.1176;-3.5216,-2.8776,8.4517;-4.606,-2.9702,8.2516;-3.016,-3.8013,8.12;-1.7378,-1.7421,7.3766;-.0091,-.4651,6.0845;.6986,-1.1066,6.6428;.3942,.5696,6.1399;.0134,-.8933,4.6049;1.0431,-.7837,4.2023;-.624,-.1969,4.0254;-.4616,-2.33,4.3843;-1.5275,-2.3976,4.6684;.0679,-2.9912,5.0924;-.2798,-2.8575,2.9587;-.5796,-3.9222,2.9327;.7951,-2.8358,2.6902;-1.0763,-2.0955,1.8993;-2.1513,-2.0773,2.1568;-.7403,-1.0473,1.8155;-.9736,-2.5611,.9018;-1.0068,-2.6779,7.7334;-1.3497,-.5424,6.7566;-2.154,.1038,6.3905;-3.0899,-1.7893,7.6793;-.1225,1.2958,11.596;-.8473,2.0142,11.1776;.8984,1.6786,11.4038;-.2744,1.2579,12.6982;-.3267,-.0804,10.9577;.3465,-.8134,11.4395;-1.3552,-.4162,11.1587;-.0929,-.1094,9.4458;-.1566,-1.1569,9.0985;.9291,.2282,9.204;-1.0948,.7673,8.6791;-2.1976,1.0499,9.1437;-.6241,1.4472,7.9265;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605066987254</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.010106579197 0.001408228263 0.027779695753 0.008697968136</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014587638 -0.003131507 0.000180004 0.000344388 0.000362544 0.000637833 0.001142838 0.001507280 0.001718520 0.002441868 0.002672648 0.003085164 0.003880342 0.004413291 0.005111754 0.005570671 0.006534532 0.006839598 0.007960588 0.010182974 0.011690726 0.012721756 0.016710584 0.018746213 0.021307098 0.024614570 0.027238525 0.028749807 0.031239226 0.032917167 0.034128562 0.036389464 0.038438286 0.040711051 0.041453818 0.044514778 0.046544997 0.047656401 0.051571041 0.052161350 0.053623467 0.057076638 0.058431604 0.059442203 0.067031870 0.067252752 0.070062811 0.072369932 0.074080083 0.076729869 0.077570298 0.079072255 0.079994557 0.082476107 0.087120035 0.089971475 0.095973212 0.098732730 0.100341027 0.103869422 0.106873886 0.109407231 0.113282391 0.115660732 0.121799623 0.129843546 0.135218157 0.137430525 0.138338761 0.146368727 0.147630921 0.160654701 0.168678247 0.171642568 0.175057601 0.179785286 0.187882105 0.195094886 0.197584884 0.207147550 0.214636043 0.220520120 0.233191261 0.252103603 0.260214288 0.291362325 0.311028982 0.341552295 0.404625044 0.416077707 0.430572539 0.475431089 0.529371744 0.544533400 0.586759030 0.611914796 0.661950430 0.673441384 0.737036496 0.750453638 0.755643947 0.766474019 0.769910157 0.778005727 0.785089449 0.795661321 0.797425226 0.805115880 0.813660337 0.816059485 0.821828707 0.846329844 0.847323798 0.849239736 0.864200114 0.892654292 0.897911758 0.900879736 0.904946366 0.919085611 0.922545797 0.933937184 0.967287911 0.978302963 1.450953131 1.540929711</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="-3.93748625" y3="-1.42463699" z3="10.50285967">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50753321" y3="-0.52675263" z3="10.02304666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77325331" y3="-1.34473447" z3="11.59378265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.03081901" y3="-1.43150899" z3="10.32548934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.28336104" y3="-2.68488779" z3="9.94465784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.66181574" y3="-3.58760779" z3="10.46598393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.1927637" y3="-2.6513096" z3="10.11342795">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.51426003" y3="-2.87849003" z3="8.44678593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.59866028" y3="-2.96844496" z3="8.24534123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.01052794" y3="-3.8032052" z3="8.11490849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72681026" y3="-1.74427155" z3="7.37736246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="0.00494423" y3="-0.47038231" z3="6.08680463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.71106743" y3="-1.11481572" z3="6.64323568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.41255795" y3="0.56238003" z3="6.14129528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0218794" y3="-0.8982016" z3="4.60642144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05180942" y3="-0.79473979" z3="4.2023191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61192335" y3="-0.19743872" z3="4.02804946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.46236923" y3="-2.331794" z3="4.38446755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52714417" y3="-2.39437974" z3="4.67451481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06769538" y3="-2.99808864" z3="5.0876495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.29266927" y3="-2.85624111" z3="2.9561253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.5974068" y3="-3.91965889" z3="2.92988598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.78053793" y3="-2.83865716" z3="2.67993833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.09334217" y3="-2.08851079" z3="1.90402685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.16626132" y3="-2.06459936" z3="2.17008372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.75208287" y3="-1.04215359" z3="1.8182941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.00134132" y3="-2.55346118" z3="0.90535632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99805232" y3="-2.68144344" z3="7.73321098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.33465238" y3="-0.54160784" z3="6.76293349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.13825014" y3="0.10260212" z3="6.39156192">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07921699" y3="-1.79047004" z3="7.67512639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.1424148" y3="1.30131274" z3="11.59730533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.86300879" y3="2.02031473" z3="11.17249801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.87727933" y3="1.68145542" z3="11.40549785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.288811" y3="1.27588582" z3="12.688994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.34043809" y3="-0.07458802" z3="10.96539624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.33314007" y3="-0.80881727" z3="11.44976138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.37223596" y3="-0.41276302" z3="11.15997049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09584557" y3="-0.11280002" z3="9.45472527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15347415" y3="-1.16326144" z3="9.11032522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.93557898" y3="0.23148232" z3="9.22517794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.09041659" y3="0.75981818" z3="8.67211877">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19680668" y3="1.04637636" z3="9.12833799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.60939719" y3="1.44248326" z3="7.92731738">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 a27" order="S"/>
                        <bond atomRefs2="a24 a25" order="S"/>
                        <bond atomRefs2="a24 a26" order="S"/>
                        <bond atomRefs2="a29 a30" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9375,-1.4246,10.5029;-3.5075,-.5268,10.023;-3.7733,-1.3447,11.5938;-5.0308,-1.4315,10.3255;-3.2834,-2.6849,9.9447;-3.6618,-3.5876,10.466;-2.1928,-2.6513,10.1134;-3.5143,-2.8785,8.4468;-4.5987,-2.9684,8.2453;-3.0105,-3.8032,8.1149;-1.7268,-1.7443,7.3774;.0049,-.4704,6.0868;.7111,-1.1148,6.6432;.4126,.5624,6.1413;.0219,-.8982,4.6064;1.0518,-.7947,4.2023;-.6119,-.1974,4.028;-.4624,-2.3318,4.3845;-1.5271,-2.3944,4.6745;.0677,-2.9981,5.0876;-.2927,-2.8562,2.9561;-.5974,-3.9197,2.9299;.7805,-2.8387,2.6799;-1.0933,-2.0885,1.904;-2.1663,-2.0646,2.1701;-.7521,-1.0422,1.8183;-1.0013,-2.5535,.9054;-.9981,-2.6814,7.7332;-1.3347,-.5416,6.7629;-2.1383,.1026,6.3916;-3.0792,-1.7905,7.6751;-.1424,1.3013,11.5973;-.863,2.0203,11.1725;.8773,1.6815,11.4055;-.2888,1.2759,12.689;-.3404,-.0746,10.9654;.3331,-.8088,11.4498;-1.3722,-.4128,11.16;-.0958,-.1128,9.4547;-.1535,-1.1633,9.1103;.9356,.2315,9.2252;-1.0904,.7598,8.6721;-2.1968,1.0464,9.1283;-.6094,1.4425,7.9273;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605062099085</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004557053130 0.000857487388 0.027852282538 0.008707922367</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015148481 -0.001608608 0.000177938 0.000275041 0.000373807 0.000589216 0.001142777 0.001507657 0.001717811 0.002463825 0.002670444 0.003102050 0.003994812 0.004423775 0.005148648 0.005589184 0.006543589 0.006848714 0.007960736 0.010195117 0.011706022 0.012729584 0.016711450 0.018746610 0.021307467 0.024628840 0.027239366 0.029375834 0.031479953 0.032917240 0.034137817 0.036390052 0.038507925 0.040724048 0.041587280 0.044515792 0.046545038 0.047657531 0.051571976 0.052162293 0.053640554 0.057174972 0.058604548 0.059474190 0.067040157 0.067252881 0.070065635 0.072379064 0.074557624 0.076753840 0.077579857 0.079167222 0.080065337 0.082519322 0.087133420 0.090184219 0.096490988 0.098746988 0.100345631 0.103895016 0.106880117 0.109409956 0.113282295 0.115661062 0.121828496 0.129843722 0.135219430 0.137426082 0.138334043 0.146373395 0.148452769 0.160683627 0.168683155 0.171660898 0.175090608 0.179789599 0.187881385 0.195102264 0.197892745 0.207163779 0.214948454 0.221024227 0.233362570 0.252114046 0.260222117 0.291366678 0.311038223 0.341560744 0.405425151 0.416189900 0.430584481 0.475444815 0.530936996 0.544552887 0.586759414 0.611915333 0.661954186 0.673490103 0.737043607 0.750454315 0.755644195 0.766780487 0.769914116 0.778005714 0.785091554 0.795750485 0.797451237 0.805119235 0.813865694 0.816370183 0.821829288 0.846347319 0.847764231 0.849354668 0.864211315 0.892657091 0.900316804 0.900887861 0.904946956 0.919112371 0.922560303 0.933941032 0.969665363 0.978456378 1.450952718 1.540930874</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="-3.94016786" y3="-1.427355" z3="10.49844785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.50908949" y3="-0.53103102" z3="10.01763858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77744034" y3="-1.34493867" z3="11.58932798">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.03297393" y3="-1.43352871" z3="10.31967227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.28605379" y3="-2.68928333" z3="9.94373218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.66816211" y3="-3.59054413" z3="10.46411463">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.19640278" y3="-2.65772475" z3="10.11655483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.51188096" y3="-2.88411603" z3="8.44523042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.59572918" y3="-2.97271918" z3="8.2400957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.00853017" y3="-3.81030684" z3="8.11614045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7191651" y3="-1.75244451" z3="7.38179844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="0.01600312" y3="-0.4844355" z3="6.09038141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.71801923" y3="-1.13379849" z3="6.64578901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.42793752" y3="0.54620346" z3="6.14897516">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0334509" y3="-0.90643889" z3="4.6086818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0637788" y3="-0.8044392" z3="4.20569679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59785871" y3="-0.20143675" z3="4.03297786">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.4548834" y3="-2.33719346" z3="4.38010475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51760785" y3="-2.40051516" z3="4.67845886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08038721" y3="-3.00965998" z3="5.07366675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.29833127" y3="-2.85084628" z3="2.94633325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.60369396" y3="-3.91392856" z3="2.91551093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.77260904" y3="-2.83134655" z3="2.66013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.1092907" y3="-2.07568291" z3="1.90687479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.17965015" y3="-2.05151329" z3="2.18473061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.76698554" y3="-1.02946908" z3="1.82264111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.0291936" y3="-2.53515863" z3="0.90463119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99190513" y3="-2.68781215" z3="7.74526659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.32519074" y3="-0.55287298" z3="6.76265675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.12777422" y3="0.08918349" z3="6.38559761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07299965" y3="-1.79760122" z3="7.67384626">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.14171357" y3="1.3153766" z3="11.59693179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.85679165" y3="2.03504784" z3="11.16507084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.88542821" y3="1.69536951" z3="11.41533111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.30309921" y3="1.28890973" z3="12.69497065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.34355025" y3="-0.06275972" z3="10.96865744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.32438814" y3="-0.79367714" z3="11.46156086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.37838111" y3="-0.39813346" z3="11.16030262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.09677301" y3="-0.10804348" z3="9.45794246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.15791736" y3="-1.15889351" z3="9.12010556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.93046412" y3="0.23015964" z3="9.22325149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.09113733" y3="0.76139988" z3="8.67220013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.19872987" y3="1.04660057" z3="9.12544953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.6117741" y3="1.44078515" z3="7.92489358">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9402,-1.4274,10.4984;-3.5091,-.531,10.0176;-3.7774,-1.3449,11.5893;-5.033,-1.4335,10.3197;-3.2861,-2.6893,9.9437;-3.6682,-3.5905,10.4641;-2.1964,-2.6577,10.1166;-3.5119,-2.8841,8.4452;-4.5957,-2.9727,8.2401;-3.0085,-3.8103,8.1161;-1.7192,-1.7524,7.3818;.016,-.4844,6.0904;.718,-1.1338,6.6458;.4279,.5462,6.149;.0335,-.9064,4.6087;1.0638,-.8044,4.2057;-.5979,-.2014,4.033;-.4549,-2.3372,4.3801;-1.5176,-2.4005,4.6785;.0804,-3.0097,5.0737;-.2983,-2.8508,2.9463;-.6037,-3.9139,2.9155;.7726,-2.8313,2.6601;-1.1093,-2.0757,1.9069;-2.1797,-2.0515,2.1847;-.767,-1.0295,1.8226;-1.0292,-2.5352,.9046;-.9919,-2.6878,7.7453;-1.3252,-.5529,6.7627;-2.1278,.0892,6.3856;-3.073,-1.7976,7.6738;-.1417,1.3154,11.5969;-.8568,2.035,11.1651;.8854,1.6954,11.4153;-.3031,1.2889,12.695;-.3436,-.0628,10.9687;.3244,-.7937,11.4616;-1.3784,-.3981,11.1603;-.0968,-.108,9.4579;-.1579,-1.1589,9.1201;.9305,.2302,9.2233;-1.0911,.7614,8.6722;-2.1987,1.0466,9.1254;-.6118,1.4408,7.9249;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605072755876</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005116492177 0.000793592872 0.027876499045 0.008705255453</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015481179 -0.001765569 0.000010138 0.000246360 0.000414104 0.000635597 0.001143062 0.001552155 0.001736471 0.002540975 0.002681661 0.003096563 0.003947331 0.004423193 0.005182593 0.005575249 0.006546828 0.006843560 0.007962600 0.010193237 0.011705618 0.012731464 0.016711631 0.018749535 0.021309058 0.024635054 0.027239973 0.029747904 0.031746303 0.032918167 0.034150501 0.036391181 0.038517926 0.040733781 0.041643977 0.044516292 0.046545700 0.047657984 0.051574194 0.052162726 0.053655304 0.057304242 0.058735753 0.059475539 0.067053078 0.067254113 0.070067587 0.072381171 0.074862309 0.076757853 0.077615209 0.079225353 0.080102128 0.082519712 0.087184971 0.090463851 0.096556597 0.098748272 0.100345233 0.103896909 0.106882432 0.109410189 0.113283733 0.115661241 0.121862644 0.129843781 0.135223422 0.137494500 0.138356097 0.146402066 0.149191398 0.160714674 0.168685198 0.171664693 0.175294599 0.179881992 0.187886643 0.195105167 0.197882323 0.207232236 0.215073697 0.221661502 0.233462574 0.252115118 0.260364782 0.291379506 0.311050621 0.341591069 0.405717684 0.416255771 0.430586794 0.475448507 0.531411904 0.544565033 0.586760071 0.611915928 0.661954410 0.673545047 0.737050401 0.750454784 0.755649949 0.766829068 0.769916054 0.778009308 0.785093245 0.796384280 0.797575969 0.805126600 0.813926004 0.816487031 0.821830146 0.846353973 0.848022509 0.849382265 0.864227307 0.892657708 0.900861004 0.902427226 0.905079887 0.919113010 0.922654656 0.933957777 0.969755493 0.978454173 1.450953225 1.540945639</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="-3.95164447" y3="-1.42876594" z3="10.49628004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51749393" y3="-0.5334993" z3="10.01627121">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79456835" y3="-1.34498527" z3="11.58782611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.04356185" y3="-1.43451168" z3="10.31188571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.29565032" y3="-2.69195964" z3="9.94660777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.67973935" y3="-3.59235609" z3="10.46771888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.20638791" y3="-2.65969927" z3="10.12365585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.51596732" y3="-2.89024011" z3="8.44755534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.59915179" y3="-2.9792836" z3="8.23862206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.01146532" y3="-3.81728239" z3="8.12260014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.71966139" y3="-1.76168263" z3="7.3858181">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="0.01947227" y3="-0.4953408" z3="6.09749247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.71837782" y3="-1.14903235" z3="6.65207977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.4341935" y3="0.53416229" z3="6.16140686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.03902947" y3="-0.91041435" z3="4.61370074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06936326" y3="-0.80455743" z3="4.21168878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59322577" y3="-0.20361468" z3="4.04145405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44657613" y3="-2.34060851" z3="4.37698423">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5075236" y3="-2.40879775" z3="4.67995109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09398755" y3="-3.0171008" z3="5.06232921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.29505677" y3="-2.84284053" z3="2.93848415">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.59717517" y3="-3.90650452" z3="2.90051201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.77428928" y3="-2.81784136" z3="2.64760887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.11273297" y3="-2.06198029" z3="1.90905616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.18170479" y3="-2.04344823" z3="2.19127532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.77460864" y3="-1.01416867" z3="1.83195481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.0350897" y3="-2.51311861" z3="0.90313117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.99353079" y3="-2.69654665" z3="7.75295529">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.32381601" y3="-0.56293844" z3="6.765976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.12555104" y3="0.07785621" z3="6.38455536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.07425187" y3="-1.80560777" z3="7.67488546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.13111065" y3="1.32985218" z3="11.58824225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.85117983" y3="2.04841346" z3="11.16070572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.88807253" y3="1.7022938" z3="11.38745461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.27616653" y3="1.31404414" z3="12.68164059">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.33732102" y3="-0.05432623" z3="10.97033168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.33523993" y3="-0.78515437" z3="11.45964544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.36741501" y3="-0.38484342" z3="11.17605179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10098783" y3="-0.11059788" z3="9.4592963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.16410729" y3="-1.16484875" z3="9.13011328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.92688151" y3="0.22514797" z3="9.21719974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.09766625" y3="0.75425184" z3="8.67180832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.20638197" y3="1.03691875" z3="9.12346168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.6187973" y3="1.434945" z3="7.92409845">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9516,-1.4288,10.4963;-3.5175,-.5335,10.0163;-3.7946,-1.345,11.5878;-5.0436,-1.4345,10.3119;-3.2957,-2.692,9.9466;-3.6797,-3.5924,10.4677;-2.2064,-2.6597,10.1237;-3.516,-2.8902,8.4476;-4.5992,-2.9793,8.2386;-3.0115,-3.8173,8.1226;-1.7197,-1.7617,7.3858;.0195,-.4953,6.0975;.7184,-1.149,6.6521;.4342,.5342,6.1614;.039,-.9104,4.6137;1.0694,-.8046,4.2117;-.5932,-.2036,4.0415;-.4466,-2.3406,4.377;-1.5075,-2.4088,4.68;.094,-3.0171,5.0623;-.2951,-2.8428,2.9385;-.5972,-3.9065,2.9005;.7743,-2.8178,2.6476;-1.1127,-2.062,1.9091;-2.1817,-2.0434,2.1913;-.7746,-1.0142,1.832;-1.0351,-2.5131,.9031;-.9935,-2.6965,7.753;-1.3238,-.5629,6.766;-2.1256,.0779,6.3846;-3.0743,-1.8056,7.6749;-.1311,1.3299,11.5882;-.8512,2.0484,11.1607;.8881,1.7023,11.3875;-.2762,1.314,12.6816;-.3373,-.0543,10.9703;.3352,-.7852,11.4596;-1.3674,-.3848,11.1761;-.101,-.1106,9.4593;-.1641,-1.1648,9.1301;.9269,.2251,9.2172;-1.0977,.7543,8.6718;-2.2064,1.0369,9.1235;-.6188,1.4349,7.9241;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605094892175</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004499787928 0.000781703601 0.030622871779 0.008703747122</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015696409 -0.001640330 -0.000019514 0.000261516 0.000392916 0.000624749 0.001150977 0.001594030 0.001793877 0.002610887 0.002760138 0.003093990 0.003987198 0.004433366 0.005358761 0.005581012 0.006560347 0.006855148 0.007967810 0.010194973 0.011713114 0.012746090 0.016731472 0.018749843 0.021308994 0.024636398 0.027240372 0.029835775 0.031896774 0.032917663 0.034154862 0.036391459 0.038519337 0.040733490 0.041637474 0.044516280 0.046545567 0.047658318 0.051575859 0.052162332 0.053665135 0.057343955 0.058932410 0.059533528 0.067057244 0.067254198 0.070070426 0.072387308 0.075445718 0.076762575 0.077623453 0.079258333 0.080139032 0.082542752 0.087434392 0.091044373 0.096564501 0.098770139 0.100350243 0.103987945 0.106883643 0.109409649 0.113283858 0.115662999 0.121981380 0.129844528 0.135228536 0.137572774 0.138505464 0.146438660 0.149676711 0.160786749 0.168694385 0.171723101 0.175513953 0.179974784 0.187902018 0.195117109 0.197909806 0.207236048 0.215174770 0.221995820 0.233506561 0.252124510 0.260557734 0.291376713 0.311061574 0.341590577 0.405753490 0.416270873 0.430587491 0.475449002 0.531547433 0.544574736 0.586760349 0.611916170 0.661954942 0.673855047 0.737052666 0.750455056 0.755653831 0.766848905 0.769917666 0.778009568 0.785093047 0.797194742 0.798636703 0.805142437 0.813997220 0.816588372 0.821830129 0.846355943 0.848282923 0.849565608 0.864230292 0.892657958 0.900885469 0.904188228 0.905079031 0.919148489 0.922664363 0.933961277 0.969824450 0.978455686 1.451034731 1.540952265</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="-3.96248497" y3="-1.43015079" z3="10.4985152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52529288" y3="-0.53559477" z3="10.01961961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80984914" y3="-1.34575181" z3="11.59071707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.0538216" y3="-1.43503725" z3="10.30968099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.30589764" y3="-2.69437188" z3="9.95268926">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.69139147" y3="-3.59334632" z3="10.47526962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.21705753" y3="-2.66206161" z3="10.13134721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.52382184" y3="-2.89640843" z3="8.45373459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.60673599" y3="-2.98771193" z3="8.24391062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.01788112" y3="-3.82369447" z3="8.13226042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.72720767" y3="-1.76939562" z3="7.39025362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="0.01335188" y3="-0.50303052" z3="6.10196458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.70943843" y3="-1.15935433" z3="6.65694596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.42806064" y3="0.52611864" z3="6.17262065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.04007182" y3="-0.91100482" z3="4.61651495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.07088648" y3="-0.7980752" z3="4.21784911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59435148" y3="-0.20491142" z3="4.04546126">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43719878" y3="-2.34285594" z3="4.37248189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49690645" y3="-2.41901068" z3="4.67721736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10943255" y3="-3.02018004" z3="5.05256911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.28478009" y3="-2.83599125" z3="2.9308888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.58158506" y3="-3.90108903" z3="2.88662178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.78382938" y3="-2.80398906" z3="2.63917619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.1070889" y3="-2.0526888" z3="1.90719515">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.17561704" y3="-2.0415539" z3="2.19069917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.77452838" y3="-1.00241349" z3="1.83691077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.02786548" y3="-2.49692186" z3="0.89805293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.00033763" y3="-2.70128194" z3="7.7641269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.33297797" y3="-0.57453016" z3="6.76335166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.13458281" y3="0.0656225" z3="6.38070396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.08254762" y3="-1.81372892" z3="7.67824066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.1090872" y3="1.33613304" z3="11.57647324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.82381303" y3="2.05543342" z3="11.14421304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.9186954" y3="1.70517243" z3="11.37842562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.25548576" y3="1.32385906" z3="12.67587835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.33015462" y3="-0.04533892" z3="10.96998897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.34015666" y3="-0.77487944" z3="11.46261711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.36579874" y3="-0.37216336" z3="11.17736459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10389785" y3="-0.1103833" z3="9.45673841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.17344317" y3="-1.16568104" z3="9.1294398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.92362057" y3="0.22365454" z3="9.20660917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.10513945" y3="0.75349951" z3="8.67494485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2122023" y3="1.03307048" z3="9.13213271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.63507392" y3="1.43140599" z3="7.91995591">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9625,-1.4302,10.4985;-3.5253,-.5356,10.0196;-3.8098,-1.3458,11.5907;-5.0538,-1.435,10.3097;-3.3059,-2.6944,9.9527;-3.6914,-3.5933,10.4753;-2.2171,-2.6621,10.1313;-3.5238,-2.8964,8.4537;-4.6067,-2.9877,8.2439;-3.0179,-3.8237,8.1323;-1.7272,-1.7694,7.3903;.0134,-.503,6.102;.7094,-1.1594,6.6569;.4281,.5261,6.1726;.0401,-.911,4.6165;1.0709,-.7981,4.2178;-.5944,-.2049,4.0455;-.4372,-2.3429,4.3725;-1.4969,-2.419,4.6772;.1094,-3.0202,5.0526;-.2848,-2.836,2.9309;-.5816,-3.9011,2.8866;.7838,-2.804,2.6392;-1.1071,-2.0527,1.9072;-2.1756,-2.0416,2.1907;-.7745,-1.0024,1.8369;-1.0279,-2.4969,.8981;-1.0003,-2.7013,7.7641;-1.333,-.5745,6.7634;-2.1346,.0656,6.3807;-3.0825,-1.8137,7.6782;-.1091,1.3361,11.5765;-.8238,2.0554,11.1442;.9187,1.7052,11.3784;-.2555,1.3239,12.6759;-.3302,-.0453,10.97;.3402,-.7749,11.4626;-1.3658,-.3722,11.1774;-.1039,-.1104,9.4567;-.1734,-1.1657,9.1294;.9236,.2237,9.2066;-1.1051,.7535,8.6749;-2.2122,1.0331,9.1321;-.6351,1.4314,7.92;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605125466351</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.005921966372 0.000902748981 0.031392387911 0.008702818843</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016035752 -0.001431610 0.000036909 0.000260669 0.000404869 0.000621711 0.001157410 0.001615808 0.001829937 0.002645805 0.002916346 0.003113169 0.003999889 0.004434512 0.005461298 0.005603619 0.006557368 0.006861717 0.007974231 0.010201441 0.011744731 0.012789210 0.016775969 0.018751341 0.021309189 0.024636171 0.027241988 0.029833628 0.031905833 0.032917868 0.034154943 0.036393099 0.038526654 0.040735627 0.041693656 0.044515657 0.046545799 0.047658320 0.051576907 0.052162483 0.053673424 0.057364108 0.059106573 0.059617647 0.067067373 0.067263689 0.070070717 0.072396745 0.076321523 0.076766054 0.077651440 0.079255724 0.080157323 0.082553390 0.087563372 0.091491597 0.096579238 0.098813107 0.100362809 0.104098824 0.106888277 0.109409544 0.113283913 0.115664884 0.122069030 0.129844809 0.135250537 0.137663184 0.138781755 0.146489409 0.150229115 0.160858946 0.168698447 0.171743214 0.175684105 0.180092429 0.187904732 0.195126738 0.197949534 0.207272183 0.215300930 0.222470953 0.233542296 0.252135452 0.260947630 0.291380726 0.311063341 0.341593397 0.405799366 0.416282940 0.430588201 0.475449228 0.531565215 0.544575379 0.586760621 0.611917649 0.661955184 0.674504931 0.737054884 0.750455491 0.755654144 0.766917483 0.769920004 0.778010402 0.785092627 0.797315593 0.801355351 0.805173436 0.814005272 0.816593683 0.821832616 0.846356200 0.848297020 0.849566788 0.864230729 0.892658891 0.900889094 0.905004304 0.906363437 0.919155487 0.922700154 0.933961216 0.970020650 0.978487609 1.451067739 1.540952902</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="-3.97089758" y3="-1.43224617" z3="10.50262596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53040764" y3="-0.5387123" z3="10.02543502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82003993" y3="-1.34953824" z3="11.59502719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06155681" y3="-1.43360572" z3="10.31206595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.31684006" y3="-2.69731228" z3="9.95666266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.70467503" y3="-3.59494752" z3="10.47888889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.22833182" y3="-2.66756898" z3="10.13571531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.53452342" y3="-2.89937837" z3="8.45802462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.61736471" y3="-2.98977462" z3="8.2487167">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.0294578" y3="-3.82706042" z3="8.13705957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.73740954" y3="-1.77542639" z3="7.39129944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="0.00598008" y3="-0.50763423" z3="6.10842785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.69944487" y3="-1.1668982" z3="6.66301468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.42158542" y3="0.52081332" z3="6.18496974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.03780002" y3="-0.90937624" z3="4.62169378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06909561" y3="-0.79013606" z3="4.2258636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.59843923" y3="-0.20381008" z3="4.05248993">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43199332" y3="-2.34254355" z3="4.37146599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49195095" y3="-2.42473709" z3="4.67292684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.11512964" y3="-3.01900669" z3="5.0516105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.27263583" y3="-2.82990759" z3="2.92874441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56342549" y3="-3.89660042" z3="2.87914607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.79662609" y3="-2.79058802" z3="2.64023825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.09639648" y3="-2.04680494" z3="1.90589654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.16576038" y3="-2.04311915" z3="2.18614069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.76957231" y3="-0.99411498" z3="1.84158617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-1.01145183" y3="-2.48604094" z3="0.89500117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0113485" y3="-2.70894831" z3="7.7619933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.34223583" y3="-0.58044988" z3="6.76570566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.14317541" y3="0.06071377" z3="6.38310001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.09242274" y3="-1.81777351" z3="7.68214435">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.09251249" y3="1.34630345" z3="11.56754622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.81216456" y3="2.0665942" z3="11.14176916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.92830917" y3="1.71238746" z3="11.3508509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.22409337" y3="1.34196735" z3="12.66411698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.31639715" y3="-0.0439461" z3="10.96437145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.35901365" y3="-0.77363433" z3="11.45104293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.34671045" y3="-0.36754383" z3="11.18724797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.10527376" y3="-0.11433131" z3="9.45049262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.18121548" y3="-1.16970518" z3="9.13321368">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91711913" y3="0.21285444" z3="9.186171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.11281436" y3="0.74832091" z3="8.67545889">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.21871002" y3="1.02447574" z3="9.13610968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.64626119" y3="1.42817832" z3="7.92030054">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9709,-1.4322,10.5026;-3.5304,-.5387,10.0254;-3.82,-1.3495,11.595;-5.0616,-1.4336,10.3121;-3.3168,-2.6973,9.9567;-3.7047,-3.5949,10.4789;-2.2283,-2.6676,10.1357;-3.5345,-2.8994,8.458;-4.6174,-2.9898,8.2487;-3.0295,-3.8271,8.1371;-1.7374,-1.7754,7.3913;.006,-.5076,6.1084;.6994,-1.1669,6.663;.4216,.5208,6.185;.0378,-.9094,4.6217;1.0691,-.7901,4.2259;-.5984,-.2038,4.0525;-.432,-2.3425,4.3715;-1.492,-2.4247,4.6729;.1151,-3.019,5.0516;-.2726,-2.8299,2.9287;-.5634,-3.8966,2.8791;.7966,-2.7906,2.6402;-1.0964,-2.0468,1.9059;-2.1658,-2.0431,2.1861;-.7696,-.9941,1.8416;-1.0115,-2.486,.895;-1.0113,-2.7089,7.762;-1.3422,-.5804,6.7657;-2.1432,.0607,6.3831;-3.0924,-1.8178,7.6821;-.0925,1.3463,11.5675;-.8122,2.0666,11.1418;.9283,1.7124,11.3509;-.2241,1.342,12.6641;-.3164,-.0439,10.9644;.359,-.7736,11.451;-1.3467,-.3675,11.1872;-.1053,-.1143,9.4505;-.1812,-1.1697,9.1332;.9171,.2129,9.1862;-1.1128,.7483,8.6755;-2.2187,1.0245,9.1361;-.6463,1.4282,7.9203;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605152734936</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.004329672441 0.000738915890 0.029979636891 0.008702370180</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016078181 -0.001186548 0.000089055 0.000285730 0.000404487 0.000652435 0.001157654 0.001643325 0.001851114 0.002654984 0.002975693 0.003137676 0.004002154 0.004436360 0.005530674 0.005625640 0.006559080 0.006871083 0.007976682 0.010228055 0.011797780 0.012845598 0.016873596 0.018758519 0.021309097 0.024640174 0.027243243 0.029906991 0.031945780 0.032917656 0.034163052 0.036400475 0.038543247 0.040742167 0.041901857 0.044518937 0.046545998 0.047660269 0.051577300 0.052161274 0.053676539 0.057372469 0.059199296 0.059668384 0.067067329 0.067275564 0.070071791 0.072397472 0.076761523 0.077148331 0.077768723 0.079284899 0.080170208 0.082558634 0.087608286 0.091696495 0.096598913 0.098828814 0.100370578 0.104111587 0.106887861 0.109409592 0.113285017 0.115667825 0.122159259 0.129845175 0.135271543 0.137714058 0.138991659 0.146557570 0.150409806 0.160893919 0.168708049 0.171751262 0.175713218 0.180114526 0.187906677 0.195147549 0.197972525 0.207297815 0.215338349 0.222588395 0.233539258 0.252184737 0.261090325 0.291380474 0.311065729 0.341606859 0.406181386 0.416417748 0.430589400 0.475449451 0.531739953 0.544580697 0.586761304 0.611918057 0.661958948 0.675642726 0.737055576 0.750458977 0.755657610 0.767191756 0.769921559 0.778011724 0.785093263 0.797338814 0.803379203 0.805242111 0.814017447 0.816656461 0.821836076 0.846361744 0.848327131 0.849599028 0.864229814 0.892662512 0.900903245 0.905014790 0.907438389 0.919156315 0.922880328 0.933971227 0.970127413 0.978541042 1.451127894 1.540979401</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="-3.97644121" y3="-1.43536991" z3="10.50882968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53478994" y3="-0.54127608" z3="10.0333194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82461797" y3="-1.35487121" z3="11.60137011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06764125" y3="-1.43533494" z3="10.31884144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.32397287" y3="-2.70065628" z3="9.96048702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.71029796" y3="-3.59932291" z3="10.4835932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23440803" y3="-2.67039267" z3="10.13709452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.54538869" y3="-2.90233404" z3="8.46200001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.62889506" y3="-2.99266472" z3="8.25493678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.04121014" y3="-3.8303299" z3="8.14003282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.75000085" y3="-1.77800158" z3="7.39294134">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.00570035" y3="-0.50811964" z3="6.11236675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.68707883" y3="-1.16689252" z3="6.66919894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.4080937" y3="0.52138701" z3="6.1914072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.03295056" y3="-0.90776193" z3="4.62500101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06529267" y3="-0.78419218" z3="4.23359447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.6033129" y3="-0.20351147" z3="4.05406547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43020908" y3="-2.34215807" z3="4.36987454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49157312" y3="-2.42881702" z3="4.66485088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.1156028" y3="-3.01747966" z3="5.0521434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25999405" y3="-2.82604464" z3="2.92704766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.54559684" y3="-3.89362765" z3="2.87282822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.81063736" y3="-2.78137669" z3="2.6452809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.0804684" y3="-2.04423886" z3="1.90119194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.15159154" y3="-2.04683406" z3="2.17375339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.7587423" y3="-0.99002905" z3="1.84310886">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.98596629" y3="-2.47961254" z3="0.88960124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.02297685" y3="-2.71049381" z3="7.76507593">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.35573917" y3="-0.58360902" z3="6.76559927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.15632744" y3="0.05769353" z3="6.38294162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.10469076" y3="-1.82070426" z3="7.68471896">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.06882575" y3="1.34795067" z3="11.55304315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.78739009" y3="2.06895622" z3="11.12871196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.95430665" y3="1.70692619" z3="11.33007995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.19411373" y3="1.34793" z3="12.65381019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.30920511" y3="-0.03793924" z3="10.96478657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.36589001" y3="-0.76791113" z3="11.45070276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.34093024" y3="-0.35549358" z3="11.19446835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11067977" y3="-0.11593719" z3="9.44856983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.19003085" y3="-1.17422138" z3="9.12934999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.91415424" y3="0.21220717" z3="9.1774595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.12222346" y3="0.74630054" z3="8.67859888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.22561939" y3="1.02127493" z3="9.14705017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.66279715" y3="1.42632087" z3="7.91864457">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9764,-1.4354,10.5088;-3.5348,-.5413,10.0333;-3.8246,-1.3549,11.6014;-5.0676,-1.4353,10.3188;-3.324,-2.7007,9.9605;-3.7103,-3.5993,10.4836;-2.2344,-2.6704,10.1371;-3.5454,-2.9023,8.462;-4.6289,-2.9927,8.2549;-3.0412,-3.8303,8.14;-1.75,-1.778,7.3929;-.0057,-.5081,6.1124;.6871,-1.1669,6.6692;.4081,.5214,6.1914;.033,-.9078,4.625;1.0653,-.7842,4.2336;-.6033,-.2035,4.0541;-.4302,-2.3422,4.3699;-1.4916,-2.4288,4.6649;.1156,-3.0175,5.0521;-.26,-2.826,2.927;-.5456,-3.8936,2.8728;.8106,-2.7814,2.6453;-1.0805,-2.0442,1.9012;-2.1516,-2.0468,2.1738;-.7587,-.99,1.8431;-.986,-2.4796,.8896;-1.023,-2.7105,7.7651;-1.3557,-.5836,6.7656;-2.1563,.0577,6.3829;-3.1047,-1.8207,7.6847;-.0688,1.348,11.553;-.7874,2.069,11.1287;.9543,1.7069,11.3301;-.1941,1.3479,12.6538;-.3092,-.0379,10.9648;.3659,-.7679,11.4507;-1.3409,-.3555,11.1945;-.1107,-.1159,9.4486;-.19,-1.1742,9.1293;.9142,.2122,9.1775;-1.1222,.7463,8.6786;-2.2256,1.0213,9.1471;-.6628,1.4263,7.9186;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605174316763</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003120242512 0.000722340990 0.028875457574 0.008702382009</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016142744 -0.001021452 0.000112425 0.000287095 0.000417645 0.000681070 0.001159513 0.001661171 0.001856359 0.002659178 0.002976252 0.003143792 0.004000313 0.004439647 0.005549240 0.005624373 0.006565247 0.006876882 0.007978031 0.010225684 0.011823478 0.012874889 0.016971084 0.018775224 0.021309998 0.024645577 0.027243277 0.030039135 0.032094983 0.032918834 0.034184070 0.036408457 0.038557259 0.040748044 0.042162583 0.044524566 0.046546718 0.047659957 0.051577551 0.052164299 0.053678594 0.057373691 0.059231663 0.059714435 0.067069866 0.067283003 0.070077035 0.072398381 0.076764976 0.077449219 0.078163916 0.079370073 0.080200224 0.082564785 0.087609042 0.091754103 0.096628702 0.098832127 0.100376288 0.104114851 0.106889437 0.109410239 0.113287941 0.115670569 0.122183318 0.129845988 0.135291482 0.137744469 0.139100411 0.146580291 0.150494625 0.160912302 0.168713628 0.171752455 0.175713838 0.180121168 0.187914963 0.195146992 0.197972971 0.207330665 0.215412433 0.222672778 0.233540059 0.252225847 0.261263869 0.291380648 0.311070296 0.341624541 0.406712203 0.416528128 0.430589693 0.475456718 0.531941399 0.544603114 0.586761642 0.611918268 0.661966001 0.676588768 0.737055788 0.750459558 0.755663337 0.767273173 0.769925378 0.778011822 0.785096121 0.797364021 0.804606458 0.805532275 0.814052849 0.816806179 0.821842350 0.846370131 0.848541781 0.849829420 0.864229393 0.892662514 0.900903646 0.905028366 0.908254076 0.919161581 0.923046557 0.933974953 0.970143325 0.978551614 1.451202613 1.540987268</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="-3.97626053" y3="-1.44114682" z3="10.51684219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53314084" y3="-0.54698124" z3="10.04322146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82139339" y3="-1.36522272" z3="11.60914343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06760067" y3="-1.43615876" z3="10.33006888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.33042183" y3="-2.70645899" z3="9.96178851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.71975593" y3="-3.60445754" z3="10.48179267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24122728" y3="-2.68266867" z3="10.13557859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.55632231" y3="-2.90203425" z3="8.46351026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.64053151" y3="-2.98857729" z3="8.25962794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.05592178" y3="-3.83030914" z3="8.13691068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.761152" y3="-1.77809456" z3="7.39414362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.01610022" y3="-0.5061821" z3="6.11583751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.67610563" y3="-1.16543516" z3="6.67208899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.39728771" y3="0.52285713" z3="6.1973116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.02541903" y3="-0.90353324" z3="4.62839848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05828185" y3="-0.77595211" z3="4.23908841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61236471" y3="-0.2008242" z3="4.05691154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43198847" y3="-2.33967094" z3="4.37080022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.49551059" y3="-2.4303113" z3="4.657821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.11156154" y3="-3.01332267" z3="5.05698936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24877839" y3="-2.8236986" z3="2.92942584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53088319" y3="-3.89241785" z3="2.87368782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.82413653" y3="-2.77627303" z3="2.65699575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.06239317" y3="-2.04498872" z3="1.89546978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.13606879" y3="-2.05129445" z3="2.15795326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.74376069" y3="-0.98931887" z3="1.83944816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.95709083" y3="-2.48069457" z3="0.88473712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.03506021" y3="-2.71220061" z3="7.7632465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.36639837" y3="-0.58285217" z3="6.76836287">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.16736527" y3="0.05890933" z3="6.38668481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.11534695" y3="-1.81944993" z3="7.68835881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.05100133" y3="1.35499341" z3="11.54676728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.76781965" y3="2.07842423" z3="11.12362199">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.97192934" y3="1.70923364" z3="11.31417565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.16589371" y3="1.36166636" z3="12.64586655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.29919898" y3="-0.03603943" z3="10.95955112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.37739296" y3="-0.76758129" z3="11.44162331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.33015702" y3="-0.35006177" z3="11.1994707">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11513297" y3="-0.11985437" z3="9.44280737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.2046168" y3="-1.1759992" z3="9.13483784">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.9046778" y3="0.19828831" z3="9.15860486">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13111815" y3="0.74321079" z3="8.67947096">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23332823" y3="1.01511799" z3="9.15120244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.67404941" y3="1.42675268" z3="7.92212674">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9763,-1.4411,10.5168;-3.5331,-.547,10.0432;-3.8214,-1.3652,11.6091;-5.0676,-1.4362,10.3301;-3.3304,-2.7065,9.9618;-3.7198,-3.6045,10.4818;-2.2412,-2.6827,10.1356;-3.5563,-2.902,8.4635;-4.6405,-2.9886,8.2596;-3.0559,-3.8303,8.1369;-1.7612,-1.7781,7.3941;-.0161,-.5062,6.1158;.6761,-1.1654,6.6721;.3973,.5229,6.1973;.0254,-.9035,4.6284;1.0583,-.776,4.2391;-.6124,-.2008,4.0569;-.432,-2.3397,4.3708;-1.4955,-2.4303,4.6578;.1116,-3.0133,5.057;-.2488,-2.8237,2.9294;-.5309,-3.8924,2.8737;.8241,-2.7763,2.657;-1.0624,-2.045,1.8955;-2.1361,-2.0513,2.158;-.7438,-.9893,1.8394;-.9571,-2.4807,.8847;-1.0351,-2.7122,7.7632;-1.3664,-.5829,6.7684;-2.1674,.0589,6.3867;-3.1153,-1.8194,7.6884;-.051,1.355,11.5468;-.7678,2.0784,11.1236;.9719,1.7092,11.3142;-.1659,1.3617,12.6459;-.2992,-.036,10.9596;.3774,-.7676,11.4416;-1.3302,-.3501,11.1995;-.1151,-.1199,9.4428;-.2046,-1.176,9.1348;.9047,.1983,9.1586;-1.1311,.7432,8.6795;-2.2333,1.0151,9.1512;-.674,1.4268,7.9221;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605189954453</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003038073260 0.000588440217 0.029531753328 0.008707108138</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016097644 -0.000801833 0.000111838 0.000286395 0.000418814 0.000682407 0.001159350 0.001661176 0.001872312 0.002664539 0.002995250 0.003146778 0.004005782 0.004443933 0.005553131 0.005624315 0.006583558 0.006879832 0.007978011 0.010233524 0.011833982 0.012895170 0.017047316 0.018785459 0.021312346 0.024649329 0.027244472 0.030114989 0.032250710 0.032919822 0.034217200 0.036411502 0.038555233 0.040751281 0.042397113 0.044527397 0.046547904 0.047660180 0.051577556 0.052164687 0.053681472 0.057374206 0.059238323 0.059713229 0.067088028 0.067284607 0.070098794 0.072399020 0.076768120 0.077500824 0.078537617 0.079522804 0.080254178 0.082569700 0.087618480 0.091754281 0.096633799 0.098832219 0.100376746 0.104234151 0.106897320 0.109411165 0.113288173 0.115671343 0.122218183 0.129846088 0.135303761 0.137770917 0.139148377 0.146597186 0.150487317 0.160918900 0.168725658 0.171752586 0.175720484 0.180120970 0.187918960 0.195147472 0.197978620 0.207373107 0.215443804 0.222675405 0.233545431 0.252301702 0.261410153 0.291381969 0.311081618 0.341646355 0.407094079 0.416627490 0.430591230 0.475458031 0.532011221 0.544621749 0.586761748 0.611922780 0.661977583 0.677573995 0.737055600 0.750459772 0.755676353 0.767406049 0.769928260 0.778013569 0.785100775 0.797385401 0.804845578 0.805758268 0.814177786 0.817110874 0.821847410 0.846376106 0.848682897 0.850359529 0.864229797 0.892666851 0.900909440 0.905028911 0.908422671 0.919176438 0.923295230 0.933979693 0.970229704 0.978561427 1.451266311 1.541028135</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="-3.9758866" y3="-1.44920358" z3="10.52553678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5319838" y3="-0.55427693" z3="10.05387892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81435579" y3="-1.37933212" z3="11.61737579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06851386" y3="-1.43962039" z3="10.34500014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.33701939" y3="-2.71412237" z3="9.96105557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.72649534" y3="-3.61434021" z3="10.47892901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24612535" y3="-2.69372791" z3="10.12982065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57024078" y3="-2.90114448" z3="8.4625717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.65567115" y3="-2.98156122" z3="8.26263504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.07562464" y3="-3.83026387" z3="8.12942239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77368094" y3="-1.77754645" z3="7.39463204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.02644627" y3="-0.50536458" z3="6.11869688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.66567876" y3="-1.16403879" z3="6.67617592">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.38582985" y3="0.52436631" z3="6.20065406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01881899" y3="-0.90209544" z3="4.63103879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0524651" y3="-0.77283787" z3="4.24464039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61795752" y3="-0.19964245" z3="4.05850203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43559752" y3="-2.33842439" z3="4.37056214">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50131917" y3="-2.42903475" z3="4.64832708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.10174903" y3="-3.01126637" z3="5.06192177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23900915" y3="-2.82342363" z3="2.93115299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51946025" y3="-3.89217935" z3="2.87315094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83644315" y3="-2.77511131" z3="2.66853942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.04358956" y3="-2.0458801" z3="1.88942019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.11986948" y3="-2.05348807" z3="2.14130377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.72574779" y3="-0.99028908" z3="1.83684397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.92755908" y3="-2.48128221" z3="0.87988269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.04821385" y3="-2.712749" z3="7.76266691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.37742273" y3="-0.58201787" z3="6.7699343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.17735517" y3="0.06087023" z3="6.38833047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12740924" y3="-1.81694024" z3="7.69027614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.03265022" y3="1.36061446" z3="11.53579956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.75403755" y3="2.08644551" z3="11.12146555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.98854601" y3="1.71209764" z3="11.29164961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.1399631" y3="1.36899523" z3="12.63825389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.29072805" y3="-0.03032045" z3="10.95995246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.38802166" y3="-0.76102617" z3="11.43941634">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.32001131" y3="-0.33832898" z3="11.2097279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11747177" y3="-0.12046484" z3="9.44121049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.20618537" y3="-1.18163027" z3="9.13135736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90403191" y3="0.20061823" z3="9.14935796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.13902393" y3="0.74093111" z3="8.68347215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.23928319" y3="1.00968107" z3="9.16307871">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.68803732" y3="1.4277433" z3="7.924752">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9759,-1.4492,10.5255;-3.532,-.5543,10.0539;-3.8144,-1.3793,11.6174;-5.0685,-1.4396,10.345;-3.337,-2.7141,9.9611;-3.7265,-3.6143,10.4789;-2.2461,-2.6937,10.1298;-3.5702,-2.9011,8.4626;-4.6557,-2.9816,8.2626;-3.0756,-3.8303,8.1294;-1.7737,-1.7775,7.3946;-.0264,-.5054,6.1187;.6657,-1.164,6.6762;.3858,.5244,6.2007;.0188,-.9021,4.631;1.0525,-.7728,4.2446;-.618,-.1996,4.0585;-.4356,-2.3384,4.3706;-1.5013,-2.429,4.6483;.1017,-3.0113,5.0619;-.239,-2.8234,2.9312;-.5195,-3.8922,2.8732;.8364,-2.7751,2.6685;-1.0436,-2.0459,1.8894;-2.1199,-2.0535,2.1413;-.7257,-.9903,1.8368;-.9276,-2.4813,.8799;-1.0482,-2.7127,7.7627;-1.3774,-.582,6.7699;-2.1774,.0609,6.3883;-3.1274,-1.8169,7.6903;-.0327,1.3606,11.5358;-.754,2.0864,11.1215;.9885,1.7121,11.2916;-.14,1.369,12.6383;-.2907,-.0303,10.96;.388,-.761,11.4394;-1.32,-.3383,11.2097;-.1175,-.1205,9.4412;-.2062,-1.1816,9.1314;.904,.2006,9.1494;-1.139,.7409,8.6835;-2.2393,1.0097,9.1631;-.688,1.4277,7.9248;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605198307904</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003462488425 0.000630151358 0.027422092476 0.008707214669</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016090427 -0.001076645 0.000117164 0.000287400 0.000428436 0.000704232 0.001164898 0.001672562 0.001950078 0.002664245 0.003075135 0.003266858 0.004072548 0.004483165 0.005552661 0.005624535 0.006638494 0.006887895 0.007986297 0.010256058 0.011846526 0.012914018 0.017090996 0.018793457 0.021319510 0.024651498 0.027245740 0.030131280 0.032284368 0.032921584 0.034226040 0.036411676 0.038592357 0.040752040 0.042575869 0.044527747 0.046549089 0.047661057 0.051577509 0.052165475 0.053684130 0.057375222 0.059240376 0.059725836 0.067184669 0.067289724 0.070206226 0.072406945 0.076781198 0.077510753 0.078764292 0.079594243 0.080361417 0.082592708 0.087645613 0.091780936 0.096694400 0.098832638 0.100377360 0.104420660 0.106909207 0.109412397 0.113290902 0.115672336 0.122230447 0.129846072 0.135309644 0.137792310 0.139181905 0.146612126 0.150489185 0.160920240 0.168727765 0.171752683 0.175725551 0.180122758 0.187921408 0.195148827 0.197980546 0.207406648 0.215520404 0.222733573 0.233547099 0.252310685 0.261819307 0.291383068 0.311091403 0.341646945 0.407237021 0.416640488 0.430592470 0.475458312 0.532010383 0.544633421 0.586762962 0.611928216 0.661980984 0.678643249 0.737055908 0.750461351 0.755678672 0.767412164 0.769930045 0.778013868 0.785102122 0.797402345 0.804937193 0.805913244 0.814268852 0.817567681 0.821848770 0.846380116 0.848818733 0.851094405 0.864239592 0.892667838 0.900910393 0.905029103 0.908630034 0.919180824 0.923336271 0.933982068 0.970386825 0.978562098 1.451323781 1.541039496</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="-3.9729711" y3="-1.4568838" z3="10.53285097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53169166" y3="-0.56007575" z3="10.06159978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8053568" y3="-1.39073188" z3="11.62423153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06678582" y3="-1.4461967" z3="10.35804292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.33794367" y3="-2.72073825" z3="9.96057105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.72830677" y3="-3.62243161" z3="10.4744744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24704336" y3="-2.7044773" z3="10.12707842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57628382" y3="-2.9007224" z3="8.46173874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.66278776" y3="-2.97804891" z3="8.26469919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.0849176" y3="-3.83007735" z3="8.12329159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78092295" y3="-1.77500599" z3="7.39340924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03475149" y3="-0.49942375" z3="6.1197774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65851431" y3="-1.15664478" z3="6.6777027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.3760943" y3="0.53095716" z3="6.20082752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01125054" y3="-0.89788851" z3="4.63255332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04508617" y3="-0.76770441" z3="4.24695518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62608383" y3="-0.1970278" z3="4.05805047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44081595" y3="-2.33560172" z3="4.37305997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50881361" y3="-2.42676463" z3="4.64275479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09182787" y3="-3.00625787" z3="5.07076319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23226046" y3="-2.82409689" z3="2.93642987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51355934" y3="-3.89261058" z3="2.87839248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84549665" y3="-2.77796158" z3="2.68373533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.02563549" y3="-2.04799694" z3="1.88506007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.10428323" y3="-2.05406206" z3="2.12609148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.70629893" y3="-0.99265081" z3="1.83312188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.90013699" y3="-2.48563758" z3="0.87751389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.05590662" y3="-2.71246548" z3="7.7551902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38517607" y3="-0.57717593" z3="6.7722201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18594493" y3="0.06531566" z3="6.39129272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13400574" y3="-1.8137933" z3="7.6925568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.01377734" y3="1.36414142" z3="11.52928376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.72736734" y3="2.09057561" z3="11.10834078">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.00937381" y3="1.70239963" z3="11.2807945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.11304108" y3="1.38155988" z3="12.62949859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28708436" y3="-0.02569412" z3="10.95903758">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.38851971" y3="-0.76157338" z3="11.43672084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.31738089" y3="-0.32724538" z3="11.21653835">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12823588" y3="-0.12319967" z3="9.43986788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.23233827" y3="-1.17992837" z3="9.14266722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88931909" y3="0.18393388" z3="9.13766818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1490407" y3="0.74071436" z3="8.68394648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24962759" y3="1.00770246" z3="9.16303272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.69726677" y3="1.43088273" z3="7.92893878">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.973,-1.4569,10.5329;-3.5317,-.5601,10.0616;-3.8054,-1.3907,11.6242;-5.0668,-1.4462,10.358;-3.3379,-2.7207,9.9606;-3.7283,-3.6224,10.4745;-2.247,-2.7045,10.1271;-3.5763,-2.9007,8.4617;-4.6628,-2.978,8.2647;-3.0849,-3.8301,8.1233;-1.7809,-1.775,7.3934;-.0348,-.4994,6.1198;.6585,-1.1566,6.6777;.3761,.531,6.2008;.0113,-.8979,4.6326;1.0451,-.7677,4.247;-.6261,-.197,4.0581;-.4408,-2.3356,4.3731;-1.5088,-2.4268,4.6428;.0918,-3.0063,5.0708;-.2323,-2.8241,2.9364;-.5136,-3.8926,2.8784;.8455,-2.778,2.6837;-1.0256,-2.048,1.8851;-2.1043,-2.0541,2.1261;-.7063,-.9927,1.8331;-.9001,-2.4856,.8775;-1.0559,-2.7125,7.7552;-1.3852,-.5772,6.7722;-2.1859,.0653,6.3913;-3.134,-1.8138,7.6926;-.0138,1.3641,11.5293;-.7274,2.0906,11.1083;1.0094,1.7024,11.2808;-.113,1.3816,12.6295;-.2871,-.0257,10.959;.3885,-.7616,11.4367;-1.3174,-.3272,11.2165;-.1282,-.1232,9.4399;-.2323,-1.1799,9.1427;.8893,.1839,9.1377;-1.149,.7407,8.6839;-2.2496,1.0077,9.163;-.6973,1.4309,7.9289;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605198088418</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003426125201 0.000634265467 0.025707024171 0.008704761446</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016111530 -0.001208440 0.000120556 0.000299186 0.000429729 0.000698668 0.001164757 0.001696490 0.002020925 0.002671073 0.003106329 0.003476844 0.004223414 0.004601310 0.005566883 0.005626187 0.006704077 0.006912918 0.008017354 0.010302437 0.011871060 0.012966589 0.017120213 0.018791657 0.021324984 0.024651406 0.027247726 0.030130765 0.032287890 0.032921306 0.034225765 0.036414722 0.038753685 0.040752461 0.042722154 0.044531408 0.046549558 0.047666555 0.051579568 0.052166694 0.053697420 0.057379307 0.059265966 0.059792893 0.067267239 0.067476129 0.070408656 0.072425465 0.076810520 0.077520843 0.078970553 0.079619502 0.080523745 0.082647882 0.087659969 0.091847513 0.096857662 0.098834130 0.100377391 0.104683480 0.106923935 0.109412648 0.113290831 0.115672493 0.122255834 0.129846500 0.135311044 0.137807821 0.139238391 0.146619176 0.150512233 0.160920070 0.168728860 0.171754261 0.175728145 0.180126797 0.187921564 0.195167082 0.197986552 0.207412191 0.215624766 0.222771990 0.233600490 0.252316751 0.262547817 0.291385207 0.311115980 0.341661985 0.407251637 0.416640688 0.430592961 0.475458400 0.532204640 0.544635940 0.586770313 0.611949162 0.661981155 0.679851101 0.737055754 0.750462091 0.755680881 0.767417835 0.769930638 0.778016861 0.785103090 0.797408163 0.804959253 0.805913719 0.814411364 0.818409004 0.821848866 0.846380148 0.848897699 0.852214019 0.864248030 0.892668116 0.900910657 0.905029960 0.908660132 0.919181725 0.923345874 0.933983838 0.970464277 0.978582856 1.451346053 1.541086317</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="-3.97133453" y3="-1.46746506" z3="10.54008666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52565885" y3="-0.57119876" z3="10.07390627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8013369" y3="-1.40959944" z3="11.63108262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06468101" y3="-1.44793865" z3="10.36832842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34594659" y3="-2.73097656" z3="9.95794637">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.74104361" y3="-3.63303705" z3="10.4670237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25483083" y3="-2.72237533" z3="10.1218838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.58834183" y3="-2.90017094" z3="8.45876438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67540165" y3="-2.97197715" z3="8.26428062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10166721" y3="-3.82918873" z3="8.1132524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7919026" y3="-1.77330269" z3="7.39428748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04411679" y3="-0.49767952" z3="6.12168149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64825847" y3="-1.15487977" z3="6.68018851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36619288" y3="0.53247398" z3="6.20416086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00549477" y3="-0.89557981" z3="4.63460149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04030573" y3="-0.76453595" z3="4.25153088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63096244" y3="-0.19516452" z3="4.05874711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44474394" y3="-2.33368618" z3="4.37424399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51456612" y3="-2.42459035" z3="4.63717493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08362201" y3="-3.00356019" z3="5.07576667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2260358" y3="-2.82524523" z3="2.94017459">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51014883" y3="-3.89321642" z3="2.88205123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85408856" y3="-2.78302594" z3="2.6965649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.00783938" y3="-2.04848932" z3="1.8805834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08874386" y3="-2.05100106" z3="2.11189048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.68485537" y3="-0.99414521" z3="1.82984065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.87442996" y3="-2.4882782" z3="0.87494859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06718158" y3="-2.71091119" z3="7.75805445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39548653" y3="-0.57611532" z3="6.77209032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19562504" y3="0.06798287" z3="6.39258219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14441535" y3="-1.81091199" z3="7.69427697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.00335731" y3="1.37319754" z3="11.52055693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.71369452" y3="2.10667226" z3="11.11081212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.02582654" y3="1.7124101" z3="11.26038337">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.08823517" y3="1.39094996" z3="12.62367982">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27811932" y3="-0.02061219" z3="10.95690797">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39981941" y3="-0.7540032" z3="11.43261612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30710407" y3="-0.31530546" z3="11.22428249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12996211" y3="-0.12511861" z3="9.43704573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.23225348" y3="-1.18818631" z3="9.13883736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88890193" y3="0.18473098" z3="9.12561003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15707632" y3="0.73872449" z3="8.68970378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25599493" y3="1.00138275" z3="9.17555656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71049288" y3="1.43233469" z3="7.93438415">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9713,-1.4675,10.5401;-3.5257,-.5712,10.0739;-3.8013,-1.4096,11.6311;-5.0647,-1.4479,10.3683;-3.3459,-2.731,9.9579;-3.741,-3.633,10.467;-2.2548,-2.7224,10.1219;-3.5883,-2.9002,8.4588;-4.6754,-2.972,8.2643;-3.1017,-3.8292,8.1133;-1.7919,-1.7733,7.3943;-.0441,-.4977,6.1217;.6483,-1.1549,6.6802;.3662,.5325,6.2042;.0055,-.8956,4.6346;1.0403,-.7645,4.2515;-.631,-.1952,4.0587;-.4447,-2.3337,4.3742;-1.5146,-2.4246,4.6372;.0836,-3.0036,5.0758;-.226,-2.8252,2.9402;-.5101,-3.8932,2.8821;.8541,-2.783,2.6966;-1.0078,-2.0485,1.8806;-2.0887,-2.051,2.1119;-.6849,-.9941,1.8298;-.8744,-2.4883,.8749;-1.0672,-2.7109,7.7581;-1.3955,-.5761,6.7721;-2.1956,.068,6.3926;-3.1444,-1.8109,7.6943;.0034,1.3732,11.5206;-.7137,2.1067,11.1108;1.0258,1.7124,11.2604;-.0882,1.3909,12.6237;-.2781,-.0206,10.9569;.3998,-.754,11.4326;-1.3071,-.3153,11.2243;-.13,-.1251,9.437;-.2323,-1.1882,9.1388;.8889,.1847,9.1256;-1.1571,.7387,8.6897;-2.256,1.0014,9.1756;-.7105,1.4323,7.9344;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605205382948</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002794673944 0.000574279820 0.024558473188 0.008703119539</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016136697 -0.000832416 0.000124656 0.000300724 0.000430253 0.000698869 0.001165991 0.001720394 0.002022056 0.002685222 0.003122661 0.003473490 0.004278357 0.004681942 0.005603203 0.005626553 0.006775799 0.006932839 0.008073159 0.010341153 0.011888377 0.012989198 0.017119018 0.018800368 0.021325640 0.024655262 0.027247309 0.030140806 0.032338439 0.032921449 0.034228944 0.036418965 0.039031682 0.040759285 0.042794909 0.044535751 0.046549850 0.047670865 0.051585297 0.052166580 0.053700415 0.057379241 0.059275303 0.059856960 0.067269895 0.067742495 0.070679994 0.072448123 0.076846461 0.077519860 0.079162216 0.079616793 0.080673866 0.082720731 0.087660942 0.091888170 0.097175337 0.098834653 0.100377887 0.104813732 0.106930101 0.109415385 0.113295030 0.115672770 0.122259315 0.129849984 0.135311040 0.137814596 0.139322287 0.146638498 0.150536123 0.160922318 0.168730249 0.171754521 0.175728348 0.180128868 0.187938401 0.195181179 0.197989557 0.207421071 0.215678394 0.222812577 0.233695643 0.252351813 0.263341880 0.291393498 0.311147816 0.341695694 0.407265370 0.416641786 0.430596484 0.475469038 0.532617821 0.544639151 0.586788762 0.611953027 0.661981207 0.680868833 0.737055905 0.750466277 0.755685768 0.767425604 0.769930600 0.778028227 0.785105081 0.797426507 0.804964774 0.805914715 0.814458482 0.819258513 0.821855371 0.846386216 0.848966600 0.853133285 0.864249194 0.892672907 0.900910695 0.905036665 0.908679114 0.919197783 0.923458875 0.933986700 0.970468227 0.978600468 1.451356122 1.541118487</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="-3.97064941" y3="-1.47742274" z3="10.54833645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52865142" y3="-0.57805788" z3="10.08163518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79114877" y3="-1.42424037" z3="11.63874611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06657474" y3="-1.4585552" z3="10.38508257">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34914637" y3="-2.73881699" z3="9.9564765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.74242758" y3="-3.64438912" z3="10.4629503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25635431" y3="-2.73179494" z3="10.11482019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59945672" y3="-2.8989101" z3="8.45712937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68779817" y3="-2.96518952" z3="8.26705927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11844721" y3="-3.82822695" z3="8.10452074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80177789" y3="-1.77202669" z3="7.3942711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05214092" y3="-0.49572114" z3="6.12435499">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64054634" y3="-1.15202825" z3="6.6840556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35710795" y3="0.5352309" z3="6.20640491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00014773" y3="-0.89391456" z3="4.6372945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03513199" y3="-0.76184811" z3="4.25615466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63595347" y3="-0.19399445" z3="4.06028072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44834876" y3="-2.33216178" z3="4.37549527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51977765" y3="-2.42252345" z3="4.63078633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07475636" y3="-3.00115036" z3="5.08139699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21888646" y3="-2.82517383" z3="2.94380767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50479894" y3="-3.89239671" z3="2.88374537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86347219" y3="-2.78540653" z3="2.70938379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98991949" y3="-2.04717705" z3="1.87720976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07271279" y3="-2.04611911" z3="2.09983715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66298407" y3="-0.99402025" z3="1.82802105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.84987149" y3="-2.4883332" z3="0.87327058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07873439" y3="-2.71205452" z3="7.7536573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40363955" y3="-0.57385772" z3="6.77470225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20311751" y3="0.0707164" z3="6.39496351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15402382" y3="-1.80737543" z3="7.69617253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.02088863" y3="1.3806331" z3="11.50840155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.69571284" y3="2.10840345" z3="11.09275892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.04331782" y3="1.70821494" z3="11.24128706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06531992" y3="1.40944808" z3="12.61054668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27036295" y3="-0.0135145" z3="10.95813017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40885955" y3="-0.74972948" z3="11.43068921">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29885346" y3="-0.30443193" z3="11.23576084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13562274" y3="-0.12658605" z3="9.43670154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25140962" y3="-1.18632144" z3="9.14933317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87988865" y3="0.1715504" z3="9.11500541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16423712" y3="0.73727266" z3="8.69207152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26236178" y3="0.99700561" z3="9.18146913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72096123" y3="1.43438213" z3="7.93819493">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9706,-1.4774,10.5483;-3.5287,-.5781,10.0816;-3.7911,-1.4242,11.6387;-5.0666,-1.4586,10.3851;-3.3491,-2.7388,9.9565;-3.7424,-3.6444,10.463;-2.2564,-2.7318,10.1148;-3.5995,-2.8989,8.4571;-4.6878,-2.9652,8.2671;-3.1184,-3.8282,8.1045;-1.8018,-1.772,7.3943;-.0521,-.4957,6.1244;.6405,-1.152,6.6841;.3571,.5352,6.2064;-.0001,-.8939,4.6373;1.0351,-.7618,4.2562;-.636,-.194,4.0603;-.4483,-2.3322,4.3755;-1.5198,-2.4225,4.6308;.0748,-3.0012,5.0814;-.2189,-2.8252,2.9438;-.5048,-3.8924,2.8837;.8635,-2.7854,2.7094;-.9899,-2.0472,1.8772;-2.0727,-2.0461,2.0998;-.663,-.994,1.828;-.8499,-2.4883,.8733;-1.0787,-2.7121,7.7537;-1.4036,-.5739,6.7747;-2.2031,.0707,6.395;-3.154,-1.8074,7.6962;.0209,1.3806,11.5084;-.6957,2.1084,11.0928;1.0433,1.7082,11.2413;-.0653,1.4094,12.6105;-.2704,-.0135,10.9581;.4089,-.7497,11.4307;-1.2989,-.3044,11.2358;-.1356,-.1266,9.4367;-.2514,-1.1863,9.1493;.8799,.1716,9.115;-1.1642,.7373,8.6921;-2.2624,.997,9.1815;-.721,1.4344,7.9382;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605212596508</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002150158206 0.000442813810 0.032632521129 0.008697519035</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016140172 -0.000562938 0.000131490 0.000313584 0.000435761 0.000702460 0.001165565 0.001739952 0.002029938 0.002705451 0.003145692 0.003487095 0.004286887 0.004685382 0.005610318 0.005666751 0.006804970 0.006950024 0.008102475 0.010373284 0.011896010 0.012994097 0.017120261 0.018814704 0.021325942 0.024664970 0.027250071 0.030144805 0.032377828 0.032921622 0.034232452 0.036424004 0.039227599 0.040771366 0.042828688 0.044537460 0.046554737 0.047679368 0.051592295 0.052166928 0.053704615 0.057383199 0.059276243 0.059862450 0.067269965 0.067885086 0.070813866 0.072462695 0.076862808 0.077520138 0.079296790 0.079632631 0.080788875 0.082760935 0.087673280 0.091888161 0.097411264 0.098843328 0.100378386 0.104826135 0.106930014 0.109416389 0.113297347 0.115673000 0.122262966 0.129855062 0.135312785 0.137815734 0.139359993 0.146643948 0.150560309 0.160927169 0.168731402 0.171754796 0.175729186 0.180168689 0.187981666 0.195219334 0.197998888 0.207462569 0.215694933 0.222834808 0.233841007 0.252458450 0.263387090 0.291428095 0.311172595 0.341724099 0.407289393 0.416650525 0.430606937 0.475476625 0.532943670 0.544655056 0.586797971 0.611953629 0.661981988 0.681341455 0.737058423 0.750467983 0.755689129 0.767427867 0.769930890 0.778050056 0.785105130 0.797498324 0.804967647 0.805985111 0.814478798 0.819860133 0.821884623 0.846407786 0.848992158 0.853721233 0.864258537 0.892679120 0.900911428 0.905036686 0.908716735 0.919207802 0.923505805 0.934009711 0.970477691 0.978604082 1.451363745 1.541119535</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="-3.9697371" y3="-1.48802554" z3="10.55372794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52323759" y3="-0.58966838" z3="10.09241362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79086439" y3="-1.44163406" z3="11.64380489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06405647" y3="-1.46043224" z3="10.39068022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35640046" y3="-2.74972155" z3="9.95483088">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75620163" y3="-3.65412754" z3="10.45546151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26498164" y3="-2.75153249" z3="10.11386224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60778139" y3="-2.90186958" z3="8.45516736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.69642519" y3="-2.96482426" z3="8.26593635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12949702" y3="-3.83119825" z3="8.09832481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.8095477" y3="-1.77312405" z3="7.39468145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05894804" y3="-0.49520197" z3="6.12799901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63246358" y3="-1.15205505" z3="6.68845577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35021425" y3="0.5354959" z3="6.21224648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00339202" y3="-0.89247502" z3="4.64071616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03284907" y3="-0.75926608" z3="4.26226228">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63861024" y3="-0.19302891" z3="4.06194612">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.4497769" y3="-2.33157144" z3="4.37742702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52224052" y3="-2.42314866" z3="4.62863425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07119372" y3="-3.00006533" z3="5.08588098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21440977" y3="-2.82452798" z3="2.94651769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50453541" y3="-3.89052392" z3="2.88401755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86911698" y3="-2.78934205" z3="2.71829198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.9751522" y3="-2.04238566" z3="1.87592275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.05882021" y3="-2.03514438" z3="2.0924733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64225441" y3="-0.99100175" z3="1.82857248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.83199185" y3="-2.48441434" z3="0.87276764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08637761" y3="-2.71362116" z3="7.7530996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41177218" y3="-0.57472586" z3="6.77555828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21129106" y3="0.07031044" z3="6.39601353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16147282" y3="-1.80810669" z3="7.69818396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.04158197" y3="1.39135963" z3="11.49822416">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67050051" y3="2.12738003" z3="11.08695678">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06336593" y3="1.71426562" z3="11.21951665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.0326874" y3="1.42447807" z3="12.60108935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26511171" y3="-0.00507662" z3="10.95584863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41065446" y3="-0.74001152" z3="11.43160087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29303198" y3="-0.28494632" z3="11.24216179">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14418761" y3="-0.12939213" z3="9.43517404">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.26424881" y3="-1.19333226" z3="9.15289018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87130701" y3="0.16461399" z3="9.10240704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17514398" y3="0.73507139" z3="8.69458168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27335064" y3="0.99166284" z3="9.18453159">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73307031" y3="1.43427247" z3="7.94151199">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9697,-1.488,10.5537;-3.5232,-.5897,10.0924;-3.7909,-1.4416,11.6438;-5.0641,-1.4604,10.3907;-3.3564,-2.7497,9.9548;-3.7562,-3.6541,10.4555;-2.265,-2.7515,10.1139;-3.6078,-2.9019,8.4552;-4.6964,-2.9648,8.2659;-3.1295,-3.8312,8.0983;-1.8095,-1.7731,7.3947;-.0589,-.4952,6.128;.6325,-1.1521,6.6885;.3502,.5355,6.2122;-.0034,-.8925,4.6407;1.0328,-.7593,4.2623;-.6386,-.193,4.0619;-.4498,-2.3316,4.3774;-1.5222,-2.4231,4.6286;.0712,-3.0001,5.0859;-.2144,-2.8245,2.9465;-.5045,-3.8905,2.884;.8691,-2.7893,2.7183;-.9752,-2.0424,1.8759;-2.0588,-2.0351,2.0925;-.6423,-.991,1.8286;-.832,-2.4844,.8728;-1.0864,-2.7136,7.7531;-1.4118,-.5747,6.7756;-2.2113,.0703,6.396;-3.1615,-1.8081,7.6982;.0416,1.3914,11.4982;-.6705,2.1274,11.087;1.0634,1.7143,11.2195;-.0327,1.4245,12.6011;-.2651,-.0051,10.9558;.4107,-.74,11.4316;-1.293,-.2849,11.2422;-.1442,-.1294,9.4352;-.2642,-1.1933,9.1529;.8713,.1646,9.1024;-1.1751,.7351,8.6946;-2.2734,.9917,9.1845;-.7331,1.4343,7.9415;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605212432580</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001712395103 0.000394223719 0.028437163294 0.008699166691</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.016254522 -0.000483662 -0.000179226 0.000309099 0.000435677 0.000498891 0.001180687 0.001775340 0.002029155 0.002712836 0.003142861 0.003747088 0.004236096 0.004646163 0.005584326 0.005679287 0.006801738 0.006963758 0.008129454 0.010378421 0.011895840 0.012992787 0.017122832 0.018803095 0.021326537 0.024684394 0.027253241 0.030141291 0.032396558 0.032921641 0.034235328 0.036424817 0.039342651 0.040784928 0.042721451 0.044516005 0.046559014 0.047671575 0.051576164 0.052171159 0.053700488 0.057360726 0.059285773 0.059846955 0.067269465 0.067889409 0.070903491 0.072480465 0.076869855 0.077506547 0.079304754 0.079677013 0.080861239 0.082777224 0.087583336 0.091811767 0.097512801 0.098863015 0.100377839 0.104817222 0.106930313 0.109411193 0.113298158 0.115673405 0.122336637 0.129862718 0.135311016 0.137816406 0.139409143 0.146657046 0.150561469 0.160931047 0.168733882 0.171735983 0.175807920 0.180397140 0.188062792 0.195152892 0.197984737 0.207475431 0.215858157 0.222883568 0.233792291 0.252501395 0.263657331 0.291499583 0.311187917 0.341714291 0.407345253 0.416678937 0.430612222 0.475482577 0.533013398 0.544666567 0.586799549 0.611953192 0.661982285 0.681539108 0.737053623 0.750468073 0.755692554 0.767444328 0.769930610 0.778070203 0.785103936 0.797597595 0.804994384 0.806145205 0.814482614 0.820100638 0.821917712 0.846426518 0.849025047 0.854194683 0.864217801 0.892679082 0.900911278 0.905037572 0.908791398 0.919234870 0.923634127 0.934000890 0.970527982 0.978610730 1.451392244 1.541110956</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="-3.97339534" y3="-1.4981512" z3="10.55482734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52797858" y3="-0.59824853" z3="10.09250941">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.78842665" y3="-1.45388917" z3="11.64473818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06989256" y3="-1.47056833" z3="10.39704485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36351946" y3="-2.75966242" z3="9.95150642">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76320846" y3="-3.66605088" z3="10.45176632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2704315" y3="-2.76272285" z3="10.10748917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61797333" y3="-2.90645119" z3="8.45143558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70703583" y3="-2.96545558" z3="8.26333551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14318241" y3="-3.83608001" z3="8.09107023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.81641137" y3="-1.77798567" z3="7.39675572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.06140009" y3="-0.50188181" z3="6.13440881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62621986" y3="-1.16211843" z3="6.69506746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.34995979" y3="0.52741428" z3="6.22310985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-0.00123495" y3="-0.89449844" z3="4.64632452">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03663241" y3="-0.76410949" z3="4.27193509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63115671" y3="-0.19106529" z3="4.06785327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45162777" y3="-2.33039583" z3="4.37718628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52503078" y3="-2.41790871" z3="4.62399639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06333832" y3="-3.00262801" z3="5.08554655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21183082" y3="-2.82097653" z3="2.94625277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50494313" y3="-3.886345" z3="2.88012235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.8729392" y3="-2.78853892" z3="2.72278821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.96628716" y3="-2.03382928" z3="1.87428136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.05107851" y3="-2.02330651" z3="2.08671899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62943487" y3="-0.98315867" z3="1.83038118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.82105761" y3="-2.47462807" z3="0.87090705">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.09487995" y3="-2.71886699" z3="7.75765646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41634528" y3="-0.5801822" z3="6.77760621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21413136" y3="0.06496151" z3="6.3953692">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16890858" y3="-1.81198042" z3="7.69682417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.05838704" y3="1.40764123" z3="11.48365209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.65783394" y3="2.1392788" z3="11.07113652">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.08016642" y3="1.72332639" z3="11.19558753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.00989829" y3="1.45291524" z3="12.58688322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25479048" y3="0.00751899" z3="10.95953479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42697505" y3="-0.72759762" z3="11.43079244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28079002" y3="-0.2700579" z3="11.25963347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14814228" y3="-0.12963385" z3="9.43772686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.27852079" y3="-1.1930541" z3="9.16703696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86456876" y3="0.15460746" z3="9.0931358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18224081" y3="0.73330047" z3="8.70040094">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27943625" y3="0.98757491" z3="9.19482542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74509268" y3="1.43287595" z3="7.9452119">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9734,-1.4982,10.5548;-3.528,-.5982,10.0925;-3.7884,-1.4539,11.6447;-5.0699,-1.4706,10.397;-3.3635,-2.7597,9.9515;-3.7632,-3.6661,10.4518;-2.2704,-2.7627,10.1075;-3.618,-2.9065,8.4514;-4.707,-2.9655,8.2633;-3.1432,-3.8361,8.0911;-1.8164,-1.778,7.3968;-.0614,-.5019,6.1344;.6262,-1.1621,6.6951;.35,.5274,6.2231;-.0012,-.8945,4.6463;1.0366,-.7641,4.2719;-.6312,-.1911,4.0679;-.4516,-2.3304,4.3772;-1.525,-2.4179,4.624;.0633,-3.0026,5.0855;-.2118,-2.821,2.9463;-.5049,-3.8863,2.8801;.8729,-2.7885,2.7228;-.9663,-2.0338,1.8743;-2.0511,-2.0233,2.0867;-.6294,-.9832,1.8304;-.8211,-2.4746,.8709;-1.0949,-2.7189,7.7577;-1.4163,-.5802,6.7776;-2.2141,.065,6.3954;-3.1689,-1.812,7.6968;.0584,1.4076,11.4837;-.6578,2.1393,11.0711;1.0802,1.7233,11.1956;-.0099,1.4529,12.5869;-.2548,.0075,10.9595;.427,-.7276,11.4308;-1.2808,-.2701,11.2596;-.1481,-.1296,9.4377;-.2785,-1.1931,9.167;.8646,.1546,9.0931;-1.1822,.7333,8.7004;-2.2794,.9876,9.1948;-.7451,1.4329,7.9452;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605213004729</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001789870872 0.000394643167 0.029326321185 0.008697393266</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015161884 -0.000931186 -0.000308925 0.000293266 0.000342886 0.000516689 0.001160329 0.001799601 0.002028802 0.002717222 0.003143439 0.003956642 0.004198671 0.004573306 0.005562217 0.005677501 0.006808775 0.006990588 0.008152241 0.010380743 0.011898569 0.013001346 0.017135236 0.018805300 0.021326944 0.024690742 0.027255140 0.030138067 0.032390591 0.032922098 0.034234215 0.036429906 0.039366515 0.040797174 0.042811336 0.044510460 0.046565082 0.047677099 0.051582702 0.052172513 0.053709790 0.057377601 0.059307195 0.059951685 0.067271618 0.067905481 0.070936331 0.072486239 0.076906590 0.077502379 0.079299442 0.079696644 0.080858781 0.082757489 0.087655856 0.091837937 0.097570257 0.098893963 0.100377681 0.104835695 0.106935437 0.109412311 0.113298684 0.115673845 0.122371531 0.129869153 0.135313751 0.137818554 0.139410279 0.146665242 0.150596579 0.160928316 0.168740868 0.171747160 0.175843821 0.180690267 0.188260491 0.195201456 0.198038114 0.207517542 0.215913120 0.223002315 0.233936757 0.252681546 0.263660178 0.291615306 0.311194562 0.341713650 0.407402764 0.416734091 0.430619397 0.475487235 0.533319043 0.544684264 0.586801482 0.611953534 0.661983136 0.682062421 0.737054171 0.750472916 0.755693686 0.767528233 0.769951557 0.778087703 0.785106575 0.797701721 0.805047219 0.806343157 0.814486854 0.820550226 0.821970972 0.846455199 0.849024272 0.855139904 0.864223157 0.892683922 0.900917034 0.905068993 0.909157681 0.919251232 0.924114355 0.934013323 0.970514226 0.978664282 1.451486855 1.541164846</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="-3.98338631" y3="-1.50054355" z3="10.55379434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53260593" y3="-0.60308107" z3="10.09501227">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80967294" y3="-1.45483527" z3="11.64475161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07695004" y3="-1.47016617" z3="10.38544079">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.3703669" y3="-2.76362878" z3="9.95750456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.77455795" y3="-3.66692606" z3="10.45652001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27969823" y3="-2.76811155" z3="10.12074831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61557702" y3="-2.91512659" z3="8.45683608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70346877" y3="-2.97698071" z3="8.26356336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13718394" y3="-3.84515404" z3="8.10211861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.81113264" y3="-1.78817944" z3="7.40436528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05572693" y3="-0.51638639" z3="6.13775272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.62894782" y3="-1.18077714" z3="6.69767277">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35853633" y3="0.51192872" z3="6.23141599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00551889" y3="-0.90226636" z3="4.64769885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04450696" y3="-0.77333096" z3="4.27522901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62227368" y3="-0.19404623" z3="4.07135261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.4505619" y3="-2.33554125" z3="4.37140975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52367355" y3="-2.42107241" z3="4.62211844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06635647" y3="-3.01411266" z3="5.07321857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21866334" y3="-2.81695721" z3="2.93623266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52141791" y3="-3.87859618" z3="2.8622518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86577401" y3="-2.79215129" z3="2.70999045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.96866979" y3="-2.01477449" z3="1.87270233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.05248298" y3="-1.99398019" z3="2.08930974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62071937" y3="-0.96795153" z3="1.8349372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8316022" y3="-2.44991106" z3="0.86585011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08906613" y3="-2.72539373" z3="7.77472998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41264202" y3="-0.5961101" z3="6.77567865">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.21061582" y3="0.04824636" z3="6.39195021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16536177" y3="-1.82264741" z3="7.70128581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.06055221" y3="1.42087547" z3="11.4808114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.65261697" y3="2.14923073" z3="11.06015832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.08093179" y3="1.7353275" z3="11.19438323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.01174398" y3="1.47084716" z3="12.58361756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.2513158" y3="0.01752847" z3="10.95960272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42765145" y3="-0.71198347" z3="11.43899888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.27737634" y3="-0.25879088" z3="11.25706348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14439797" y3="-0.1247661" z3="9.43936175">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.27140665" y3="-1.18959931" z3="9.16887562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86770558" y3="0.16346278" z3="9.09378421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18077379" y3="0.7336981" z3="8.70165186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27890176" y3="0.98447977" z3="9.19201708">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74823202" y3="1.42764186" z3="7.93860385">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9834,-1.5005,10.5538;-3.5326,-.6031,10.095;-3.8097,-1.4548,11.6448;-5.077,-1.4702,10.3854;-3.3704,-2.7636,9.9575;-3.7746,-3.6669,10.4565;-2.2797,-2.7681,10.1207;-3.6156,-2.9151,8.4568;-4.7035,-2.977,8.2636;-3.1372,-3.8452,8.1021;-1.8111,-1.7882,7.4044;-.0557,-.5164,6.1378;.6289,-1.1808,6.6977;.3585,.5119,6.2314;.0055,-.9023,4.6477;1.0445,-.7733,4.2752;-.6223,-.194,4.0714;-.4506,-2.3355,4.3714;-1.5237,-2.4211,4.6221;.0664,-3.0141,5.0732;-.2187,-2.817,2.9362;-.5214,-3.8786,2.8623;.8658,-2.7922,2.71;-.9687,-2.0148,1.8727;-2.0525,-1.994,2.0893;-.6207,-.968,1.8349;-.8316,-2.4499,.8659;-1.0891,-2.7254,7.7747;-1.4126,-.5961,6.7757;-2.2106,.0482,6.392;-3.1654,-1.8226,7.7013;.0606,1.4209,11.4808;-.6526,2.1492,11.0602;1.0809,1.7353,11.1944;-.0117,1.4708,12.5836;-.2513,.0175,10.9596;.4277,-.712,11.439;-1.2774,-.2588,11.2571;-.1444,-.1248,9.4394;-.2714,-1.1896,9.1689;.8677,.1635,9.0938;-1.1808,.7337,8.7017;-2.2789,.9845,9.192;-.7482,1.4276,7.9386;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605210006679</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002120218425 0.000407020698 0.024008825508 0.008696832399</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015162236 -0.000382346 -0.000074206 0.000304969 0.000343214 0.000536664 0.001168949 0.001818666 0.002044220 0.002716370 0.003147308 0.004067005 0.004248243 0.004570537 0.005555194 0.005716870 0.006807640 0.007010931 0.008171307 0.010382099 0.011903292 0.013014541 0.017141020 0.018806098 0.021327134 0.024691375 0.027255027 0.030137852 0.032391744 0.032922665 0.034236635 0.036436229 0.039366112 0.040811353 0.042813824 0.044517006 0.046567557 0.047681745 0.051586367 0.052173056 0.053724921 0.057380638 0.059320477 0.060078598 0.067272576 0.067912069 0.070937789 0.072500270 0.076908950 0.077506054 0.079303092 0.079708704 0.080859531 0.082757531 0.087684584 0.091839796 0.097613776 0.098902594 0.100378429 0.104849926 0.106936542 0.109414435 0.113299126 0.115673859 0.122444499 0.129877077 0.135316120 0.137824057 0.139419450 0.146677488 0.150629146 0.160932167 0.168741826 0.171756221 0.175874977 0.180929460 0.188348108 0.195223904 0.198101273 0.207526880 0.215942427 0.223004338 0.234050287 0.252827775 0.263674879 0.291701879 0.311197239 0.341713993 0.407424361 0.416736905 0.430628455 0.475488041 0.533343997 0.544685597 0.586802054 0.611954180 0.661983411 0.682292602 0.737055370 0.750473547 0.755696013 0.767531442 0.769959500 0.778090762 0.785107460 0.797795683 0.805098649 0.806891606 0.814487027 0.820554223 0.822007836 0.846476436 0.849024503 0.855583480 0.864226572 0.892688561 0.900917061 0.905075345 0.909281605 0.919256174 0.924153859 0.934025005 0.970515876 0.978681800 1.451613103 1.541178111</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="-3.98954079" y3="-1.49063513" z3="10.54708753">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54084989" y3="-0.59329421" z3="10.08410764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8219166" y3="-1.43572486" z3="11.63933251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08326749" y3="-1.46838495" z3="10.37192374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36575052" y3="-2.75507426" z3="9.96392909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76530286" y3="-3.65792755" z3="10.46999762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27460302" y3="-2.74985829" z3="10.1313746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60379452" y3="-2.92017346" z3="8.46291074">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.69065093" y3="-2.99061348" z3="8.2648523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11754764" y3="-3.84997583" z3="8.11784537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80145521" y3="-1.79330236" z3="7.40543201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04852612" y3="-0.52351537" z3="6.13503107">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63451603" y3="-1.19048227" z3="6.6928789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36768569" y3="0.5032149" z3="6.23125976">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01156864" y3="-0.90641516" z3="4.64463438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05087439" y3="-0.78411902" z3="4.27188968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61089918" y3="-0.19306864" z3="4.07056466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45431857" y3="-2.33532038" z3="4.36692607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52711706" y3="-2.41278446" z3="4.6195304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05758667" y3="-3.01801985" z3="5.06763016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22839184" y3="-2.81686581" z3="2.93064951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53688325" y3="-3.87709579" z3="2.85676916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85540658" y3="-2.79784767" z3="2.70124691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.97746925" y3="-2.00945076" z3="1.87029508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06031381" y3="-1.98288373" z3="2.09090057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62422416" y3="-0.9642137" z3="1.83230279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.84635758" y3="-2.44428434" z3="0.86224887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07721845" y3="-2.72751535" z3="7.78036548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40583818" y3="-0.60388807" z3="6.77145668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.2040628" y3="0.0399107" z3="6.38790755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15635411" y3="-1.83025132" z3="7.70140377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.04272576" y3="1.41565406" z3="11.4882631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.6753599" y3="2.14242912" z3="11.06976092">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06346269" y3="1.74129448" z3="11.2096436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.0357528" y3="1.45853759" z3="12.59138225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25395964" y3="0.01319552" z3="10.96143444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.43073669" y3="-0.71535883" z3="11.43756572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.27975144" y3="-0.27451017" z3="11.25276584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13735757" y3="-0.11976279" z3="9.44143724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25771779" y3="-1.18302509" z3="9.16370988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87416994" y3="0.17495859" z3="9.10348338">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17278564" y3="0.73845343" z3="8.70279658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27035838" y3="0.99263138" z3="9.19262031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74139788" y3="1.4247505" z3="7.93282501">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9895,-1.4906,10.5471;-3.5408,-.5933,10.0841;-3.8219,-1.4357,11.6393;-5.0833,-1.4684,10.3719;-3.3658,-2.7551,9.9639;-3.7653,-3.6579,10.47;-2.2746,-2.7499,10.1314;-3.6038,-2.9202,8.4629;-4.6907,-2.9906,8.2649;-3.1175,-3.85,8.1178;-1.8015,-1.7933,7.4054;-.0485,-.5235,6.135;.6345,-1.1905,6.6929;.3677,.5032,6.2313;.0116,-.9064,4.6446;1.0509,-.7841,4.2719;-.6109,-.1931,4.0706;-.4543,-2.3353,4.3669;-1.5271,-2.4128,4.6195;.0576,-3.018,5.0676;-.2284,-2.8169,2.9306;-.5369,-3.8771,2.8568;.8554,-2.7978,2.7012;-.9775,-2.0095,1.8703;-2.0603,-1.9829,2.0909;-.6242,-.9642,1.8323;-.8464,-2.4443,.8622;-1.0772,-2.7275,7.7804;-1.4058,-.6039,6.7715;-2.2041,.0399,6.3879;-3.1564,-1.8303,7.7014;.0427,1.4157,11.4883;-.6754,2.1424,11.0698;1.0635,1.7413,11.2096;-.0358,1.4585,12.5914;-.254,.0132,10.9614;.4307,-.7154,11.4376;-1.2798,-.2745,11.2528;-.1374,-.1198,9.4414;-.2577,-1.183,9.1637;.8742,.175,9.1035;-1.1728,.7385,8.7028;-2.2704,.9926,9.1926;-.7414,1.4248,7.9328;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605213661128</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002211122691 0.000384821318 0.028556784945 0.008700528607</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015270728 -0.000425162 0.000112246 0.000308146 0.000358549 0.000551014 0.001164087 0.001814705 0.002030020 0.002723949 0.003147989 0.004086598 0.004290280 0.004569693 0.005546140 0.005732661 0.006810418 0.007017008 0.008170004 0.010386955 0.011902405 0.013011699 0.017136820 0.018806546 0.021327521 0.024692077 0.027254858 0.030142054 0.032396550 0.032922874 0.034236784 0.036437331 0.039377000 0.040812817 0.042826054 0.044514046 0.046567531 0.047682422 0.051589190 0.052173255 0.053726928 0.057383922 0.059318918 0.060129514 0.067273855 0.067924260 0.070938246 0.072505550 0.076910676 0.077506117 0.079302334 0.079716925 0.080859808 0.082756432 0.087679780 0.091871029 0.097627327 0.098904513 0.100379022 0.104860086 0.106940822 0.109416741 0.113299681 0.115673686 0.122528879 0.129881523 0.135318264 0.137824194 0.139422512 0.146679141 0.150635768 0.160935388 0.168740102 0.171759572 0.175911819 0.181042777 0.188399026 0.195222357 0.198094957 0.207539958 0.215945960 0.223032596 0.234203278 0.252937542 0.263686638 0.291772256 0.311199707 0.341714909 0.407449024 0.416737577 0.430627566 0.475493112 0.533350892 0.544685967 0.586804267 0.611954221 0.661983447 0.682292044 0.737058209 0.750480850 0.755695642 0.767536199 0.769972851 0.778093520 0.785111695 0.797805295 0.805123981 0.807277465 0.814499258 0.820687314 0.822050145 0.846478468 0.849026715 0.855607724 0.864243141 0.892688378 0.900917727 0.905085148 0.909299483 0.919258173 0.924184382 0.934025723 0.970521236 0.978687968 1.451630876 1.541190478</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="-3.98389804" y3="-1.48352383" z3="10.5428413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5384106" y3="-0.58633456" z3="10.07740375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81607956" y3="-1.42547094" z3="11.63436206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07731232" y3="-1.46539988" z3="10.36854269">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35589104" y3="-2.74666015" z3="9.96240757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75291313" y3="-3.64902313" z3="10.46961984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26531425" y3="-2.73808144" z3="10.12990072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.5932637" y3="-2.9152494" z3="8.46229579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67976045" y3="-2.98762626" z3="8.26456576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10546835" y3="-3.84425163" z3="8.11847029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79332801" y3="-1.787611" z3="7.40362563">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04337029" y3="-0.51675592" z3="6.13046321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64344755" y3="-1.18039173" z3="6.68892129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37152223" y3="0.51172082" z3="6.22035178">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01026601" y3="-0.90586108" z3="4.64102251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04877652" y3="-0.78612884" z3="4.26465937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61369305" y3="-0.19372931" z3="4.06565286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45876578" y3="-2.33564545" z3="4.36917854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53183293" y3="-2.41105162" z3="4.6229468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05332353" y3="-3.01694751" z3="5.07170561">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23563733" y3="-2.82151521" z3="2.9342388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.54367989" y3="-3.88193043" z3="2.86431281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84776986" y3="-2.80222389" z3="2.70261528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98744999" y3="-2.01819633" z3="1.87274334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07021265" y3="-1.99373036" z3="2.09395279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.63662284" y3="-0.97243639" z3="1.83195039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85608875" y3="-2.45488321" z3="0.86586732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.068368" y3="-2.72179047" z3="7.7762161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39807998" y3="-0.59573346" z3="6.77299188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19761555" y3="0.04639743" z3="6.38927851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14747621" y3="-1.82613442" z3="7.69923488">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.02412977" y3="1.402692" z3="11.50404207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.6911284" y3="2.12778629" z3="11.08165789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.04568608" y3="1.73222843" z3="11.23663495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06430959" y3="1.43841776" z3="12.60591882">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.2641892" y3="0.00283897" z3="10.96014468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41648266" y3="-0.72644872" z3="11.43861687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29080805" y3="-0.28874317" z3="11.23983988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13151878" y3="-0.11770173" z3="9.43948114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24195481" y3="-1.18115351" z3="9.15366972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88307092" y3="0.18492095" z3="9.11414533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16504062" y3="0.73889395" z3="8.69490444">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26423259" y3="0.99392327" z3="9.18099451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72912217" y3="1.4279324" z3="7.92998308">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9839,-1.4835,10.5428;-3.5384,-.5863,10.0774;-3.8161,-1.4255,11.6344;-5.0773,-1.4654,10.3685;-3.3559,-2.7467,9.9624;-3.7529,-3.649,10.4696;-2.2653,-2.7381,10.1299;-3.5933,-2.9152,8.4623;-4.6798,-2.9876,8.2646;-3.1055,-3.8443,8.1185;-1.7933,-1.7876,7.4036;-.0434,-.5168,6.1305;.6434,-1.1804,6.6889;.3715,.5117,6.2204;.0103,-.9059,4.641;1.0488,-.7861,4.2647;-.6137,-.1937,4.0657;-.4588,-2.3356,4.3692;-1.5318,-2.4111,4.6229;.0533,-3.0169,5.0717;-.2356,-2.8215,2.9342;-.5437,-3.8819,2.8643;.8478,-2.8022,2.7026;-.9874,-2.0182,1.8727;-2.0702,-1.9937,2.094;-.6366,-.9724,1.832;-.8561,-2.4549,.8659;-1.0684,-2.7218,7.7762;-1.3981,-.5957,6.773;-2.1976,.0464,6.3893;-3.1475,-1.8261,7.6992;.0241,1.4027,11.504;-.6911,2.1278,11.0817;1.0457,1.7322,11.2366;-.0643,1.4384,12.6059;-.2642,.0028,10.9601;.4165,-.7264,11.4386;-1.2908,-.2887,11.2398;-.1315,-.1177,9.4395;-.242,-1.1812,9.1537;.8831,.1849,9.1141;-1.165,.7389,8.6949;-2.2642,.9939,9.181;-.7291,1.4279,7.93;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605218136437</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001709725977 0.000285931860 0.028580763977 0.008699890297</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015221811 -0.000236988 0.000110376 0.000313198 0.000357320 0.000516304 0.001166193 0.001820667 0.002024541 0.002740919 0.003148361 0.004084642 0.004366072 0.004587376 0.005545798 0.005836631 0.006821322 0.007019850 0.008169945 0.010387756 0.011902525 0.013011885 0.017133134 0.018805868 0.021329864 0.024692157 0.027254779 0.030146955 0.032405393 0.032922982 0.034236844 0.036440547 0.039393939 0.040814247 0.042841348 0.044513819 0.046567528 0.047686168 0.051591517 0.052173144 0.053727205 0.057389621 0.059319007 0.060156029 0.067274402 0.067928939 0.070938670 0.072518087 0.076907708 0.077506480 0.079302161 0.079726775 0.080860429 0.082757570 0.087679354 0.091900884 0.097667428 0.098908055 0.100379153 0.104886537 0.106946479 0.109417380 0.113299452 0.115673602 0.122646865 0.129885138 0.135320143 0.137824943 0.139422130 0.146679317 0.150659868 0.160936325 0.168740799 0.171763581 0.175944017 0.181142782 0.188409154 0.195224583 0.198099441 0.207535967 0.215943955 0.223032735 0.234242071 0.252962287 0.263672342 0.291813749 0.311200203 0.341718825 0.407467265 0.416741567 0.430628844 0.475503969 0.533433873 0.544698696 0.586806877 0.611958727 0.661983385 0.682313901 0.737061310 0.750484091 0.755695748 0.767554427 0.769982088 0.778094688 0.785112218 0.797806696 0.805133319 0.807677288 0.814504024 0.820766633 0.822071721 0.846478988 0.849028412 0.855679622 0.864242532 0.892688311 0.900917803 0.905088236 0.909307090 0.919261295 0.924211723 0.934025932 0.970577764 0.978700693 1.451697707 1.541205854</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="-3.97183945" y3="-1.47421342" z3="10.54247715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52791819" y3="-0.57737252" z3="10.0750148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80109956" y3="-1.41492122" z3="11.63349836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06547886" y3="-1.45666716" z3="10.3710697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34518978" y3="-2.73757975" z3="9.96142985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73959398" y3="-3.64004797" z3="10.4712381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25396739" y3="-2.72769415" z3="10.12551365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.58721054" y3="-2.90775829" z3="8.46201844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67424587" y3="-2.98086852" z3="8.26713047">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.09961493" y3="-3.83668614" z3="8.11747571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79035469" y3="-1.77984536" z3="7.39835022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04241595" y3="-0.50744209" z3="6.12430633">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64644279" y3="-1.16902214" z3="6.68140922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37177606" y3="0.52068952" z3="6.21054635">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0075486" y3="-0.90111271" z3="4.63617674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04478855" y3="-0.77996765" z3="4.25638097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61970645" y3="-0.19237603" z3="4.0604168">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45806805" y3="-2.33345427" z3="4.37115087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5305647" y3="-2.41128442" z3="4.62717392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05739715" y3="-3.01044486" z3="5.07552841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2366294" y3="-2.82611387" z3="2.93814607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.54176364" y3="-3.88793684" z3="2.8750817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84611117" y3="-2.80506628" z3="2.70392584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99318367" y3="-2.03115184" z3="1.87382513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07530507" y3="-2.00900209" z3="2.09800428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64535709" y3="-0.98456316" z3="1.82619428">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86327283" y3="-2.47316217" z3="0.8687902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06518778" y3="-2.71582977" z3="7.76502913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39484916" y3="-0.58483232" z3="6.77247875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19498143" y3="0.05808704" z3="6.39099188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14373985" y3="-1.81843003" z3="7.69703465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.00485895" y3="1.38620262" z3="11.51131436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.71651637" y3="2.11407585" z3="11.09969998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.02500176" y3="1.72552546" z3="11.24557717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.08271093" y3="1.409837" z3="12.61403979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27418811" y3="-0.00973911" z3="10.95990414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40778902" y3="-0.7395031" z3="11.43654937">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30240364" y3="-0.30741322" z3="11.23200729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13252378" y3="-0.1223594" z3="9.44097187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24189021" y3="-1.18303542" z3="9.15009244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88352412" y3="0.18107315" z3="9.12430586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15899567" y3="0.73959475" z3="8.69187513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25825184" y3="1.00197501" z3="9.17642817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71458111" y3="1.42922421" z3="7.93179935">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9718,-1.4742,10.5425;-3.5279,-.5774,10.075;-3.8011,-1.4149,11.6335;-5.0655,-1.4567,10.3711;-3.3452,-2.7376,9.9614;-3.7396,-3.64,10.4712;-2.254,-2.7277,10.1255;-3.5872,-2.9078,8.462;-4.6742,-2.9809,8.2671;-3.0996,-3.8367,8.1175;-1.7904,-1.7798,7.3984;-.0424,-.5074,6.1243;.6464,-1.169,6.6814;.3718,.5207,6.2105;.0075,-.9011,4.6362;1.0448,-.78,4.2564;-.6197,-.1924,4.0604;-.4581,-2.3335,4.3712;-1.5306,-2.4113,4.6272;.0574,-3.0104,5.0755;-.2366,-2.8261,2.9381;-.5418,-3.8879,2.8751;.8461,-2.8051,2.7039;-.9932,-2.0312,1.8738;-2.0753,-2.009,2.098;-.6454,-.9846,1.8262;-.8633,-2.4732,.8688;-1.0652,-2.7158,7.765;-1.3948,-.5848,6.7725;-2.195,.0581,6.391;-3.1437,-1.8184,7.697;.0049,1.3862,11.5113;-.7165,2.1141,11.0997;1.025,1.7255,11.2456;-.0827,1.4098,12.614;-.2742,-.0097,10.9599;.4078,-.7395,11.4365;-1.3024,-.3074,11.232;-.1325,-.1224,9.441;-.2419,-1.183,9.1501;.8835,.1811,9.1243;-1.159,.7396,8.6919;-2.2583,1.002,9.1764;-.7146,1.4292,7.9318;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605216891856</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002112135275 0.000396679010 0.025147850814 0.008707723700</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.015230377 -0.000406492 0.000099645 0.000314464 0.000355248 0.000534674 0.001166272 0.001845804 0.002024565 0.002764465 0.003149268 0.004087278 0.004405656 0.004642229 0.005559414 0.006125731 0.006842143 0.007020640 0.008171169 0.010388144 0.011903893 0.013015296 0.017131587 0.018805361 0.021335426 0.024692230 0.027254668 0.030153209 0.032435340 0.032923885 0.034237101 0.036445048 0.039414476 0.040814413 0.042872117 0.044518109 0.046567640 0.047690729 0.051591974 0.052172915 0.053727255 0.057393327 0.059320365 0.060158337 0.067274820 0.067926234 0.070939998 0.072527121 0.076919299 0.077507109 0.079302653 0.079731178 0.080859878 0.082756992 0.087689199 0.091982535 0.097705022 0.098908420 0.100379072 0.104979992 0.106957099 0.109417475 0.113299345 0.115673818 0.122822213 0.129885421 0.135321622 0.137825289 0.139423873 0.146678930 0.150668041 0.160934485 0.168742825 0.171769739 0.175997536 0.181264788 0.188408929 0.195231219 0.198097277 0.207537623 0.215939526 0.223093203 0.234301509 0.252961548 0.263664395 0.291815880 0.311200221 0.341727211 0.407483227 0.416775137 0.430629436 0.475509208 0.533579316 0.544714509 0.586818836 0.611962549 0.661984224 0.682328182 0.737066281 0.750484189 0.755697378 0.767554947 0.769982580 0.778094952 0.785114007 0.797809022 0.805136402 0.808079826 0.814519169 0.821116650 0.822122725 0.846480338 0.849034098 0.855679815 0.864240998 0.892688337 0.900918683 0.905088458 0.909335138 0.919260963 0.924212125 0.934025977 0.970625472 0.978702098 1.451763671 1.541208853</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="-3.96553555" y3="-1.46564786" z3="10.54242938">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5288077" y3="-0.56733305" z3="10.06880627">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.78647121" y3="-1.40274713" z3="11.63230975">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06149308" y3="-1.45544337" z3="10.3790778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.33562523" y3="-2.72728486" z3="9.96047927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.72351781" y3="-3.63131318" z3="10.47307924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24319929" y3="-2.7122974" z3="10.11954546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.58357612" y3="-2.89970499" z3="8.46234353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67123926" y3="-2.97154545" z3="8.27143619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.09828739" y3="-3.82922508" z3="8.11673821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78918541" y3="-1.77371386" z3="7.39427433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0413282" y3="-0.49908869" z3="6.12239997">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65128546" y3="-1.15669306" z3="6.68091851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37043892" y3="0.53106714" z3="6.20282353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00511517" y3="-0.89852592" z3="4.63545843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0410217" y3="-0.77633841" z3="4.25297843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62488318" y3="-0.19306318" z3="4.05884037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45718874" y3="-2.33245295" z3="4.37507379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52896897" y3="-2.41224262" z3="4.63204351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06037419" y3="-3.00610039" z3="5.08039286">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23556082" y3="-2.82815397" z3="2.94329617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53273223" y3="-3.89254984" z3="2.88427646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84665143" y3="-2.79973456" z3="2.70688205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.00083909" y3="-2.04237492" z3="1.87808282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08294668" y3="-2.02855142" z3="2.10349203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66214516" y3="-0.99279639" z3="1.82683413">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86879132" y3="-2.48630336" z3="0.87443348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06448594" y3="-2.7122156" z3="7.75446461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39170215" y3="-0.57422096" z3="6.77577048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19180308" y3="0.06815837" z3="6.39364206">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14116956" y3="-1.81169098" z3="7.69448148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.01006597" y3="1.37091944" z3="11.52270779">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.72586538" y3="2.09578617" z3="11.10254504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.01243561" y3="1.70965677" z3="11.26995254">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.10785878" y3="1.39055506" z3="12.62396551">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28411302" y3="-0.02267413" z3="10.95420792">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39415985" y3="-0.75610761" z3="11.4315735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.31208434" y3="-0.32247067" z3="11.21723695">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12757564" y3="-0.12380197" z3="9.43360962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.22551932" y3="-1.18555645" z3="9.1370743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89147896" y3="0.18827336" z3="9.12786545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15507985" y3="0.73534125" z3="8.68067476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25561365" y3="0.99702609" z3="9.16395648">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.70606393" y3="1.43256795" z3="7.92989839">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9655,-1.4656,10.5424;-3.5288,-.5673,10.0688;-3.7865,-1.4027,11.6323;-5.0615,-1.4554,10.3791;-3.3356,-2.7273,9.9605;-3.7235,-3.6313,10.4731;-2.2432,-2.7123,10.1195;-3.5836,-2.8997,8.4623;-4.6712,-2.9715,8.2714;-3.0983,-3.8292,8.1167;-1.7892,-1.7737,7.3943;-.0413,-.4991,6.1224;.6513,-1.1567,6.6809;.3704,.5311,6.2028;.0051,-.8985,4.6355;1.041,-.7763,4.253;-.6249,-.1931,4.0588;-.4572,-2.3325,4.3751;-1.529,-2.4122,4.632;.0604,-3.0061,5.0804;-.2356,-2.8282,2.9433;-.5327,-3.8925,2.8843;.8467,-2.7997,2.7069;-1.0008,-2.0424,1.8781;-2.0829,-2.0286,2.1035;-.6621,-.9928,1.8268;-.8688,-2.4863,.8744;-1.0645,-2.7122,7.7545;-1.3917,-.5742,6.7758;-2.1918,.0682,6.3936;-3.1412,-1.8117,7.6945;-.0101,1.3709,11.5227;-.7259,2.0958,11.1025;1.0124,1.7097,11.27;-.1079,1.3906,12.624;-.2841,-.0227,10.9542;.3942,-.7561,11.4316;-1.3121,-.3225,11.2172;-.1276,-.1238,9.4336;-.2255,-1.1856,9.1371;.8915,.1883,9.1279;-1.1551,.7353,8.6807;-2.2556,.997,9.164;-.7061,1.4326,7.9299;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605208453949</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002513194645 0.000503433404 0.032258957240 0.008692226541</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014419255 -0.001089224 0.000078254 0.000240437 0.000341060 0.000500681 0.001159884 0.001883962 0.002052988 0.002814174 0.003222807 0.004063685 0.004398270 0.004675892 0.005561264 0.006483917 0.006866806 0.007018878 0.008166839 0.010386594 0.011914360 0.013019260 0.017134869 0.018805203 0.021347744 0.024689034 0.027265934 0.030147800 0.032500115 0.032923190 0.034238045 0.036449348 0.039441685 0.040816027 0.042909650 0.044538082 0.046567998 0.047695549 0.051593938 0.052175415 0.053738297 0.057386741 0.059321437 0.060144993 0.067271908 0.067959175 0.070827173 0.072522514 0.076932694 0.077504666 0.079287242 0.079733515 0.080848179 0.082750883 0.087703297 0.092147413 0.097707652 0.098910777 0.100382365 0.105155123 0.106996507 0.109418162 0.113294038 0.115673979 0.123192644 0.129884151 0.135321481 0.137822572 0.139468173 0.146665629 0.150703736 0.160934364 0.168746257 0.171772428 0.176087968 0.181369405 0.188422988 0.195240674 0.198094386 0.207608583 0.215841532 0.223174190 0.234414385 0.253051528 0.263588305 0.291808799 0.311200370 0.341754234 0.407505216 0.416871765 0.430637552 0.475513245 0.533869694 0.544730856 0.586845077 0.611966948 0.661985356 0.682463340 0.737067204 0.750483762 0.755703342 0.767569012 0.769983414 0.778100017 0.785117078 0.797865495 0.805138776 0.808423293 0.814559747 0.821621486 0.822300444 0.846487716 0.849036416 0.855652852 0.864275976 0.892689632 0.900926063 0.905094268 0.909370545 0.919260514 0.924210616 0.934027969 0.970676382 0.978704391 1.451882229 1.541217351</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="-3.95290318" y3="-1.45832582" z3="10.54558927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51619701" y3="-0.56167165" z3="10.07236355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77507865" y3="-1.39461468" z3="11.63473979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.04717796" y3="-1.44653859" z3="10.38236418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.32375132" y3="-2.72020084" z3="9.96407892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.71043102" y3="-3.62259534" z3="10.47826719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23211492" y3="-2.70531108" z3="10.12146217">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57394487" y3="-2.89589403" z3="8.4670437">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.66180924" y3="-2.9685827" z3="8.27808935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.08861536" y3="-3.82600259" z3="8.12249879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78246244" y3="-1.77090033" z3="7.39392974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0380165" y3="-0.49727891" z3="6.11625261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65544716" y3="-1.15408305" z3="6.67378894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37452501" y3="0.53229108" z3="6.19358295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00426656" y3="-0.9002604" z3="4.63008068">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04048885" y3="-0.7831177" z3="4.24598">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62366087" y3="-0.19364308" z3="4.05194065">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.46469591" y3="-2.33351458" z3="4.37356778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53758606" y3="-2.40789217" z3="4.62997523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04949271" y3="-3.00752795" z3="5.08201034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24478989" y3="-2.83412403" z3="2.94299658">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.55269702" y3="-3.8953561" z3="2.88520372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83824367" y3="-2.81709056" z3="2.70843128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99937668" y3="-2.04239092" z3="1.87477512">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.0818242" y3="-2.01575645" z3="2.09861796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.6485391" y3="-0.99713186" z3="1.82176781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.87050679" y3="-2.49002679" z3="0.87231777">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.05681618" y3="-2.70889084" z3="7.75243581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38635974" y3="-0.57057659" z3="6.77488696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18807704" y3="0.06967621" z3="6.3922701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13364676" y3="-1.80898104" z3="7.69660021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.03444814" y3="1.35873027" z3="11.52850245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.75812433" y3="2.0850528" z3="11.11784765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.98596399" y3="1.71167153" z3="11.28059241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.13585194" y3="1.36734837" z3="12.62984265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.29318629" y3="-0.03122237" z3="10.95350868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.38636698" y3="-0.76193205" z3="11.43144901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.322728" y3="-0.33942008" z3="11.20579963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1262719" y3="-0.12310385" z3="9.43507251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.22111979" y3="-1.18135756" z3="9.13232922">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89296716" y3="0.19300293" z3="9.13906008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14875746" y3="0.73786722" z3="8.67594644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24901471" y3="1.00618535" z3="9.15920949">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.69554262" y3="1.43287813" z3="7.92530348">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9529,-1.4583,10.5456;-3.5162,-.5617,10.0724;-3.7751,-1.3946,11.6347;-5.0472,-1.4465,10.3824;-3.3238,-2.7202,9.9641;-3.7104,-3.6226,10.4783;-2.2321,-2.7053,10.1215;-3.5739,-2.8959,8.467;-4.6618,-2.9686,8.2781;-3.0886,-3.826,8.1225;-1.7825,-1.7709,7.3939;-.038,-.4973,6.1163;.6554,-1.1541,6.6738;.3745,.5323,6.1936;.0043,-.9003,4.6301;1.0405,-.7831,4.246;-.6237,-.1936,4.0519;-.4647,-2.3335,4.3736;-1.5376,-2.4079,4.63;.0495,-3.0075,5.082;-.2448,-2.8341,2.943;-.5527,-3.8954,2.8852;.8382,-2.8171,2.7084;-.9994,-2.0424,1.8748;-2.0818,-2.0158,2.0986;-.6485,-.9971,1.8218;-.8705,-2.49,.8723;-1.0568,-2.7089,7.7524;-1.3864,-.5706,6.7749;-2.1881,.0697,6.3923;-3.1336,-1.809,7.6966;-.0344,1.3587,11.5285;-.7581,2.0851,11.1178;.986,1.7117,11.2806;-.1359,1.3673,12.6298;-.2932,-.0312,10.9535;.3864,-.7619,11.4314;-1.3227,-.3394,11.2058;-.1263,-.1231,9.4351;-.2211,-1.1814,9.1323;.893,.193,9.1391;-1.1488,.7379,8.6759;-2.249,1.0062,9.1592;-.6955,1.4329,7.9253;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605201780041</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002078898443 0.000503198202 0.027609177763 0.008743494883</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014435761 -0.000484465 0.000083463 0.000239313 0.000371506 0.000503301 0.001159790 0.001888459 0.002048118 0.002822077 0.003268630 0.004078510 0.004398335 0.004716712 0.005566207 0.006667444 0.006936830 0.007033639 0.008196451 0.010404211 0.011928443 0.013025792 0.017144437 0.018804355 0.021355797 0.024689220 0.027274130 0.030147052 0.032560995 0.032923294 0.034238862 0.036459604 0.039441363 0.040816451 0.042911045 0.044555540 0.046568177 0.047705384 0.051596259 0.052176469 0.053746781 0.057389101 0.059321256 0.060159323 0.067272448 0.067965190 0.070844299 0.072520640 0.076939106 0.077504841 0.079295900 0.079737412 0.080849761 0.082753663 0.087702480 0.092193477 0.097746463 0.098910442 0.100390377 0.105307608 0.107035023 0.109418770 0.113295261 0.115675714 0.123488075 0.129886984 0.135321497 0.137826434 0.139493513 0.146668255 0.150718699 0.160937160 0.168751677 0.171772016 0.176202519 0.181443937 0.188439866 0.195245779 0.198105682 0.207762491 0.215883007 0.223275302 0.234462427 0.253220404 0.263579902 0.291848758 0.311200628 0.341772603 0.407511726 0.416992324 0.430656254 0.475515103 0.534286070 0.544744227 0.586883897 0.611969730 0.661985397 0.682738396 0.737068000 0.750484116 0.755703807 0.767616949 0.769983537 0.778110014 0.785118402 0.797997397 0.805139289 0.808660225 0.814595505 0.821930583 0.822662696 0.846523578 0.849039649 0.855655760 0.864288484 0.892691884 0.900926025 0.905143671 0.909382005 0.919260940 0.924213462 0.934053193 0.970890761 0.978720674 1.452268652 1.541239297</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="-3.95192741" y3="-1.45123596" z3="10.54491731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52143838" y3="-0.55332376" z3="10.06489691">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77201956" y3="-1.37966834" z3="11.63414965">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.04799829" y3="-1.4494889" z3="10.38270118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.31454673" y3="-2.71286464" z3="9.97031947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.69396843" y3="-3.61639318" z3="10.49044045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.22171161" y3="-2.68874496" z3="10.12666224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.56472035" y3="-2.89709652" z3="8.47399229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.65239561" y3="-2.97448818" z3="8.28492266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.07585094" y3="-3.82685969" z3="8.13362521">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77713191" y3="-1.77191934" z3="7.3939944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03564922" y3="-0.49925396" z3="6.11348977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65871587" y3="-1.15703591" z3="6.66857825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37881863" y3="0.52954297" z3="6.18927253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00111942" y3="-0.90226414" z3="4.62739584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03727539" y3="-0.79128887" z3="4.24145666">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62328717" y3="-0.19176998" z3="4.05082188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.47729649" y3="-2.33211522" z3="4.37146234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55172401" y3="-2.39731579" z3="4.62245639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02709013" y3="-3.0086451" z3="5.08390344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.254647" y3="-2.83764756" z3="2.94300427">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.57379885" y3="-3.89592654" z3="2.88556772">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.82973521" y3="-2.83319231" z3="2.71452879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99465238" y3="-2.03955667" z3="1.86873809">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07733487" y3="-1.99714566" z3="2.08865986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62925411" y3="-0.99886577" z3="1.81256979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86879312" y3="-2.49302742" z3="0.86813483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.04981971" y3="-2.70985885" z3="7.74951823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38195555" y3="-0.57042636" z3="6.77647655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18453294" y3="0.06969521" z3="6.39489041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12759368" y3="-1.81158767" z3="7.69896943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.05276272" y3="1.35292838" z3="11.5397209">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.77445061" y3="2.07397525" z3="11.12224137">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.96766763" y3="1.71122718" z3="11.3040932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.16346112" y3="1.35454635" z3="12.64028644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.29870559" y3="-0.03671976" z3="10.9498596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.38272304" y3="-0.76648524" z3="11.42818675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.3264351" y3="-0.3536209" z3="11.19438197">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11813804" y3="-0.11908429" z3="9.43180734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.19759054" y3="-1.17900434" z3="9.12342123">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.90179971" y3="0.20886688" z3="9.14535621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14373989" y3="0.73641612" z3="8.6702307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24510507" y3="1.00326659" z3="9.15022272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.68886981" y3="1.43284415" z3="7.92204759">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9519,-1.4512,10.5449;-3.5214,-.5533,10.0649;-3.772,-1.3797,11.6341;-5.048,-1.4495,10.3827;-3.3145,-2.7129,9.9703;-3.694,-3.6164,10.4904;-2.2217,-2.6887,10.1267;-3.5647,-2.8971,8.474;-4.6524,-2.9745,8.2849;-3.0759,-3.8269,8.1336;-1.7771,-1.7719,7.394;-.0356,-.4993,6.1135;.6587,-1.157,6.6686;.3788,.5295,6.1893;.0011,-.9023,4.6274;1.0373,-.7913,4.2415;-.6233,-.1918,4.0508;-.4773,-2.3321,4.3715;-1.5517,-2.3973,4.6225;.0271,-3.0086,5.0839;-.2546,-2.8376,2.943;-.5738,-3.8959,2.8856;.8297,-2.8332,2.7145;-.9947,-2.0396,1.8687;-2.0773,-1.9971,2.0887;-.6293,-.9989,1.8126;-.8688,-2.493,.8681;-1.0498,-2.7099,7.7495;-1.382,-.5704,6.7765;-2.1845,.0697,6.3949;-3.1276,-1.8116,7.699;-.0528,1.3529,11.5397;-.7745,2.074,11.1222;.9677,1.7112,11.3041;-.1635,1.3545,12.6403;-.2987,-.0367,10.9499;.3827,-.7665,11.4282;-1.3264,-.3536,11.1944;-.1181,-.1191,9.4318;-.1976,-1.179,9.1234;.9018,.2089,9.1454;-1.1437,.7364,8.6702;-2.2451,1.0033,9.1502;-.6889,1.4328,7.922;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605196304518</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.003025089307 0.000429989249 0.029801943202 0.008712056177</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014477976 -0.000354827 0.000076271 0.000235857 0.000365263 0.000502221 0.001168835 0.001898459 0.002045948 0.002826212 0.003352866 0.004091667 0.004408622 0.004719089 0.005568546 0.006691300 0.006943982 0.007044483 0.008235454 0.010435206 0.011934256 0.013024733 0.017156799 0.018804045 0.021357739 0.024690018 0.027278959 0.030148511 0.032579475 0.032923649 0.034240171 0.036467392 0.039473790 0.040816826 0.042909812 0.044561038 0.046568336 0.047709486 0.051596584 0.052176694 0.053748548 0.057393737 0.059320900 0.060200361 0.067272832 0.067986680 0.070867452 0.072520497 0.076951154 0.077506596 0.079304613 0.079741946 0.080851195 0.082762867 0.087700580 0.092245978 0.097793775 0.098912320 0.100397435 0.105391692 0.107057294 0.109419140 0.113296497 0.115677697 0.123714177 0.129889819 0.135322943 0.137834206 0.139502294 0.146670452 0.150723100 0.160939917 0.168751679 0.171771906 0.176262131 0.181477929 0.188437838 0.195256151 0.198102930 0.207922332 0.215888392 0.223320275 0.234591107 0.253277574 0.263604590 0.291940738 0.311200610 0.341772374 0.407526262 0.417087085 0.430657213 0.475515067 0.534376910 0.544743920 0.586883000 0.611969867 0.661992011 0.682794762 0.737068116 0.750487639 0.755705559 0.767633044 0.769988638 0.778109875 0.785126779 0.798033334 0.805139467 0.808742191 0.814639905 0.821986128 0.823495413 0.846542810 0.849043110 0.855668787 0.864292430 0.892692690 0.900926205 0.905162032 0.909380125 0.919267820 0.924240039 0.934055961 0.970888473 0.978725566 1.452492243 1.541247693</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="-3.95884866" y3="-1.45890469" z3="10.54366017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52279622" y3="-0.56150451" z3="10.06896963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.78221834" y3="-1.39292762" z3="11.63346002">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.05390543" y3="-1.45027874" z3="10.37835102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.32635048" y3="-2.72107717" z3="9.96556333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.71191006" y3="-3.62412253" z3="10.48107509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.23423456" y3="-2.70327562" z3="10.12459022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57391821" y3="-2.89899369" z3="8.46814827">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.66141195" y3="-2.97377933" z3="8.277244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.08635968" y3="-3.82857802" z3="8.12546434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78251181" y3="-1.77324398" z3="7.3948557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03831071" y3="-0.49979384" z3="6.11745617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65498992" y3="-1.15766574" z3="6.67405812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37489334" y3="0.52952365" z3="6.19589273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00339965" y3="-0.90072209" z3="4.63085381">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0394156" y3="-0.7836355" z3="4.24653016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62422174" y3="-0.19295343" z3="4.05427009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.46652891" y3="-2.33294893" z3="4.37264724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53952966" y3="-2.40609621" z3="4.62744698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.04541954" y3="-3.00797943" z3="5.08117606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2452976" y3="-2.83299572" z3="2.94211704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.55415684" y3="-3.8940188" z3="2.88340347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83786305" y3="-2.81706904" z3="2.70905545">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99780877" y3="-2.04002174" z3="1.87321744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08006347" y3="-2.01132687" z3="2.09646153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64505888" y3="-0.99523594" z3="1.8200628">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86953546" y3="-2.48813165" z3="0.87073109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0564184" y3="-2.7110215" z3="7.75361983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3866892" y3="-0.57336579" z3="6.7755348">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18829381" y3="0.0676047" z3="6.39371651">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13387695" y3="-1.81202658" z3="7.69737125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.03079889" y3="1.36262111" z3="11.5297564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.75140697" y3="2.08667426" z3="11.11387419">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.9900907" y3="1.71266425" z3="11.28381802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.13365917" y3="1.3726966" z3="12.63090854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.29039451" y3="-0.02865045" z3="10.95312357">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.38987345" y3="-0.75964199" z3="11.43084621">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.31867861" y3="-0.33716895" z3="11.2070996">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12349985" y3="-0.12120701" z3="9.43429706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21447672" y3="-1.18119159" z3="9.1321149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89537176" y3="0.1973112" z3="9.13734424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14914309" y3="0.73707029" z3="8.67700394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24972489" y3="1.00235996" z3="9.15925599">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.6976403" y3="1.432416" z3="7.92592578">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9588,-1.4589,10.5437;-3.5228,-.5615,10.069;-3.7822,-1.3929,11.6335;-5.0539,-1.4503,10.3784;-3.3264,-2.7211,9.9656;-3.7119,-3.6241,10.4811;-2.2342,-2.7033,10.1246;-3.5739,-2.899,8.4681;-4.6614,-2.9738,8.2772;-3.0864,-3.8286,8.1255;-1.7825,-1.7732,7.3949;-.0383,-.4998,6.1175;.655,-1.1577,6.6741;.3749,.5295,6.1959;.0034,-.9007,4.6309;1.0394,-.7836,4.2465;-.6242,-.193,4.0543;-.4665,-2.3329,4.3726;-1.5395,-2.4061,4.6274;.0454,-3.008,5.0812;-.2453,-2.833,2.9421;-.5542,-3.894,2.8834;.8379,-2.8171,2.7091;-.9978,-2.04,1.8732;-2.0801,-2.0113,2.0965;-.6451,-.9952,1.8201;-.8695,-2.4881,.8707;-1.0564,-2.711,7.7536;-1.3867,-.5734,6.7755;-2.1883,.0676,6.3937;-3.1339,-1.812,7.6974;-.0308,1.3626,11.5298;-.7514,2.0867,11.1139;.9901,1.7127,11.2838;-.1337,1.3727,12.6309;-.2904,-.0287,10.9531;.3899,-.7596,11.4308;-1.3187,-.3372,11.2071;-.1235,-.1212,9.4343;-.2145,-1.1812,9.1321;.8954,.1973,9.1373;-1.1491,.7371,8.677;-2.2497,1.0024,9.1593;-.6976,1.4324,7.9259;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605214278732</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000965070451 0.000120366024 0.032938922456 0.008718242829</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014622033 -0.001082361 0.000091692 0.000201065 0.000302875 0.000495904 0.001171870 0.001897301 0.002031557 0.002828196 0.003443459 0.004096311 0.004390140 0.004613790 0.005569385 0.006593968 0.006842511 0.007049677 0.008232208 0.010430942 0.011926286 0.013009939 0.017175101 0.018804584 0.021360637 0.024691138 0.027288363 0.030147186 0.032623609 0.032923471 0.034244456 0.036477002 0.039499277 0.040818149 0.042910810 0.044577085 0.046567814 0.047709990 0.051595604 0.052176964 0.053756108 0.057396745 0.059321346 0.060280025 0.067273367 0.068015110 0.070895839 0.072524712 0.076969451 0.077506353 0.079305206 0.079761641 0.080840497 0.082793861 0.087702715 0.092416354 0.097857383 0.098914254 0.100402330 0.105579051 0.107112089 0.109417454 0.113298749 0.115678737 0.124265625 0.129896080 0.135324403 0.137858630 0.139562099 0.146674974 0.150739867 0.160943498 0.168753781 0.171773905 0.176360804 0.181566285 0.188421382 0.195270175 0.198079195 0.208149910 0.215906827 0.223413907 0.234810336 0.253343404 0.263682282 0.292042001 0.311200531 0.341777317 0.407558502 0.417226135 0.430654132 0.475514606 0.534538855 0.544743578 0.586874071 0.611971615 0.662000004 0.682883338 0.737068422 0.750490916 0.755707383 0.767651148 0.769992627 0.778109608 0.785131981 0.798068707 0.805139946 0.808850178 0.814687023 0.822003486 0.824918517 0.846573091 0.849050764 0.855683948 0.864290275 0.892698291 0.900926781 0.905185518 0.909385814 0.919275255 0.924278442 0.934059297 0.970863417 0.978733879 1.452779358 1.541258429</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="-3.97681887" y3="-1.4595441" z3="10.53772006">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5361428" y3="-0.56378765" z3="10.06587069">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81515726" y3="-1.38870765" z3="11.62928606">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06916531" y3="-1.45330488" z3="10.35779366">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.3339842" y3="-2.72273042" z3="9.97302398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.72144061" y3="-3.62356299" z3="10.48973101">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24392278" y3="-2.70029427" z3="10.1425767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.5674474" y3="-2.91114943" z3="8.47459917">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.65292342" y3="-2.99560428" z3="8.27543394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.06981361" y3="-3.83901257" z3="8.14129864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77724269" y3="-1.78174861" z3="7.40270144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03843613" y3="-0.50691829" z3="6.1188802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65527982" y3="-1.166826" z3="6.67324837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37517355" y3="0.5225045" z3="6.2000222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00115359" y3="-0.90328607" z3="4.63088332">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03754922" y3="-0.79102742" z3="4.2464684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62256192" y3="-0.19041744" z3="4.05642085">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.47753149" y3="-2.33180654" z3="4.36858122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.55239656" y3="-2.39721446" z3="4.61756971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.02559637" y3="-3.01111272" z3="5.07940744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.25136513" y3="-2.83088958" z3="2.93858089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56830618" y3="-3.88914645" z3="2.87521502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83349467" y3="-2.8228832" z3="2.71267402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99042485" y3="-2.02892112" z3="1.86707701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07422747" y3="-1.99227475" z3="2.08242836">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62938115" y3="-0.98701105" z3="1.82004771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85818025" y3="-2.4747615" z3="0.86454091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.04804257" y3="-2.7147621" z3="7.76867046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38660067" y3="-0.58389523" z3="6.77664051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19029342" y3="0.0533843" z3="6.39398739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12950476" y3="-1.82516408" z3="7.70157624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.02171601" y3="1.36834432" z3="11.52776448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.74476454" y3="2.09187875" z3="11.1123646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="0.99881693" y3="1.72071284" z3="11.28249718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.12651381" y3="1.38005939" z3="12.6286994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27891854" y3="-0.02305918" z3="10.95396631">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40294798" y3="-0.75242868" z3="11.4311494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30704117" y3="-0.33382292" z3="11.2083457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11559185" y3="-0.11469509" z3="9.43391844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.20598255" y3="-1.17359831" z3="9.13164769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.9005983" y3="0.20749985" z3="9.13414327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14676298" y3="0.73891754" z3="8.67927801">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.24633729" y3="1.0005021" z3="9.16612774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.70403195" y3="1.43095277" z3="7.91951507">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9768,-1.4595,10.5377;-3.5361,-.5638,10.0659;-3.8152,-1.3887,11.6293;-5.0692,-1.4533,10.3578;-3.334,-2.7227,9.973;-3.7214,-3.6236,10.4897;-2.2439,-2.7003,10.1426;-3.5674,-2.9111,8.4746;-4.6529,-2.9956,8.2754;-3.0698,-3.839,8.1413;-1.7772,-1.7817,7.4027;-.0384,-.5069,6.1189;.6553,-1.1668,6.6732;.3752,.5225,6.2;.0012,-.9033,4.6309;1.0375,-.791,4.2465;-.6226,-.1904,4.0564;-.4775,-2.3318,4.3686;-1.5524,-2.3972,4.6176;.0256,-3.0111,5.0794;-.2514,-2.8309,2.9386;-.5683,-3.8891,2.8752;.8335,-2.8229,2.7127;-.9904,-2.0289,1.8671;-2.0742,-1.9923,2.0824;-.6294,-.987,1.82;-.8582,-2.4748,.8645;-1.048,-2.7148,7.7687;-1.3866,-.5839,6.7766;-2.1903,.0534,6.394;-3.1295,-1.8252,7.7016;-.0217,1.3683,11.5278;-.7448,2.0919,11.1124;.9988,1.7207,11.2825;-.1265,1.3801,12.6287;-.2789,-.0231,10.954;.4029,-.7524,11.4311;-1.307,-.3338,11.2083;-.1156,-.1147,9.4339;-.206,-1.1736,9.1316;.9006,.2075,9.1341;-1.1468,.7389,8.6793;-2.2463,1.0005,9.1661;-.704,1.431,7.9195;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605206892367</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002256482465 0.000387738876 0.025659065180 0.008709208665</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014633667 -0.000032994 0.000151450 0.000240016 0.000374877 0.000503095 0.001183384 0.001896536 0.002031166 0.002829204 0.003452846 0.004097804 0.004410533 0.004622262 0.005576101 0.006594241 0.006842777 0.007053501 0.008247327 0.010430889 0.011927292 0.013010825 0.017182577 0.018805154 0.021360842 0.024691746 0.027288257 0.030150268 0.032632851 0.032924031 0.034245524 0.036481896 0.039576050 0.040818312 0.042921486 0.044578664 0.046567909 0.047710411 0.051596271 0.052177512 0.053757750 0.057399179 0.059327127 0.060314521 0.067273274 0.068031885 0.070907445 0.072528922 0.076974505 0.077509767 0.079316778 0.079761689 0.080848146 0.082792757 0.087704164 0.092415517 0.097875700 0.098916412 0.100407537 0.105593540 0.107127155 0.109417813 0.113299450 0.115678523 0.124332023 0.129897370 0.135326202 0.137875442 0.139572238 0.146678401 0.150740255 0.160947881 0.168756768 0.171777722 0.176417751 0.181571647 0.188432883 0.195271750 0.198080936 0.208217183 0.215932847 0.223440047 0.234846827 0.253342136 0.263688464 0.292064686 0.311200764 0.341777183 0.407560155 0.417262466 0.430670382 0.475514722 0.534583451 0.544744746 0.586883699 0.611976484 0.662012870 0.682947525 0.737073154 0.750492510 0.755707542 0.767825382 0.769993007 0.778109476 0.785145213 0.798132719 0.805146513 0.808863234 0.814707524 0.822008028 0.825481539 0.846601902 0.849062115 0.855686827 0.864305613 0.892700608 0.900927066 0.905226076 0.909390663 0.919280770 0.924312050 0.934082906 0.970867326 0.978849750 1.453033176 1.541328921</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="-3.97587797" y3="-1.47042548" z3="10.54039709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53306756" y3="-0.57420774" z3="10.06944363">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80932278" y3="-1.40497901" z3="11.63190027">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06937655" y3="-1.45829143" z3="10.36483854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34241449" y3="-2.73425092" z3="9.96839562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73452519" y3="-3.63547185" z3="10.48245243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25144916" y3="-2.71875584" z3="10.13515229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57924712" y3="-2.91317339" z3="8.46934417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.66528522" y3="-2.99149278" z3="8.27170544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.08685907" y3="-3.84134799" z3="8.13061058">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.7840318" y3="-1.78504478" z3="7.40340329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03906666" y3="-0.51422903" z3="6.12494487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64945165" y3="-1.1782084" z3="6.67970429">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37747114" y3="0.51302874" z3="6.21202451">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00663654" y3="-0.90557435" z3="4.63604133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0443512" y3="-0.79165569" z3="4.2557891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61562538" y3="-0.1911798" z3="4.06183166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.47021942" y3="-2.33373479" z3="4.36838595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5444244" y3="-2.40237703" z3="4.6200391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.03644204" y3="-3.01550235" z3="5.07450496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24712707" y3="-2.82687566" z3="2.93588405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.56428586" y3="-3.88525367" z3="2.86958867">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83728764" y3="-2.81801377" z3="2.70743525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98881233" y3="-2.02122687" z3="1.86854048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07215034" y3="-1.98570886" z3="2.08691812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.62777053" y3="-0.97850123" z3="1.8234323">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.859168" y3="-2.46415495" z3="0.86393119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.05708139" y3="-2.71848032" z3="7.77282742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39029646" y3="-0.59046942" z3="6.7755119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19183704" y3="0.04917676" z3="6.3915114">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13742493" y3="-1.82605485" z3="7.70042848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.00601685" y3="1.38584388" z3="11.51717442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.72516287" y3="2.1103992" z3="11.09903743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.01481095" y3="1.7303596" z3="11.26266331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.10292826" y3="1.40571846" z3="12.61880019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27445928" y3="-0.01011719" z3="10.95582473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40899966" y3="-0.73779136" z3="11.43363292">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30107485" y3="-0.31423501" z3="11.22199465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12374303" y3="-0.11560537" z3="9.43696304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21922214" y3="-1.17795837" z3="9.14184782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89152423" y3="0.20035953" z3="9.12661746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15597533" y3="0.73841288" z3="8.68581474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25577926" y3="0.99792048" z3="9.17008225">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71422827" y3="1.42851735" z3="7.92500151">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9759,-1.4704,10.5404;-3.5331,-.5742,10.0694;-3.8093,-1.405,11.6319;-5.0694,-1.4583,10.3648;-3.3424,-2.7343,9.9684;-3.7345,-3.6355,10.4825;-2.2514,-2.7188,10.1352;-3.5792,-2.9132,8.4693;-4.6653,-2.9915,8.2717;-3.0869,-3.8413,8.1306;-1.784,-1.785,7.4034;-.0391,-.5142,6.1249;.6495,-1.1782,6.6797;.3775,.513,6.212;.0066,-.9056,4.636;1.0444,-.7917,4.2558;-.6156,-.1912,4.0618;-.4702,-2.3337,4.3684;-1.5444,-2.4024,4.62;.0364,-3.0155,5.0745;-.2471,-2.8269,2.9359;-.5643,-3.8853,2.8696;.8373,-2.818,2.7074;-.9888,-2.0212,1.8685;-2.0722,-1.9857,2.0869;-.6278,-.9785,1.8234;-.8592,-2.4642,.8639;-1.0571,-2.7185,7.7728;-1.3903,-.5905,6.7755;-2.1918,.0492,6.3915;-3.1374,-1.8261,7.7004;-.006,1.3858,11.5172;-.7252,2.1104,11.099;1.0148,1.7304,11.2627;-.1029,1.4057,12.6188;-.2745,-.0101,10.9558;.409,-.7378,11.4336;-1.3011,-.3142,11.222;-.1237,-.1156,9.437;-.2192,-1.178,9.1418;.8915,.2004,9.1266;-1.156,.7384,8.6858;-2.2558,.9979,9.1701;-.7142,1.4285,7.925;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605216217391</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001065703456 0.000225893987 0.025921820084 0.008695683870</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.014640945 -0.000104069 0.000149112 0.000312703 0.000413562 0.000507830 0.001181548 0.001897081 0.002032208 0.002830045 0.003461245 0.004098552 0.004386724 0.004583449 0.005577972 0.006558397 0.006826161 0.007059849 0.008237623 0.010432105 0.011929108 0.013010211 0.017182818 0.018811735 0.021361421 0.024693298 0.027288620 0.030155624 0.032637301 0.032926535 0.034249320 0.036493331 0.039677145 0.040818559 0.042939347 0.044579511 0.046568226 0.047720717 0.051603830 0.052178634 0.053761085 0.057401551 0.059336969 0.060346194 0.067273622 0.068071665 0.070925771 0.072535840 0.076974559 0.077521978 0.079330415 0.079773131 0.080873669 0.082811644 0.087712950 0.092429662 0.097900196 0.098918507 0.100412599 0.105601484 0.107149831 0.109418094 0.113301800 0.115677831 0.124389493 0.129899272 0.135326388 0.137883078 0.139573614 0.146685464 0.150743377 0.160952859 0.168770091 0.171777500 0.176431339 0.181570631 0.188437503 0.195297104 0.198088562 0.208253164 0.215934679 0.223447071 0.234907897 0.253349291 0.263708470 0.292080661 0.311201116 0.341790901 0.407561849 0.417276005 0.430690014 0.475517576 0.534586509 0.544750042 0.586888713 0.611977265 0.662018346 0.682949469 0.737093538 0.750492443 0.755708313 0.767929038 0.769993641 0.778110839 0.785156491 0.798177243 0.805147614 0.808863912 0.814716571 0.822010537 0.825802514 0.846607633 0.849063712 0.855715092 0.864321247 0.892711404 0.900926932 0.905251599 0.909395250 0.919295237 0.924363174 0.934086654 0.970873890 0.978882693 1.453096993 1.541342420</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="-3.97544997" y3="-1.47803202" z3="10.54344045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53012848" y3="-0.581673" z3="10.07621834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8042756" y3="-1.41940662" z3="11.63448582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06932518" y3="-1.45894055" z3="10.37225195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35022592" y3="-2.74243294" z3="9.96220479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7468401" y3="-3.64446023" z3="10.47060376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25918847" y3="-2.73482944" z3="10.12730476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59155954" y3="-2.9116953" z3="8.4625746">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67857545" y3="-2.98280213" z3="8.2670534">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10554009" y3="-3.841601" z3="8.11808904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79230619" y3="-1.78474058" z3="7.40262693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04202173" y3="-0.51361649" z3="6.1297828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64600754" y3="-1.1762758" z3="6.68806021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37296854" y3="0.51500173" z3="6.21703496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00909053" y3="-0.90505204" z3="4.6408548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04691002" y3="-0.78444459" z3="4.26260385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61634101" y3="-0.19410138" z3="4.06583548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45834026" y3="-2.33565723" z3="4.37105237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.53084002" y3="-2.41245562" z3="4.62641317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05596452" y3="-3.01589313" z3="5.0727962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23673361" y3="-2.82294483" z3="2.93626701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.54386989" y3="-3.88361004" z3="2.86799421">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84627786" y3="-2.80316673" z3="2.70325789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.9904869" y3="-2.02151881" z3="1.87510262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07284876" y3="-1.99783696" z3="2.09777491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64056928" y3="-0.97579179" z3="1.83330117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85995316" y3="-2.45878765" z3="0.86842555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06769276" y3="-2.71999182" z3="7.77225015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39555426" y3="-0.58979633" z3="6.77616766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19511705" y3="0.05102195" z3="6.39044391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14598868" y3="-1.82305588" z3="7.69782574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.0118387" y3="1.39497645" z3="11.50581766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.70781423" y3="2.11971281" z3="11.08813116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.03253222" y3="1.73012194" z3="11.23973661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.07700644" y3="1.42523701" z3="12.6078331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27004694" y3="-0.00320086" z3="10.9577676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41160844" y3="-0.73272508" z3="11.43567124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29732283" y3="-0.29878834" z3="11.23300219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.1304874" y3="-0.11969305" z3="9.43694927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.23893695" y3="-1.18165005" z3="9.15021476">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88511464" y3="0.18456249" z3="9.11766908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1620111" y3="0.73631501" z3="8.68766569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26151863" y3="0.99439075" z3="9.17450328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72175795" y3="1.42871548" z3="7.92731272">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9754,-1.478,10.5434;-3.5301,-.5817,10.0762;-3.8043,-1.4194,11.6345;-5.0693,-1.4589,10.3723;-3.3502,-2.7424,9.9622;-3.7468,-3.6445,10.4706;-2.2592,-2.7348,10.1273;-3.5916,-2.9117,8.4626;-4.6786,-2.9828,8.2671;-3.1055,-3.8416,8.1181;-1.7923,-1.7847,7.4026;-.042,-.5136,6.1298;.646,-1.1763,6.6881;.373,.515,6.217;.0091,-.9051,4.6409;1.0469,-.7844,4.2626;-.6163,-.1941,4.0658;-.4583,-2.3357,4.3711;-1.5308,-2.4125,4.6264;.056,-3.0159,5.0728;-.2367,-2.8229,2.9363;-.5439,-3.8836,2.868;.8463,-2.8032,2.7033;-.9905,-2.0215,1.8751;-2.0728,-1.9978,2.0978;-.6406,-.9758,1.8333;-.86,-2.4588,.8684;-1.0677,-2.72,7.7723;-1.3956,-.5898,6.7762;-2.1951,.051,6.3904;-3.146,-1.8231,7.6978;.0118,1.395,11.5058;-.7078,2.1197,11.0881;1.0325,1.7301,11.2397;-.077,1.4252,12.6078;-.27,-.0032,10.9578;.4116,-.7327,11.4357;-1.2973,-.2988,11.233;-.1305,-.1197,9.4369;-.2389,-1.1817,9.1502;.8851,.1846,9.1177;-1.162,.7363,8.6877;-2.2615,.9944,9.1745;-.7218,1.4287,7.9273;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605220755572</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001074003049 0.000212627652 0.029506391876 0.008736971916</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013642041 -0.000299095 0.000099943 0.000268376 0.000286355 0.000476445 0.001186195 0.001876518 0.002042794 0.002863161 0.003460584 0.004094944 0.004385951 0.004561631 0.005578294 0.006601505 0.006796225 0.007035773 0.008254569 0.010421802 0.011934929 0.013004615 0.017178797 0.018806431 0.021374047 0.024693012 0.027300989 0.030163528 0.032610710 0.032927856 0.034254008 0.036486959 0.039921952 0.040819355 0.042937083 0.044591636 0.046568025 0.047699267 0.051591251 0.052178058 0.053770195 0.057384602 0.059342972 0.060362600 0.067273492 0.068029278 0.070925945 0.072565744 0.076970660 0.077512226 0.079341693 0.079749458 0.080877722 0.082811246 0.087678082 0.092427560 0.097935348 0.098935990 0.100416980 0.105582076 0.107154603 0.109417880 0.113301391 0.115676772 0.124412961 0.129899574 0.135324765 0.137883676 0.139584644 0.146680056 0.150757402 0.160947951 0.168772342 0.171777736 0.176440549 0.181543472 0.188457355 0.195306877 0.198068972 0.208274079 0.215915119 0.223387965 0.234921595 0.253318524 0.263771042 0.292113343 0.311201630 0.341817898 0.407574257 0.417280397 0.430695108 0.475523450 0.534623424 0.544767702 0.586925060 0.611982892 0.662025327 0.682971625 0.737106572 0.750493535 0.755712308 0.767955039 0.769997852 0.778109627 0.785163498 0.798189411 0.805148878 0.808875886 0.814722123 0.822011466 0.825918337 0.846622761 0.849069384 0.855710973 0.864319320 0.892714413 0.900929735 0.905264345 0.909398059 0.919297524 0.924369664 0.934101836 0.970955155 0.978906256 1.453103435 1.541366410</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="-3.98319211" y3="-1.48655475" z3="10.5460016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53888198" y3="-0.58920129" z3="10.0786156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81043541" y3="-1.42861577" z3="11.63703149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07769521" y3="-1.46781634" z3="10.37608602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35855076" y3="-2.75044161" z3="9.96305743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75550423" y3="-3.65352189" z3="10.47076513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26703734" y3="-2.74330405" z3="10.12828727">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59955094" y3="-2.91711166" z3="8.4630041">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68669251" y3="-2.98656068" z3="8.26695946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11484327" y3="-3.84731518" z3="8.11758555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79807346" y3="-1.79097499" z3="7.40406285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04416322" y3="-0.52197457" z3="6.13564402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63788106" y3="-1.18987719" z3="6.69288973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37421189" y3="0.50348206" z3="6.23069239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01367911" y3="-0.90657451" z3="4.64561375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05354111" y3="-0.78767341" z3="4.27307454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.60683914" y3="-0.19203088" z3="4.0702844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45571711" y3="-2.33499189" z3="4.36852978">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52895363" y3="-2.41088917" z3="4.62105788">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0552937" y3="-3.01860913" z3="5.06958164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23158122" y3="-2.81713128" z3="2.93220005">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53848818" y3="-3.8780922" z3="2.85987883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85184033" y3="-2.79627604" z3="2.7007859">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98419716" y3="-2.01231698" z3="1.87182052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06679598" y3="-1.98867345" z3="2.09389389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.63365566" y3="-0.96580435" z3="1.83166333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85369583" y3="-2.44793661" z3="0.86386037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07427489" y3="-2.72628238" z3="7.77512807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.4004851" y3="-0.5985304" z3="6.77537242">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19908267" y3="0.0433318" z3="6.38853151">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15239993" y3="-1.82806579" z3="7.69983715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03154024" y3="1.40947745" z3="11.4937284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.68535364" y3="2.13732092" z3="11.07648379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.05227673" y3="1.73779467" z3="11.21794946">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.04750005" y3="1.44813011" z3="12.59611977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26225368" y3="0.00885912" z3="10.95865613">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41987735" y3="-0.71905664" z3="11.43704052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28834697" y3="-0.27912034" z3="11.24480339">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13826479" y3="-0.12096979" z3="9.43981117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25217507" y3="-1.18562587" z3="9.16131146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8750413" y3="0.17775044" z3="9.10704849">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17221045" y3="0.7350126" z3="8.69477905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27133306" y3="0.99073563" z3="9.18131979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73531996" y3="1.4254136" z3="7.93152473">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9832,-1.4866,10.546;-3.5389,-.5892,10.0786;-3.8104,-1.4286,11.637;-5.0777,-1.4678,10.3761;-3.3586,-2.7504,9.9631;-3.7555,-3.6535,10.4708;-2.267,-2.7433,10.1283;-3.5996,-2.9171,8.463;-4.6867,-2.9866,8.267;-3.1148,-3.8473,8.1176;-1.7981,-1.791,7.4041;-.0442,-.522,6.1356;.6379,-1.1899,6.6929;.3742,.5035,6.2307;.0137,-.9066,4.6456;1.0535,-.7877,4.2731;-.6068,-.192,4.0703;-.4557,-2.335,4.3685;-1.529,-2.4109,4.6211;.0553,-3.0186,5.0696;-.2316,-2.8171,2.9322;-.5385,-3.8781,2.8599;.8518,-2.7963,2.7008;-.9842,-2.0123,1.8718;-2.0668,-1.9887,2.0939;-.6337,-.9658,1.8317;-.8537,-2.4479,.8639;-1.0743,-2.7263,7.7751;-1.4005,-.5985,6.7754;-2.1991,.0433,6.3885;-3.1524,-1.8281,7.6998;.0315,1.4095,11.4937;-.6854,2.1373,11.0765;1.0523,1.7378,11.2179;-.0475,1.4481,12.5961;-.2623,.0089,10.9587;.4199,-.7191,11.437;-1.2883,-.2791,11.2448;-.1383,-.121,9.4398;-.2522,-1.1856,9.1613;.875,.1778,9.107;-1.1722,.735,8.6948;-2.2713,.9907,9.1813;-.7353,1.4254,7.9315;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605216538564</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000990738763 0.000278683444 0.023792559893 0.008714809009</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013072432 -0.000305104 0.000116235 0.000121593 0.000344867 0.000494572 0.001210214 0.001833937 0.001955406 0.002847305 0.003419916 0.004093847 0.004404675 0.004561198 0.005581270 0.006438634 0.006822092 0.007035873 0.008224153 0.010428390 0.011922705 0.013006642 0.017138154 0.018823040 0.021383304 0.024691307 0.027297209 0.030173127 0.032600276 0.032933549 0.034253733 0.036482835 0.040033210 0.040820279 0.042972951 0.044558265 0.046567333 0.047663861 0.051584956 0.052178720 0.053744677 0.057396651 0.059336372 0.060369846 0.067276291 0.068024667 0.070912511 0.072563063 0.076962043 0.077509162 0.079370024 0.079735816 0.080890533 0.082800080 0.087654316 0.092417406 0.097941546 0.098938749 0.100418318 0.105598010 0.107155921 0.109418709 0.113301099 0.115677453 0.124456274 0.129903839 0.135320229 0.137886375 0.139586809 0.146680323 0.150774080 0.160944474 0.168775771 0.171784160 0.176414188 0.181622861 0.188391296 0.195326689 0.198036084 0.208342831 0.215906623 0.223427582 0.234924296 0.253349683 0.263901722 0.292228403 0.311198580 0.341843766 0.407588259 0.417279696 0.430696974 0.475518372 0.534742679 0.544790345 0.586888633 0.611977600 0.662027694 0.682983382 0.737158314 0.750493265 0.755709233 0.767990244 0.770008425 0.778109294 0.785146943 0.798215901 0.805150582 0.808957067 0.814722135 0.822014274 0.825840887 0.846623728 0.849069858 0.855775758 0.864317853 0.892715420 0.900932978 0.905322837 0.909412578 0.919306710 0.924390086 0.934098716 0.970851598 0.978914955 1.453107415 1.541368776</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="-3.97108753" y3="-1.49371518" z3="10.55322417">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52242047" y3="-0.5973618" z3="10.08993142">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79143698" y3="-1.44545539" z3="11.64330681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06566124" y3="-1.46333384" z3="10.39076908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36195531" y3="-2.75871715" z3="9.95672715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76602885" y3="-3.66081355" z3="10.45838904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27064856" y3="-2.76466176" z3="10.11695411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61160337" y3="-2.91213485" z3="8.45659461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70014094" y3="-2.97200496" z3="8.26582881">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13590942" y3="-3.84373891" z3="8.10196568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80749417" y3="-1.78804527" z3="7.40111683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04920594" y3="-0.51737047" z3="6.13835439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63484546" y3="-1.18195497" z3="6.69969759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36622052" y3="0.51096122" z3="6.23039919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01172667" y3="-0.9048351" z3="4.64874735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05166485" y3="-0.78004532" z3="4.27735539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61225173" y3="-0.19406774" z3="4.07177374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44950445" y3="-2.33607717" z3="4.37181646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52256627" y3="-2.41801875" z3="4.6238113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06521833" y3="-3.01709664" z3="5.07263034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22183606" y3="-2.81636676" z3="2.93554536">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52224643" y3="-3.87859671" z3="2.86248794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86162612" y3="-2.78899226" z3="2.70452009">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.97853302" y3="-2.01555601" z3="1.87597813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06151588" y3="-1.99856417" z3="2.09719478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.63443966" y3="-0.96781379" z3="1.8378524">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.84397104" y3="-2.44883148" z3="0.86816149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08646216" y3="-2.72706268" z3="7.76815794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40637446" y3="-0.59314314" z3="6.77709487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20310419" y3="0.0501766" z3="6.38959891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16090917" y3="-1.82128111" z3="7.6980817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.04320083" y3="1.41625837" z3="11.48381706">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67601861" y3="2.14222875" z3="11.06851766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06237376" y3="1.73656007" z3="11.1941569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.02457337" y3="1.46316378" z3="12.58668905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26269079" y3="0.01305606" z3="10.96039086">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41971289" y3="-0.71713854" z3="11.43696281">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28795865" y3="-0.26717267" z3="11.25720007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14836692" y3="-0.12687246" z3="9.43900907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.27586168" y3="-1.19143754" z3="9.16877822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86664486" y3="0.15786982" z3="9.0996302">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17960298" y3="0.73226222" z3="8.69443603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27866035" y3="0.98801771" z3="9.18275824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74055547" y3="1.42711087" z3="7.93595961">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9711,-1.4937,10.5532;-3.5224,-.5974,10.0899;-3.7914,-1.4455,11.6433;-5.0657,-1.4633,10.3908;-3.362,-2.7587,9.9567;-3.766,-3.6608,10.4584;-2.2706,-2.7647,10.117;-3.6116,-2.9121,8.4566;-4.7001,-2.972,8.2658;-3.1359,-3.8437,8.102;-1.8075,-1.788,7.4011;-.0492,-.5174,6.1384;.6348,-1.182,6.6997;.3662,.511,6.2304;.0117,-.9048,4.6487;1.0517,-.78,4.2774;-.6123,-.1941,4.0718;-.4495,-2.3361,4.3718;-1.5226,-2.418,4.6238;.0652,-3.0171,5.0726;-.2218,-2.8164,2.9355;-.5222,-3.8786,2.8625;.8616,-2.789,2.7045;-.9785,-2.0156,1.876;-2.0615,-1.9986,2.0972;-.6344,-.9678,1.8379;-.844,-2.4488,.8682;-1.0865,-2.7271,7.7682;-1.4064,-.5931,6.7771;-2.2031,.0502,6.3896;-3.1609,-1.8213,7.6981;.0432,1.4163,11.4838;-.676,2.1422,11.0685;1.0624,1.7366,11.1942;-.0246,1.4632,12.5867;-.2627,.0131,10.9604;.4197,-.7171,11.437;-1.288,-.2672,11.2572;-.1484,-.1269,9.439;-.2759,-1.1914,9.1688;.8666,.1579,9.0996;-1.1796,.7323,8.6944;-2.2787,.988,9.1828;-.7406,1.4271,7.936;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605217227475</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000867624283 0.000278274361 0.030350520702 0.008705211116</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013228016 -0.000106179 0.000056354 0.000175111 0.000307726 0.000489361 0.001197609 0.001817688 0.001951075 0.002842660 0.003522867 0.004040664 0.004143806 0.004549390 0.005540248 0.006154139 0.006803485 0.007046207 0.008223785 0.010432180 0.011925279 0.013065524 0.017136676 0.018836094 0.021396640 0.024697590 0.027298502 0.030180025 0.032593557 0.032937661 0.034253608 0.036480909 0.040082507 0.040821363 0.042954063 0.044553619 0.046568126 0.047667201 0.051586705 0.052178271 0.053746760 0.057403959 0.059337543 0.060412876 0.067279284 0.068018301 0.070919895 0.072583119 0.076960582 0.077493154 0.079340051 0.079764336 0.080840005 0.082795614 0.087645529 0.092274840 0.097951179 0.098929960 0.100417910 0.105603499 0.107157126 0.109419191 0.113300516 0.115680815 0.124475612 0.129907235 0.135320566 0.137892991 0.139577549 0.146682120 0.150767992 0.160943282 0.168778036 0.171789934 0.176419289 0.181665129 0.188402793 0.195312169 0.198048641 0.208409159 0.215901896 0.223435031 0.234951298 0.253374908 0.263831193 0.292304381 0.311197502 0.341843257 0.407606355 0.417280126 0.430707062 0.475522545 0.534800534 0.544811971 0.586896067 0.611982091 0.662032663 0.682973417 0.737192948 0.750493669 0.755709055 0.768018808 0.770013035 0.778109374 0.785147858 0.798266555 0.805149811 0.809025305 0.814718878 0.822014407 0.825876111 0.846639416 0.849072488 0.855785470 0.864314606 0.892715964 0.900916852 0.905372035 0.909341523 0.919309530 0.924352887 0.934110459 0.970885773 0.978903411 1.453113731 1.541366340</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="-3.9636907" y3="-1.49697317" z3="10.550789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.51858925" y3="-0.59735898" z3="10.08806898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.77690854" y3="-1.45322484" z3="11.64022097">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06021523" y3="-1.46761483" z3="10.39489999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35637892" y3="-2.75920761" z3="9.94597979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75794321" y3="-3.66506534" z3="10.4450573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26345316" y3="-2.76520494" z3="10.10183928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.6113947" y3="-2.90362896" z3="8.44596566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70063624" y3="-2.96042719" z3="8.25814447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1382725" y3="-3.83380772" z3="8.0845359">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80783828" y3="-1.77688938" z3="7.39303275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0496418" y3="-0.50518505" z3="6.13238193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63466011" y3="-1.16772313" z3="6.69348812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36484707" y3="0.52232078" z3="6.22210831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01081917" y3="-0.8981277" z3="4.64424013">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04953802" y3="-0.77173715" z3="4.27076325">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61647434" y3="-0.19248942" z3="4.06496343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44479104" y3="-2.33292562" z3="4.37539591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5167464" y3="-2.4189655" z3="4.63036076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07474391" y3="-3.00790462" z3="5.0786037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21859146" y3="-2.82088068" z3="2.94129503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50945209" y3="-3.88706151" z3="2.87722794">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86362907" y3="-2.78511089" z3="2.70591683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98756994" y3="-2.03509202" z3="1.87826731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06998887" y3="-2.02891469" z3="2.10264766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65544857" y3="-0.98279386" z3="1.83143356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85189237" y3="-2.47427991" z3="0.87264543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08788811" y3="-2.71863341" z3="7.75533099">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40591496" y3="-0.5814068" z3="6.77261971">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20205665" y3="0.06656445" z3="6.39112768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16102382" y3="-1.80915266" z3="7.69270219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.04462864" y3="1.41057457" z3="11.49114964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67399727" y3="2.14166686" z3="11.0823916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06275372" y3="1.72890835" z3="11.19536875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.01543517" y3="1.45576816" z3="12.59448735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26911888" y3="0.00971107" z3="10.96759026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40689219" y3="-0.72256757" z3="11.44714333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29679846" y3="-0.2642497" z3="11.26244748">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15610054" y3="-0.13268573" z3="9.44824566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.29167458" y3="-1.19682238" z3="9.17804215">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86129368" y3="0.14249872" z3="9.10779478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1776923" y3="0.73725708" z3="8.70296237">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27777331" y3="0.99796696" z3="9.18505372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73077568" y3="1.43026328" z3="7.9476418">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9637,-1.497,10.5508;-3.5186,-.5974,10.0881;-3.7769,-1.4532,11.6402;-5.0602,-1.4676,10.3949;-3.3564,-2.7592,9.946;-3.7579,-3.6651,10.4451;-2.2635,-2.7652,10.1018;-3.6114,-2.9036,8.446;-4.7006,-2.9604,8.2581;-3.1383,-3.8338,8.0845;-1.8078,-1.7769,7.393;-.0496,-.5052,6.1324;.6347,-1.1677,6.6935;.3648,.5223,6.2221;.0108,-.8981,4.6442;1.0495,-.7717,4.2708;-.6165,-.1925,4.065;-.4448,-2.3329,4.3754;-1.5167,-2.419,4.6304;.0747,-3.0079,5.0786;-.2186,-2.8209,2.9413;-.5095,-3.8871,2.8772;.8636,-2.7851,2.7059;-.9876,-2.0351,1.8783;-2.07,-2.0289,2.1026;-.6554,-.9828,1.8314;-.8519,-2.4743,.8726;-1.0879,-2.7186,7.7553;-1.4059,-.5814,6.7726;-2.2021,.0666,6.3911;-3.161,-1.8092,7.6927;.0446,1.4106,11.4911;-.674,2.1417,11.0824;1.0628,1.7289,11.1954;-.0154,1.4558,12.5945;-.2691,.0097,10.9676;.4069,-.7226,11.4471;-1.2968,-.2642,11.2624;-.1561,-.1327,9.4482;-.2917,-1.1968,9.178;.8613,.1425,9.1078;-1.1777,.7373,8.703;-2.2778,.998,9.1851;-.7308,1.4303,7.9476;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605215083252</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001095647020 0.000272476870 0.032517616860 0.008698061435</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013238128 -0.000413076 0.000087670 0.000195220 0.000422441 0.000537951 0.001201769 0.001844414 0.001954529 0.002844336 0.003566437 0.003806156 0.004159913 0.004537817 0.005531136 0.006152023 0.006794950 0.007053687 0.008249477 0.010432188 0.011923714 0.013077293 0.017131491 0.018838863 0.021403869 0.024701189 0.027305108 0.030183207 0.032586848 0.032939929 0.034254345 0.036480172 0.040136847 0.040822574 0.042952829 0.044554441 0.046566646 0.047659603 0.051588690 0.052177750 0.053740499 0.057421159 0.059336316 0.060436378 0.067280750 0.068015947 0.070922085 0.072596705 0.076964913 0.077492767 0.079352992 0.079774233 0.080843991 0.082795236 0.087650144 0.092267084 0.097977792 0.098938214 0.100417875 0.105602374 0.107156266 0.109420553 0.113300749 0.115683515 0.124458361 0.129909891 0.135320006 0.137896008 0.139588409 0.146680324 0.150770967 0.160941208 0.168778522 0.171790536 0.176428983 0.181698391 0.188415116 0.195319836 0.198070371 0.208483841 0.215886240 0.223447765 0.234983298 0.253409677 0.263872791 0.292379245 0.311197678 0.341847464 0.407610529 0.417284692 0.430714961 0.475527170 0.534865792 0.544824309 0.586916124 0.611982999 0.662047291 0.682997111 0.737227284 0.750496118 0.755712684 0.768035023 0.770025141 0.778109385 0.785148591 0.798285845 0.805152075 0.809057837 0.814718416 0.822017957 0.825865753 0.846654641 0.849080315 0.855888609 0.864312237 0.892719024 0.900913291 0.905400022 0.909343277 0.919309874 0.924385958 0.934109430 0.970935271 0.978907501 1.453118579 1.541369824</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="-3.97475909" y3="-1.4966492" z3="10.53796497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52372713" y3="-0.59770525" z3="10.08205447">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80395493" y3="-1.45299305" z3="11.62937696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06792834" y3="-1.46642398" z3="10.36680591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36000144" y3="-2.75827204" z3="9.9406688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76481675" y3="-3.66293032" z3="10.43737675">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26939569" y3="-2.76237974" z3="10.10629268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60177618" y3="-2.90619491" z3="8.43911974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68920787" y3="-2.96873735" z3="8.24319523">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12133576" y3="-3.83450901" z3="8.08301026">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79596688" y3="-1.77703375" z3="7.39150458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03973812" y3="-0.50383396" z3="6.12912141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64832111" y3="-1.1637671" z3="6.69145754">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37190858" y3="0.52655527" z3="6.21617316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01748003" y3="-0.8986148" z3="4.6409212">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0547295" y3="-0.77074244" z3="4.26310703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61373755" y3="-0.19433144" z3="4.06350696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43858808" y3="-2.33434013" z3="4.37667347">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50800363" y3="-2.42096042" z3="4.64219898">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08830744" y3="-3.00842201" z3="5.07551385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22650801" y3="-2.82236956" z3="2.94055894">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51524297" y3="-3.88922024" z3="2.88017899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85312166" y3="-2.78316155" z3="2.69299533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.01006209" y3="-2.03901474" z3="1.88645761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08997732" y3="-2.03673426" z3="2.12363398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.68162485" y3="-0.9861087" z3="1.83669685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.88440999" y3="-2.47694374" z3="0.87917362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07544861" y3="-2.71739545" z3="7.75755831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39615511" y3="-0.58368753" z3="6.76800147">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19208593" y3="0.06586113" z3="6.3895014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15064488" y3="-1.81103324" z3="7.68812841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03992212" y3="1.4119996" z3="11.49812538">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67536167" y3="2.14088619" z3="11.0809696">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06088169" y3="1.73012462" z3="11.21131911">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.02940717" y3="1.45914043" z3="12.6014732">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26892367" y3="0.01029647" z3="10.9755226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40934067" y3="-0.72366163" z3="11.45401061">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.2966331" y3="-0.26753933" z3="11.26775608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14953081" y3="-0.12898093" z3="9.45506156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.28539794" y3="-1.19216727" z3="9.18030721">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86845101" y3="0.14591285" z3="9.11935517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16845107" y3="0.74264063" z3="8.71006152">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26980607" y3="1.00197978" z3="9.188715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72221687" y3="1.43084942" z3="7.95076695">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9748,-1.4966,10.538;-3.5237,-.5977,10.0821;-3.804,-1.453,11.6294;-5.0679,-1.4664,10.3668;-3.36,-2.7583,9.9407;-3.7648,-3.6629,10.4374;-2.2694,-2.7624,10.1063;-3.6018,-2.9062,8.4391;-4.6892,-2.9687,8.2432;-3.1213,-3.8345,8.083;-1.796,-1.777,7.3915;-.0397,-.5038,6.1291;.6483,-1.1638,6.6915;.3719,.5266,6.2162;.0175,-.8986,4.6409;1.0547,-.7707,4.2631;-.6137,-.1943,4.0635;-.4386,-2.3343,4.3767;-1.508,-2.421,4.6422;.0883,-3.0084,5.0755;-.2265,-2.8224,2.9406;-.5152,-3.8892,2.8802;.8531,-2.7832,2.693;-1.0101,-2.039,1.8865;-2.09,-2.0367,2.1236;-.6816,-.9861,1.8367;-.8844,-2.4769,.8792;-1.0754,-2.7174,7.7576;-1.3962,-.5837,6.768;-2.1921,.0659,6.3895;-3.1506,-1.811,7.6881;.0399,1.412,11.4981;-.6754,2.1409,11.081;1.0609,1.7301,11.2113;-.0294,1.4591,12.6015;-.2689,.0103,10.9755;.4093,-.7237,11.454;-1.2966,-.2675,11.2678;-.1495,-.129,9.4551;-.2854,-1.1922,9.1803;.8685,.1459,9.1194;-1.1685,.7426,8.7101;-2.2698,1.002,9.1887;-.7222,1.4308,7.9508;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605213708946</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002106924939 0.000385740150 0.023740374861 0.008705005390</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013281664 -0.000101147 0.000130451 0.000223702 0.000430563 0.000491793 0.001197398 0.001862519 0.001966227 0.002871750 0.003579986 0.003851543 0.004162674 0.004541439 0.005536912 0.006154805 0.006802100 0.007055154 0.008266597 0.010432726 0.011928417 0.013111944 0.017130310 0.018843122 0.021414499 0.024701496 0.027305894 0.030187275 0.032587161 0.032942899 0.034254578 0.036480269 0.040154669 0.040822762 0.042953205 0.044556232 0.046566730 0.047659159 0.051588435 0.052178811 0.053739534 0.057419239 0.059342235 0.060472140 0.067280623 0.068023727 0.070923715 0.072600480 0.076975127 0.077493085 0.079352365 0.079775525 0.080845958 0.082795268 0.087650157 0.092265094 0.097995552 0.098938827 0.100418568 0.105611798 0.107162787 0.109419476 0.113301565 0.115683772 0.124464277 0.129910518 0.135324197 0.137896948 0.139623446 0.146680695 0.150773585 0.160960276 0.168781506 0.171792210 0.176470578 0.181701441 0.188420875 0.195321620 0.198072811 0.208509516 0.215889635 0.223642299 0.234989921 0.253509495 0.263902914 0.292400965 0.311198335 0.341847617 0.407611238 0.417289504 0.430730524 0.475539446 0.534977337 0.544863886 0.586931550 0.611986156 0.662071085 0.682995233 0.737272938 0.750501614 0.755712814 0.768045936 0.770035967 0.778114968 0.785149148 0.798326140 0.805152229 0.809376770 0.814721549 0.822022014 0.825866520 0.846657913 0.849097541 0.856059134 0.864310798 0.892721648 0.900915181 0.905403117 0.909362597 0.919311323 0.924387844 0.934110329 0.971099445 0.978928227 1.453133717 1.541375903</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="-3.98850522" y3="-1.48640639" z3="10.53020294">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54144905" y3="-0.58786611" z3="10.06760495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82330418" y3="-1.43036992" z3="11.62273751">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08202652" y3="-1.46824498" z3="10.35266654">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35911913" y3="-2.74890549" z3="9.94914117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75771338" y3="-3.6529845" z3="10.45351116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26852022" y3="-2.74068157" z3="10.12019224">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59192047" y3="-2.91366762" z3="8.44745557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67786966" y3="-2.98650862" z3="8.24557019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10183313" y3="-3.84135743" z3="8.10266124">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78909952" y3="-1.78240715" z3="7.39748454">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03613162" y3="-0.5098682" z3="6.13085528">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64949041" y3="-1.1734698" z3="6.68920326">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37890836" y3="0.5175179" z3="6.22076218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01815622" y3="-0.90096873" z3="4.64211655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05528787" y3="-0.77634949" z3="4.26367569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61072144" y3="-0.19346501" z3="4.06691907">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44248027" y3="-2.33413005" z3="4.37487833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51182123" y3="-2.41816909" z3="4.64089891">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0829742" y3="-3.01126259" z3="5.07138544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23299288" y3="-2.8189875" z3="2.9375844">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52474224" y3="-3.8842687" z3="2.87419233">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84601696" y3="-2.78280938" z3="2.68899202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.01487465" y3="-2.0305903" z3="1.88719807">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.09430753" y3="-2.02652919" z3="2.12460278">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.68484264" y3="-0.97842073" z3="1.8411759">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.89021628" y3="-2.46530223" z3="0.87854264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06571289" y3="-2.71871086" z3="7.76814128">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39148161" y3="-0.58818969" z3="6.77246902">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18953197" y3="0.05643741" z3="6.39011276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14420487" y3="-1.82154199" z3="7.68918734">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03115164" y3="1.4059008" z3="11.50221035">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.68596256" y3="2.13416805" z3="11.08522191">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.05140191" y3="1.7313747" z3="11.22335878">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.04723225" y3="1.44673" z3="12.60489702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26624401" y3="0.00479623" z3="10.96849781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41033993" y3="-0.72492644" z3="11.45100861">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.2951874" y3="-0.27878284" z3="11.25073683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13777387" y3="-0.12657549" z3="9.44922785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.26165756" y3="-1.18939568" z3="9.16987234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87948368" y3="0.1611577" z3="9.12008655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16175614" y3="0.7382984" z3="8.70159018">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26275129" y3="0.9970174" z3="9.18219815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71758527" y3="1.42810249" z3="7.94134515">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9885,-1.4864,10.5302;-3.5414,-.5879,10.0676;-3.8233,-1.4304,11.6227;-5.082,-1.4682,10.3527;-3.3591,-2.7489,9.9491;-3.7577,-3.653,10.4535;-2.2685,-2.7407,10.1202;-3.5919,-2.9137,8.4475;-4.6779,-2.9865,8.2456;-3.1018,-3.8414,8.1027;-1.7891,-1.7824,7.3975;-.0361,-.5099,6.1309;.6495,-1.1735,6.6892;.3789,.5175,6.2208;.0182,-.901,4.6421;1.0553,-.7763,4.2637;-.6107,-.1935,4.0669;-.4425,-2.3341,4.3749;-1.5118,-2.4182,4.6409;.083,-3.0113,5.0714;-.233,-2.819,2.9376;-.5247,-3.8843,2.8742;.846,-2.7828,2.689;-1.0149,-2.0306,1.8872;-2.0943,-2.0265,2.1246;-.6848,-.9784,1.8412;-.8902,-2.4653,.8785;-1.0657,-2.7187,7.7681;-1.3915,-.5882,6.7725;-2.1895,.0564,6.3901;-3.1442,-1.8215,7.6892;.0312,1.4059,11.5022;-.686,2.1342,11.0852;1.0514,1.7314,11.2234;-.0472,1.4467,12.6049;-.2662,.0048,10.9685;.4103,-.7249,11.451;-1.2952,-.2788,11.2507;-.1378,-.1266,9.4492;-.2617,-1.1894,9.1699;.8795,.1612,9.1201;-1.1618,.7383,8.7016;-2.2628,.997,9.1822;-.7176,1.4281,7.9413;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605215906816</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001491566695 0.000290302773 0.026419731310 0.008717591585</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.013207858 -0.000203344 0.000161020 0.000193720 0.000448110 0.000473876 0.001196127 0.001861824 0.001963032 0.002920166 0.003584806 0.003849120 0.004170523 0.004542388 0.005541731 0.006157660 0.006834079 0.007057546 0.008268595 0.010433468 0.011937189 0.013178854 0.017130072 0.018848248 0.021427201 0.024701202 0.027305413 0.030192609 0.032600938 0.032945150 0.034254617 0.036481058 0.040156728 0.040823138 0.042954168 0.044555723 0.046567024 0.047663822 0.051588685 0.052178720 0.053752165 0.057419625 0.059353513 0.060519929 0.067280970 0.068027662 0.070922111 0.072600013 0.076982820 0.077493388 0.079350519 0.079788522 0.080848689 0.082796843 0.087663466 0.092265541 0.098011679 0.098939055 0.100419050 0.105625844 0.107169065 0.109419600 0.113303195 0.115684265 0.124468310 0.129911179 0.135327437 0.137899824 0.139633152 0.146684172 0.150779889 0.160971671 0.168780751 0.171793045 0.176470750 0.181701061 0.188421611 0.195321963 0.198101057 0.208536012 0.215928860 0.223680186 0.234988428 0.253627907 0.263892360 0.292418176 0.311198316 0.341852075 0.407612319 0.417290394 0.430741940 0.475547530 0.535072604 0.544901960 0.586936096 0.611986151 0.662087484 0.683003469 0.737300097 0.750504515 0.755712509 0.768045259 0.770043799 0.778122248 0.785150904 0.798359977 0.805153554 0.809439868 0.814722064 0.822029761 0.825966364 0.846659981 0.849108009 0.856271205 0.864312412 0.892726644 0.900933711 0.905404730 0.909374035 0.919312349 0.924401469 0.934110011 0.971112983 0.978974229 1.453139609 1.541379022</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="-3.98581716" y3="-1.47626712" z3="10.53608093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53851797" y3="-0.5805648" z3="10.07045531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82410322" y3="-1.41484019" z3="11.62807424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07771793" y3="-1.45924216" z3="10.35594109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35382505" y3="-2.74049403" z3="9.96235383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7501286" y3="-3.641853" z3="10.47188703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26389786" y3="-2.72889827" z3="10.13340141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.58672331" y3="-2.91554796" z3="8.46218713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67234314" y3="-2.991591" z3="8.26153522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.09507745" y3="-3.84417822" z3="8.12276943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78772758" y3="-1.78791053" z3="7.40148781">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03775585" y3="-0.51378388" z3="6.13156433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6508875" y3="-1.17663333" z3="6.68910661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37649711" y3="0.51506926" z3="6.21997601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01350398" y3="-0.90322933" z3="4.64224789">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05128207" y3="-0.782146" z3="4.26418291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61208088" y3="-0.1919234" z3="4.06797743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45340023" y3="-2.33355046" z3="4.37119432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52511009" y3="-2.41180566" z3="4.62943556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06318828" y3="-3.0140301" z3="5.07098931">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23599289" y3="-2.81827233" z3="2.93494077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53601941" y3="-3.88131258" z3="2.86813004">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84556596" y3="-2.79066715" z3="2.69577161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.00167838" y3="-2.02212343" z3="1.87784603">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08251482" y3="-2.00495782" z3="2.10818282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65842291" y3="-0.97388736" z3="1.83172724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.87587989" y3="-2.45997137" z3="0.87039425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06288308" y3="-2.72351463" z3="7.76898841">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3912647" y3="-0.5916668" z3="6.77771552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19136884" y3="0.04862749" z3="6.39174401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14157197" y3="-1.82729101" z3="7.69681679">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.01680439" y3="1.39732342" z3="11.50285765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.7007956" y3="2.12201697" z3="11.08340391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.03834587" y3="1.728526" z3="11.23386969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06792586" y3="1.43205807" z3="12.60483508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26970337" y3="-0.00145384" z3="10.96045135">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41276695" y3="-0.73174607" z3="11.43775728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29600837" y3="-0.29340458" z3="11.24015892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13317193" y3="-0.12385567" z3="9.44061235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24392722" y3="-1.18732306" z3="9.15787436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88306272" y3="0.17580744" z3="9.11762722">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16304412" y3="0.73285428" z3="8.69038246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26342503" y3="0.99094385" z3="9.17468979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72044193" y3="1.42609769" z3="7.9327475">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9858,-1.4763,10.5361;-3.5385,-.5806,10.0705;-3.8241,-1.4148,11.6281;-5.0777,-1.4592,10.3559;-3.3538,-2.7405,9.9624;-3.7501,-3.6419,10.4719;-2.2639,-2.7289,10.1334;-3.5867,-2.9155,8.4622;-4.6723,-2.9916,8.2615;-3.0951,-3.8442,8.1228;-1.7877,-1.7879,7.4015;-.0378,-.5138,6.1316;.6509,-1.1766,6.6891;.3765,.5151,6.22;.0135,-.9032,4.6422;1.0513,-.7821,4.2642;-.6121,-.1919,4.068;-.4534,-2.3336,4.3712;-1.5251,-2.4118,4.6294;.0632,-3.014,5.071;-.236,-2.8183,2.9349;-.536,-3.8813,2.8681;.8456,-2.7907,2.6958;-1.0017,-2.0221,1.8778;-2.0825,-2.005,2.1082;-.6584,-.9739,1.8317;-.8759,-2.46,.8704;-1.0629,-2.7235,7.769;-1.3913,-.5917,6.7777;-2.1914,.0486,6.3917;-3.1416,-1.8273,7.6968;.0168,1.3973,11.5029;-.7008,2.122,11.0834;1.0383,1.7285,11.2339;-.0679,1.4321,12.6048;-.2697,-.0015,10.9605;.4128,-.7317,11.4378;-1.296,-.2934,11.2402;-.1332,-.1239,9.4406;-.2439,-1.1873,9.1579;.8831,.1758,9.1176;-1.163,.7329,8.6904;-2.2634,.9909,9.1747;-.7204,1.4261,7.9327;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605218257603</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001626557285 0.000293276737 0.027112500355 0.008697116955</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.012250750 -0.000320484 0.000098775 0.000116087 0.000380483 0.000460248 0.001194181 0.001859344 0.001905613 0.003079342 0.003540440 0.003788458 0.004198750 0.004543002 0.005550501 0.006151751 0.006885502 0.007104109 0.008293590 0.010417210 0.011955688 0.013277891 0.017127351 0.018847604 0.021439109 0.024699683 0.027306305 0.030201163 0.032648810 0.032945007 0.034262073 0.036478544 0.040153700 0.040823318 0.042922994 0.044545011 0.046565492 0.047641243 0.051582644 0.052179987 0.053739015 0.057419435 0.059346789 0.060655884 0.067283006 0.068005991 0.070910176 0.072601927 0.077008997 0.077499054 0.079317551 0.079810953 0.080811064 0.082792610 0.087550786 0.092050352 0.098022746 0.098939938 0.100420800 0.105645487 0.107173462 0.109424140 0.113304849 0.115688027 0.124404521 0.129912749 0.135329759 0.137910444 0.139671774 0.146683910 0.150780091 0.160980273 0.168794680 0.171808527 0.176513311 0.181738067 0.188419045 0.195332925 0.198015268 0.208541610 0.215892391 0.223659963 0.234990127 0.253669746 0.263864802 0.292421328 0.311196700 0.341861249 0.407599773 0.417298235 0.430801946 0.475559110 0.535134425 0.544947640 0.586940921 0.611987109 0.662127836 0.682988909 0.737331404 0.750506852 0.755712097 0.768025792 0.770045144 0.778127217 0.785151915 0.798403282 0.805156853 0.809722999 0.814732709 0.822031223 0.826052873 0.846674576 0.849115668 0.856438914 0.864314137 0.892726977 0.900936554 0.905395145 0.909379398 0.919313597 0.924423717 0.934114081 0.971124035 0.979021232 1.453148039 1.541386709</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="-3.98330316" y3="-1.46147337" z3="10.53453576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54115666" y3="-0.56612951" z3="10.06027728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81817775" y3="-1.39059061" z3="11.62618003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07708759" y3="-1.45366959" z3="10.3570349">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34527724" y3="-2.72683591" z3="9.96957736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73540545" y3="-3.62724255" z3="10.48693081">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25438381" y3="-2.70734348" z3="10.1385319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.57974389" y3="-2.91374242" z3="8.47094317">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.66534911" y3="-2.99407008" z3="8.27169831">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.08567847" y3="-3.84302115" z3="8.1372195">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78472027" y3="-1.78802161" z3="7.40390305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03742684" y3="-0.51370885" z3="6.13013122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65172601" y3="-1.17711044" z3="6.68474918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37816486" y3="0.51382695" z3="6.21722184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00864383" y3="-0.9036455" z3="4.64072464">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04493192" y3="-0.77880575" z3="4.25916383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62149572" y3="-0.19433758" z3="4.06811356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45391563" y3="-2.33633266" z3="4.37030713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52517283" y3="-2.41971586" z3="4.63097956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06811979" y3="-3.01581364" z3="5.06786912">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23804109" y3="-2.8192288" z3="2.9330102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53968753" y3="-3.88129011" z3="2.86463383">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84344547" y3="-2.79296317" z3="2.69327475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.00249048" y3="-2.02038149" z3="1.87773903">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.0835298" y3="-2.00143888" z3="2.10786155">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65744364" y3="-0.97326444" z3="1.83362353">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8768852" y3="-2.45662229" z3="0.87014552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.05864384" y3="-2.7224643" z3="7.77050313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38821871" y3="-0.58820556" z3="6.78338851">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19001451" y3="0.04790599" z3="6.39389279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13754728" y3="-1.82924114" z3="7.69759704">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.0016367" y3="1.38273872" z3="11.51126049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.72539307" y3="2.10665483" z3="11.09920736">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.01657597" y3="1.72553373" z3="11.24563834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.08882033" y3="1.40494557" z3="12.61313966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27568404" y3="-0.01398787" z3="10.95292313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40432232" y3="-0.74220476" z3="11.43318462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30367564" y3="-0.31286652" z3="11.22059587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12647165" y3="-0.12540907" z3="9.4331977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.22713241" y3="-1.18778605" z3="9.14575572">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89093957" y3="0.18449248" z3="9.12109535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1573247" y3="0.72756048" z3="8.67685684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25722392" y3="0.98956569" z3="9.16346584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71107256" y3="1.42512789" z3="7.92428988">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9833,-1.4615,10.5345;-3.5412,-.5661,10.0603;-3.8182,-1.3906,11.6262;-5.0771,-1.4537,10.357;-3.3453,-2.7268,9.9696;-3.7354,-3.6272,10.4869;-2.2544,-2.7073,10.1385;-3.5797,-2.9137,8.4709;-4.6653,-2.9941,8.2717;-3.0857,-3.843,8.1372;-1.7847,-1.788,7.4039;-.0374,-.5137,6.1301;.6517,-1.1771,6.6847;.3782,.5138,6.2172;.0086,-.9036,4.6407;1.0449,-.7788,4.2592;-.6215,-.1943,4.0681;-.4539,-2.3363,4.3703;-1.5252,-2.4197,4.631;.0681,-3.0158,5.0679;-.238,-2.8192,2.933;-.5397,-3.8813,2.8646;.8434,-2.793,2.6933;-1.0025,-2.0204,1.8777;-2.0835,-2.0014,2.1079;-.6574,-.9733,1.8336;-.8769,-2.4566,.8701;-1.0586,-2.7225,7.7705;-1.3882,-.5882,6.7834;-2.19,.0479,6.3939;-3.1375,-1.8292,7.6976;-.0016,1.3827,11.5113;-.7254,2.1067,11.0992;1.0166,1.7255,11.2456;-.0888,1.4049,12.6131;-.2757,-.014,10.9529;.4043,-.7422,11.4332;-1.3037,-.3129,11.2206;-.1265,-.1254,9.4332;-.2271,-1.1878,9.1458;.8909,.1845,9.1211;-1.1573,.7276,8.6769;-2.2572,.9896,9.1635;-.7111,1.4251,7.9243;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605216982731</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002206524240 0.000357694530 0.029858873306 0.008772413666</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.012683085 -0.000302976 0.000089939 0.000198656 0.000366745 0.000495171 0.001223116 0.001860072 0.001913474 0.003144628 0.003536246 0.003797571 0.004203091 0.004543397 0.005554110 0.006171245 0.006877464 0.007131800 0.008297413 0.010416671 0.011956330 0.013310370 0.017127487 0.018845992 0.021442577 0.024699055 0.027305764 0.030202432 0.032649234 0.032944939 0.034264710 0.036477484 0.040196216 0.040824171 0.042932521 0.044544806 0.046565529 0.047636359 0.051583929 0.052180265 0.053739775 0.057424583 0.059351637 0.060722558 0.067286894 0.068003917 0.070908684 0.072615044 0.076998477 0.077507931 0.079333820 0.079832037 0.080834345 0.082801738 0.087540062 0.092083576 0.098030573 0.098941328 0.100423525 0.105642382 0.107173588 0.109426657 0.113305299 0.115689276 0.124421897 0.129913376 0.135336869 0.137912333 0.139682694 0.146692989 0.150783319 0.160982709 0.168804565 0.171820132 0.176574210 0.181746016 0.188433856 0.195390502 0.198013422 0.208554573 0.215897348 0.223683515 0.235035169 0.253732142 0.263858601 0.292431941 0.311196587 0.341952030 0.407655197 0.417301623 0.430851558 0.475562438 0.535149333 0.544966178 0.586943782 0.611991000 0.662151042 0.682994726 0.737340497 0.750507567 0.755711980 0.768062686 0.770047360 0.778129994 0.785152057 0.798431772 0.805157612 0.810108490 0.814743754 0.822038016 0.826079414 0.846685744 0.849121722 0.856516865 0.864318105 0.892727294 0.900964875 0.905413932 0.909378889 0.919319722 0.924434072 0.934116877 0.971218251 0.979048795 1.453147774 1.541393217</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="-3.98673295" y3="-1.45032324" z3="10.52688129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53931718" y3="-0.55762914" z3="10.05579935">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.83416906" y3="-1.37703431" z3="11.6195111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.0772543" y3="-1.44113334" z3="10.33798125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34294203" y3="-2.71660272" z3="9.970925">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73338111" y3="-3.61467668" z3="10.49013782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25365849" y3="-2.6941045" z3="10.14553456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.56926954" y3="-2.91188308" z3="8.47250805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.65347301" y3="-2.99838319" z3="8.26847887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.06843217" y3="-3.8399332" z3="8.14506033">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77619365" y3="-1.78587262" z3="7.40253701">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03213967" y3="-0.50958405" z3="6.12633235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.66075384" y3="-1.17034016" z3="6.68018549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.38150639" y3="0.51934773" z3="6.2095116">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00971372" y3="-0.90199672" z3="4.63740513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04372061" y3="-0.77482749" z3="4.2517899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62385906" y3="-0.19539618" z3="4.06690156">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44840255" y3="-2.335574" z3="4.36966062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51717374" y3="-2.42265739" z3="4.63630832">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07923723" y3="-3.0126237" z3="5.0641591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23863536" y3="-2.81860663" z3="2.93128954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52958354" y3="-3.88489741" z3="2.86725203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84100887" y3="-2.78153691" z3="2.68332389">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.02073588" y3="-2.02977673" z3="1.87955246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.10036013" y3="-2.02188239" z3="2.11817439">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.68730251" y3="-0.97788003" z3="1.82904879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.89938185" y3="-2.46811833" z3="0.87182539">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.04910218" y3="-2.72025839" z3="7.76607173">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38052836" y3="-0.58403962" z3="6.78461767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18373562" y3="0.05075486" z3="6.39555624">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.12874261" y3="-1.82839123" z3="7.69730229">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.01510974" y3="1.37064517" z3="11.52192052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.73675061" y3="2.092987" z3="11.10615908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.00575026" y3="1.71609148" z3="11.26789384">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.10981775" y3="1.38804386" z3="12.62324132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28234392" y3="-0.02244418" z3="10.95463725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39816794" y3="-0.75338839" z3="11.43311644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.30996019" y3="-0.32508364" z3="11.21571502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12144949" y3="-0.12570794" z3="9.43508289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21419546" y3="-1.1882658" z3="9.14271947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89698147" y3="0.18975114" z3="9.13127365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15035759" y3="0.72647517" z3="8.67445056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25077643" y3="0.9911698" z3="9.15911062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.69993439" y3="1.42497443" z3="7.92542904">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9867,-1.4503,10.5269;-3.5393,-.5576,10.0558;-3.8342,-1.377,11.6195;-5.0773,-1.4411,10.338;-3.3429,-2.7166,9.9709;-3.7334,-3.6147,10.4901;-2.2537,-2.6941,10.1455;-3.5693,-2.9119,8.4725;-4.6535,-2.9984,8.2685;-3.0684,-3.8399,8.1451;-1.7762,-1.7859,7.4025;-.0321,-.5096,6.1263;.6608,-1.1703,6.6802;.3815,.5193,6.2095;.0097,-.902,4.6374;1.0437,-.7748,4.2518;-.6239,-.1954,4.0669;-.4484,-2.3356,4.3697;-1.5172,-2.4227,4.6363;.0792,-3.0126,5.0642;-.2386,-2.8186,2.9313;-.5296,-3.8849,2.8673;.841,-2.7815,2.6833;-1.0207,-2.0298,1.8796;-2.1004,-2.0219,2.1182;-.6873,-.9779,1.829;-.8994,-2.4681,.8718;-1.0491,-2.7203,7.7661;-1.3805,-.584,6.7846;-2.1837,.0508,6.3956;-3.1287,-1.8284,7.6973;-.0151,1.3706,11.5219;-.7368,2.093,11.1062;1.0058,1.7161,11.2679;-.1098,1.388,12.6232;-.2823,-.0224,10.9546;.3982,-.7534,11.4331;-1.31,-.3251,11.2157;-.1214,-.1257,9.4351;-.2142,-1.1883,9.1427;.897,.1898,9.1313;-1.1504,.7265,8.6745;-2.2508,.9912,9.1591;-.6999,1.425,7.9254;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605209201309</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.002573639419 0.000385280725 0.020459187258 0.008686011359</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.012552208 -0.000297962 0.000090083 0.000240497 0.000395784 0.000498291 0.001262981 0.001861064 0.001908674 0.003219821 0.003588766 0.003802649 0.004230825 0.004546278 0.005553369 0.006174114 0.006884844 0.007161801 0.008298492 0.010418286 0.011957017 0.013329846 0.017126248 0.018846586 0.021445807 0.024699119 0.027306540 0.030210562 0.032688545 0.032946137 0.034267730 0.036477510 0.040193496 0.040824781 0.042930884 0.044545774 0.046565538 0.047638574 0.051588464 0.052185788 0.053740866 0.057431354 0.059351927 0.060748125 0.067290600 0.068004662 0.070908704 0.072629206 0.077004442 0.077511719 0.079330287 0.079865875 0.080831857 0.082805182 0.087593588 0.092104762 0.098029845 0.098941330 0.100426860 0.105678501 0.107178141 0.109425797 0.113307475 0.115693324 0.124438781 0.129913207 0.135348398 0.137910948 0.139681836 0.146702606 0.150782636 0.160980805 0.168806801 0.171818400 0.176582521 0.181754631 0.188438227 0.195500850 0.198071364 0.208567327 0.215894221 0.223680115 0.235026111 0.253815319 0.263849245 0.292428136 0.311196907 0.342070144 0.407662598 0.417307679 0.430906644 0.475565872 0.535187979 0.545002260 0.586945842 0.611994265 0.662160732 0.683016784 0.737340076 0.750508961 0.755712793 0.768072533 0.770050808 0.778130737 0.785152822 0.798482295 0.805157990 0.810109902 0.814744129 0.822048476 0.826541232 0.846703698 0.849121415 0.856626349 0.864315070 0.892728123 0.901034889 0.905419331 0.909398528 0.919320764 0.924436142 0.934125679 0.971216126 0.979051931 1.453151237 1.541401742</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="-3.98103242" y3="-1.45256139" z3="10.52355873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53673485" y3="-0.55639799" z3="10.05266619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82246535" y3="-1.38279969" z3="11.61613042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07376831" y3="-1.4452223" z3="10.33946509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.33916268" y3="-2.71686492" z3="9.96069218">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.72912877" y3="-3.61791225" z3="10.47681241">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.24880917" y3="-2.69546417" z3="10.13287243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.56877053" y3="-2.90327264" z3="8.46164942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.65348485" y3="-2.98646305" z3="8.25937367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.07084031" y3="-3.83027505" z3="8.12798189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.77469591" y3="-1.77452056" z3="7.39537901">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03314644" y3="-0.49540179" z3="6.11745475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.66460149" y3="-1.1503121" z3="6.67267897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37604551" y3="0.53591387" z3="6.19429785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00490448" y3="-0.89644579" z3="4.63039327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03648973" y3="-0.76328268" z3="4.23857204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63842013" y3="-0.19845839" z3="4.05784056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44488" y3="-2.33652133" z3="4.37561299">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51219979" y3="-2.42989591" z3="4.64878491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0922393" y3="-3.00471583" z3="5.07297712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.24009045" y3="-2.82818382" z3="2.93965609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52977916" y3="-3.89416639" z3="2.88292029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.83797361" y3="-2.79062999" z3="2.6869003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.02646268" y3="-2.0472861" z3="1.88737892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.10485554" y3="-2.04174836" z3="2.12922328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.69610908" y3="-0.99609365" z3="1.83293245">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.90588359" y3="-2.48857752" z3="0.8812537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.04816762" y3="-2.71080381" z3="7.75641076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3800731" y3="-0.57299481" z3="6.77819697">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.1830912" y3="0.06633768" z3="6.39660933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.1273835" y3="-1.81650824" z3="7.69161766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.01889086" y3="1.36117888" z3="11.53327475">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.7391603" y3="2.0880701" z3="11.12027688">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.00164309" y3="1.7092152" z3="11.28334461">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.11852757" y3="1.37120335" z3="12.63498244">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28392645" y3="-0.03011697" z3="10.95798815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39285311" y3="-0.76233473" z3="11.43746492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.31396725" y3="-0.33457011" z3="11.21212869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.11932256" y3="-0.12510843" z3="9.43893963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.21450763" y3="-1.18495449" z3="9.1383054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89984841" y3="0.19024841" z3="9.14072397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.14313135" y3="0.73526513" z3="8.68132595">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.2437376" y3="1.00139568" z3="9.16355328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.6903535" y3="1.43142428" z3="7.93177052">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.981,-1.4526,10.5236;-3.5367,-.5564,10.0527;-3.8225,-1.3828,11.6161;-5.0738,-1.4452,10.3395;-3.3392,-2.7169,9.9607;-3.7291,-3.6179,10.4768;-2.2488,-2.6955,10.1329;-3.5688,-2.9033,8.4616;-4.6535,-2.9865,8.2594;-3.0708,-3.8303,8.128;-1.7747,-1.7745,7.3954;-.0331,-.4954,6.1175;.6646,-1.1503,6.6727;.376,.5359,6.1943;.0049,-.8964,4.6304;1.0365,-.7633,4.2386;-.6384,-.1985,4.0578;-.4449,-2.3365,4.3756;-1.5122,-2.4299,4.6488;.0922,-3.0047,5.073;-.2401,-2.8282,2.9397;-.5298,-3.8942,2.8829;.838,-2.7906,2.6869;-1.0265,-2.0473,1.8874;-2.1049,-2.0417,2.1292;-.6961,-.9961,1.8329;-.9059,-2.4886,.8813;-1.0482,-2.7108,7.7564;-1.3801,-.573,6.7782;-2.1831,.0663,6.3966;-3.1274,-1.8165,7.6916;-.0189,1.3612,11.5333;-.7392,2.0881,11.1203;1.0016,1.7092,11.2833;-.1185,1.3712,12.635;-.2839,-.0301,10.958;.3929,-.7623,11.4375;-1.314,-.3346,11.2121;-.1193,-.1251,9.4389;-.2145,-1.185,9.1383;.8998,.1902,9.1407;-1.1431,.7353,8.6813;-2.2437,1.0014,9.1636;-.6904,1.4314,7.9318;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605208119527</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001218388623 0.000300479485 0.024364501947 0.008701904739</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.010368203 -0.000492273 -0.000249845 0.000049396 0.000262597 0.000373946 0.001232504 0.001761595 0.001952623 0.003184567 0.003572172 0.003679534 0.004268582 0.004542195 0.005524325 0.005801232 0.006885451 0.007175754 0.008273857 0.010416046 0.011959133 0.013317609 0.017111341 0.018841032 0.021448537 0.024697344 0.027303344 0.030228672 0.032753767 0.032953165 0.034259669 0.036479319 0.040235758 0.040826602 0.042835883 0.044542482 0.046557690 0.047623042 0.051593913 0.052210771 0.053722074 0.057439290 0.059343590 0.060796606 0.067292286 0.068043636 0.070963979 0.072702138 0.077002305 0.077522249 0.079281021 0.079961328 0.080855244 0.082830979 0.087465141 0.091972714 0.098119153 0.098952390 0.100432528 0.105734420 0.107187675 0.109425355 0.113309962 0.115700748 0.124422106 0.129914227 0.135364044 0.137896760 0.139665413 0.146728538 0.150777590 0.160967761 0.168797627 0.171790186 0.176503345 0.181733481 0.188451910 0.195733237 0.198029762 0.208594019 0.215838031 0.223720961 0.234989598 0.253849856 0.263911822 0.292427846 0.311200243 0.342289202 0.407709284 0.417294879 0.431033287 0.475565038 0.535284017 0.545033064 0.586947785 0.611998890 0.662166666 0.683103533 0.737339802 0.750515801 0.755715166 0.768088010 0.770065308 0.778131559 0.785167104 0.798518589 0.805164338 0.810251898 0.814736842 0.822053467 0.826545951 0.846741610 0.849123905 0.856926295 0.864309978 0.892714683 0.901097316 0.905437884 0.909449432 0.919321276 0.924485310 0.934148819 0.971237782 0.979048166 1.453141185 1.541404082</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="-3.97376715" y3="-1.46268526" z3="10.53657683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53017735" y3="-0.56568195" z3="10.06846367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80496109" y3="-1.40172046" z3="11.62785182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06753142" y3="-1.44778778" z3="10.36332719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34331769" y3="-2.72570021" z3="9.95841546">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73583048" y3="-3.62823073" z3="10.46937193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25206633" y3="-2.71293516" z3="10.12349767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.58349362" y3="-2.89887285" z3="8.45929293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67016949" y3="-2.97232785" z3="8.26337392">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.09520481" y3="-3.82793732" z3="8.11650186">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.78647027" y3="-1.77348221" z3="7.39403897">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03884545" y3="-0.49844031" z3="6.12063864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65422998" y3="-1.15555507" z3="6.67847646">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37174382" y3="0.53172759" z3="6.20201755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00807406" y3="-0.89673613" z3="4.63356833">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04190905" y3="-0.76504724" z3="4.24811674">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63023152" y3="-0.19683566" z3="4.05902029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44180192" y3="-2.33510547" z3="4.37430657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51037324" y3="-2.42715826" z3="4.64164715">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09017153" y3="-3.00480663" z3="5.07329354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22899859" y3="-2.82494701" z3="2.9390066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51127999" y3="-3.89340187" z3="2.8810783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84992655" y3="-2.78014237" z3="2.69017614">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.01790119" y3="-2.04852269" z3="1.88432493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.09779707" y3="-2.05401147" z3="2.12076442">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.69770655" y3="-0.99324936" z3="1.83365313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8882612" y3="-2.48639669" z3="0.87762289">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0622926" y3="-2.71151708" z3="7.75688602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.38947421" y3="-0.57597967" z3="6.77274211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18959723" y3="0.06773477" z3="6.39272166">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.13922601" y3="-1.81074171" z3="7.69336887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="-0.00602804" y3="1.36903557" z3="11.5232883">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.72229438" y3="2.09779468" z3="11.10664782">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.01700997" y3="1.70842226" z3="11.26994868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.10433965" y3="1.38749818" z3="12.62529465">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.28122843" y3="-0.02391152" z3="10.95771497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39664626" y3="-0.75706647" z3="11.43479904">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.31050225" y3="-0.32267638" z3="11.22037177">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.12695176" y3="-0.1252297" z3="9.43852656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.22869568" y3="-1.18608067" z3="9.13937972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.89189258" y3="0.18446287" z3="9.13238719">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1510328" y3="0.73868703" z3="8.68705948">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25058336" y3="1.00374419" z3="9.17023008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.70153276" y3="1.43120139" z3="7.93258199">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9738,-1.4627,10.5366;-3.5302,-.5657,10.0685;-3.805,-1.4017,11.6279;-5.0675,-1.4478,10.3633;-3.3433,-2.7257,9.9584;-3.7358,-3.6282,10.4694;-2.2521,-2.7129,10.1235;-3.5835,-2.8989,8.4593;-4.6702,-2.9723,8.2634;-3.0952,-3.8279,8.1165;-1.7865,-1.7735,7.394;-.0388,-.4984,6.1206;.6542,-1.1556,6.6785;.3717,.5317,6.202;.0081,-.8967,4.6336;1.0419,-.765,4.2481;-.6302,-.1968,4.059;-.4418,-2.3351,4.3743;-1.5104,-2.4272,4.6416;.0902,-3.0048,5.0733;-.229,-2.8249,2.939;-.5113,-3.8934,2.8811;.8499,-2.7801,2.6902;-1.0179,-2.0485,1.8843;-2.0978,-2.054,2.1208;-.6977,-.9932,1.8337;-.8883,-2.4864,.8776;-1.0623,-2.7115,7.7569;-1.3895,-.576,6.7727;-2.1896,.0677,6.3927;-3.1392,-1.8107,7.6934;-.006,1.369,11.5233;-.7223,2.0978,11.1066;1.017,1.7084,11.2699;-.1043,1.3875,12.6253;-.2812,-.0239,10.9577;.3966,-.7571,11.4348;-1.3105,-.3227,11.2204;-.127,-.1252,9.4385;-.2287,-1.1861,9.1394;.8919,.1845,9.1324;-1.151,.7387,8.6871;-2.2506,1.0037,9.1702;-.7015,1.4312,7.9326;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605218932975</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001116100448 0.000200539277 0.024575316620 0.008715475448</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.009665855 -0.000249885 -0.000020629 0.000114443 0.000289548 0.000396788 0.001203175 0.001685135 0.001876204 0.003161103 0.003566921 0.003660984 0.004246407 0.004543950 0.005541895 0.005791660 0.006915758 0.007162951 0.008294725 0.010391636 0.011960328 0.013295436 0.017122288 0.018840194 0.021448119 0.024701800 0.027299657 0.030227480 0.032772648 0.032953556 0.034256134 0.036480035 0.040252770 0.040828198 0.042902550 0.044540547 0.046556510 0.047621765 0.051598514 0.052216339 0.053715662 0.057428652 0.059341980 0.060848707 0.067293102 0.068109972 0.071099556 0.072715912 0.077012329 0.077529136 0.079380432 0.079974257 0.080975777 0.082887261 0.087470966 0.091991489 0.098393286 0.098992568 0.100433648 0.105780728 0.107197601 0.109430284 0.113307228 0.115700612 0.124418014 0.129912222 0.135363254 0.137902133 0.139708618 0.146736742 0.150792089 0.160967731 0.168799567 0.171792709 0.176513557 0.181744329 0.188454320 0.195741714 0.198067080 0.208641076 0.215903470 0.223812633 0.235020107 0.253870502 0.264252586 0.292419068 0.311212956 0.342304255 0.407710919 0.417294309 0.431037105 0.475565358 0.535449360 0.545037618 0.586975518 0.612007304 0.662166658 0.683474422 0.737344386 0.750516779 0.755716468 0.768328076 0.770067008 0.778134595 0.785174906 0.798517420 0.805168776 0.810593907 0.814738483 0.822057456 0.827012002 0.846748847 0.849126120 0.857612517 0.864326115 0.892715566 0.901099932 0.905440859 0.909626518 0.919320194 0.924582499 0.934149005 0.971281610 0.979052666 1.453139162 1.541408845</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="-3.97410935" y3="-1.46884382" z3="10.54147028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53324425" y3="-0.57169203" z3="10.07026391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79870162" y3="-1.40722997" z3="11.63193953">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06924065" y3="-1.45443485" z3="10.37447656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34698712" y3="-2.73234638" z3="9.96043511">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.73964704" y3="-3.63494805" z3="10.47152702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25523951" y3="-2.72152865" z3="10.12273989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59086403" y3="-2.90359746" z3="8.46156575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67825493" y3="-2.97218051" z3="8.26770021">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10762926" y3="-3.83491908" z3="8.11757522">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79004201" y3="-1.78288132" z3="7.39731012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03609091" y3="-0.51240321" z3="6.12821843">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65154823" y3="-1.17477898" z3="6.68722266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37867788" y3="0.5161122" z3="6.21573441">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01642534" y3="-0.90381888" z3="4.63933098">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05314884" y3="-0.7751269" z3="4.25996828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.6156569" y3="-0.19776147" z3="4.0646657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.4398382" y3="-2.33878763" z3="4.37039842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50916292" y3="-2.42775176" z3="4.63687328">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.08920128" y3="-3.01543995" z3="5.06572756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22927556" y3="-2.81919303" z3="2.93138582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51686623" y3="-3.8851996" z3="2.86505908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84960314" y3="-2.77783778" z3="2.68248169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.01378037" y3="-2.03112867" z3="1.88283892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.09306974" y3="-2.03124016" z3="2.1205553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.68688352" y3="-0.9783124" z3="1.83908093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.88785932" y3="-2.4628926" z3="0.87298131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06781055" y3="-2.72111096" z3="7.76313256">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39017867" y3="-0.58767337" z3="6.77367196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18822629" y3="0.055805" z3="6.3888118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14339614" y3="-1.81722591" z3="7.69492951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.00138403" y3="1.38533837" z3="11.51182138">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.7160345" y3="2.11284716" z3="11.09485385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.02283165" y3="1.72141056" z3="11.24874659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.08895272" y3="1.41207349" z3="12.61388966">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27932885" y3="-0.01104696" z3="10.95865481">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.39905349" y3="-0.74205975" z3="11.4383643">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.3083074" y3="-0.30606409" z3="11.22788205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13238976" y3="-0.124578" z3="9.43921766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24007306" y3="-1.18614337" z3="9.15002283">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88538003" y3="0.17834998" z3="9.12530503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15821146" y3="0.73520162" z3="8.68608711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25844598" y3="0.99790881" z3="9.16859411">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7118169" y3="1.42651766" z3="7.92886128">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a33" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" 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:-3.9741,-1.4688,10.5415;-3.5332,-.5717,10.0703;-3.7987,-1.4072,11.6319;-5.0692,-1.4544,10.3745;-3.347,-2.7323,9.9604;-3.7396,-3.6349,10.4715;-2.2552,-2.7215,10.1227;-3.5909,-2.9036,8.4616;-4.6783,-2.9722,8.2677;-3.1076,-3.8349,8.1176;-1.79,-1.7829,7.3973;-.0361,-.5124,6.1282;.6515,-1.1748,6.6872;.3787,.5161,6.2157;.0164,-.9038,4.6393;1.0531,-.7751,4.26;-.6157,-.1978,4.0647;-.4398,-2.3388,4.3704;-1.5092,-2.4278,4.6369;.0892,-3.0154,5.0657;-.2293,-2.8192,2.9314;-.5169,-3.8852,2.8651;.8496,-2.7778,2.6825;-1.0138,-2.0311,1.8828;-2.0931,-2.0312,2.1206;-.6869,-.9783,1.8391;-.8879,-2.4629,.873;-1.0678,-2.7211,7.7631;-1.3902,-.5877,6.7737;-2.1882,.0558,6.3888;-3.1434,-1.8172,7.6949;.0014,1.3853,11.5118;-.716,2.1128,11.0949;1.0228,1.7214,11.2487;-.089,1.4121,12.6139;-.2793,-.011,10.9587;.3991,-.7421,11.4384;-1.3083,-.3061,11.2279;-.1324,-.1246,9.4392;-.2401,-1.1861,9.15;.8854,.1783,9.1253;-1.1582,.7352,8.6861;-2.2584,.9979,9.1686;-.7118,1.4265,7.9289;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605218705090</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000968362529 0.000211365585 0.025704503853 0.008705045523</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.009556428 -0.000036096 0.000045006 0.000127803 0.000305814 0.000395138 0.001226377 0.001685540 0.001889425 0.003163004 0.003606243 0.003675903 0.004274064 0.004545076 0.005541597 0.005775542 0.006905817 0.007165421 0.008295559 0.010384851 0.011966687 0.013296381 0.017123623 0.018842383 0.021449038 0.024703871 0.027300379 0.030225544 0.032766806 0.032954159 0.034254302 0.036480624 0.040248710 0.040832639 0.042899897 0.044544500 0.046556932 0.047622811 0.051600075 0.052224697 0.053720460 0.057430805 0.059342159 0.060857650 0.067293338 0.068112496 0.071105796 0.072712390 0.077038979 0.077531006 0.079389377 0.079976449 0.080981676 0.082895543 0.087476813 0.091995699 0.098419549 0.098991779 0.100433729 0.105777678 0.107196364 0.109432476 0.113306127 0.115701500 0.124419739 0.129911588 0.135365292 0.137905277 0.139724283 0.146734748 0.150803801 0.160972742 0.168802394 0.171794557 0.176514633 0.181744960 0.188452263 0.195888725 0.198074285 0.208654815 0.215918259 0.223831275 0.235039876 0.253878988 0.264254541 0.292428363 0.311214091 0.342445617 0.407717780 0.417295025 0.431100132 0.475565284 0.535441602 0.545038450 0.586976104 0.612013682 0.662168009 0.683476047 0.737355566 0.750522101 0.755717412 0.768343094 0.770072689 0.778136670 0.785189990 0.798532040 0.805176545 0.810614814 0.814738750 0.822057477 0.827148346 0.846764006 0.849128018 0.857613670 0.864342767 0.892715773 0.901130220 0.905472254 0.909663831 0.919321046 0.924587299 0.934168288 0.971289538 0.979065035 1.453151892 1.541412445</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="-3.98359309" y3="-1.48072904" z3="10.53601984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53730856" y3="-0.58296681" z3="10.07250985">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.81730981" y3="-1.42433791" z3="11.62773342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07664504" y3="-1.46295938" z3="10.36025558">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35416005" y3="-2.74269578" z3="9.95443744">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75001954" y3="-3.64656609" z3="10.46029846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26352302" y3="-2.73279562" z3="10.1225513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59068988" y3="-2.90934872" z3="8.45404448">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67693426" y3="-2.98186015" z3="8.25498324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10172773" y3="-3.83730393" z3="8.10879989">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79087452" y3="-1.77925556" z3="7.39931956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04084034" y3="-0.50565831" z3="6.12888932">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64846139" y3="-1.16670186" z3="6.68634449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37296771" y3="0.52291283" z3="6.21399806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00848848" y3="-0.89995781" z3="4.64057905">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04429942" y3="-0.77321825" z3="4.25923568">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62320826" y3="-0.19461718" z3="4.0658316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44903936" y3="-2.33461308" z3="4.37504664">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51940814" y3="-2.42008396" z3="4.63663193">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07457617" y3="-3.00980979" z3="5.07475275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23255464" y3="-2.823014" z3="2.93965038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52956728" y3="-3.8874992" z3="2.87706303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84869874" y3="-2.79305825" z3="2.69846586">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.0028111" y3="-2.0326162" z3="1.88097184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.0833044" y3="-2.01615952" z3="2.11435636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66117902" y3="-0.98369045" z3="1.82891188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.87931514" y3="-2.47489257" z3="0.87514895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06693987" y3="-2.71617859" z3="7.76483312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3927748" y3="-0.58125506" z3="6.77882892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19264404" y3="0.05982221" z3="6.39376823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14441831" y3="-1.81808523" z3="7.69342583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.02080337" y3="1.39452549" z3="11.50728803">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.69714583" y3="2.12078602" z3="11.09041424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.04223094" y3="1.72495922" z3="11.23773506">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06368168" y3="1.4275933" z3="12.60929838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.2681169" y3="-0.0030644" z3="10.96220378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41099354" y3="-0.73488586" z3="11.44044661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29609593" y3="-0.29268726" z3="11.23998468">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13172642" y3="-0.12411612" z3="9.44139169">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24452475" y3="-1.18679226" z3="9.15892132">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88458893" y3="0.17507783" z3="9.11823213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16183809" y3="0.73416862" z3="8.69194483">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26179171" y3="0.99158093" z3="9.17889814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71875897" y3="1.43143508" z3="7.93792698">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9836,-1.4807,10.536;-3.5373,-.583,10.0725;-3.8173,-1.4243,11.6277;-5.0766,-1.463,10.3603;-3.3542,-2.7427,9.9544;-3.75,-3.6466,10.4603;-2.2635,-2.7328,10.1226;-3.5907,-2.9093,8.454;-4.6769,-2.9819,8.255;-3.1017,-3.8373,8.1088;-1.7909,-1.7793,7.3993;-.0408,-.5057,6.1289;.6485,-1.1667,6.6863;.373,.5229,6.214;.0085,-.9,4.6406;1.0443,-.7732,4.2592;-.6232,-.1946,4.0658;-.449,-2.3346,4.375;-1.5194,-2.4201,4.6366;.0746,-3.0098,5.0748;-.2326,-2.823,2.9397;-.5296,-3.8875,2.8771;.8487,-2.7931,2.6985;-1.0028,-2.0326,1.881;-2.0833,-2.0162,2.1144;-.6612,-.9837,1.8289;-.8793,-2.4749,.8751;-1.0669,-2.7162,7.7648;-1.3928,-.5813,6.7788;-2.1926,.0598,6.3938;-3.1444,-1.8181,7.6934;.0208,1.3945,11.5073;-.6971,2.1208,11.0904;1.0422,1.725,11.2377;-.0637,1.4276,12.6093;-.2681,-.0031,10.9622;.411,-.7349,11.4404;-1.2961,-.2927,11.24;-.1317,-.1241,9.4414;-.2445,-1.1868,9.1589;.8846,.1751,9.1182;-1.1618,.7342,8.6919;-2.2618,.9916,9.1789;-.7188,1.4314,7.9379;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605220866662</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000929458234 0.000181719240 0.029014321711 0.008680552128</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.009393995 -0.000096719 0.000031944 0.000183461 0.000383159 0.000546513 0.001264720 0.001714040 0.001872138 0.003051465 0.003610032 0.003626325 0.004265400 0.004581944 0.005535900 0.005725492 0.006852270 0.007181480 0.008271549 0.010390168 0.011981269 0.013320642 0.017119418 0.018834085 0.021449591 0.024703790 0.027305155 0.030238833 0.032810103 0.032961126 0.034253935 0.036484005 0.040296370 0.040832297 0.042912681 0.044538518 0.046556579 0.047608529 0.051596412 0.052235954 0.053706735 0.057442116 0.059345743 0.060896374 0.067293664 0.068116211 0.071088032 0.072730623 0.077025200 0.077540568 0.079406918 0.079977665 0.081004491 0.082889163 0.087470394 0.092025883 0.098448899 0.099001638 0.100437277 0.105801255 0.107205987 0.109437238 0.113307268 0.115701024 0.124460603 0.129911759 0.135372231 0.137901008 0.139689681 0.146742255 0.150802085 0.160974172 0.168804152 0.171790505 0.176532368 0.181784800 0.188458870 0.195881227 0.198127372 0.208660949 0.215939964 0.223841708 0.235048767 0.253926897 0.264253798 0.292453574 0.311216708 0.342475633 0.407731508 0.417311421 0.431126640 0.475576230 0.535536710 0.545070156 0.586980522 0.612014607 0.662174292 0.683471888 0.737364439 0.750520896 0.755718616 0.768375499 0.770083548 0.778139730 0.785191031 0.798544276 0.805178396 0.810758460 0.814745374 0.822059890 0.827223701 0.846766923 0.849127521 0.857818314 0.864343055 0.892715072 0.901131938 0.905497802 0.909678826 0.919321674 0.924612097 0.934172744 0.971290407 0.979078356 1.453180530 1.541418074</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="-3.97674535" y3="-1.48673092" z3="10.54577895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53216719" y3="-0.5873523" z3="10.08243387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80029535" y3="-1.43613622" z3="11.63677153">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07173567" y3="-1.46475486" z3="10.3795549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35675509" y3="-2.74815839" z3="9.95254084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75404984" y3="-3.6535173" z3="10.4553818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26496865" y3="-2.74456661" z3="10.11443473">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60285638" y3="-2.90443357" z3="8.45204717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.69068486" y3="-2.97017249" z3="8.25887284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.12110248" y3="-3.83317671" z3="8.09853535">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80264704" y3="-1.77497674" z3="7.39482509">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0518932" y3="-0.49819811" z3="6.1273012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64057798" y3="-1.15396284" z3="6.68882609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35662733" y3="0.53346046" z3="6.2097293">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00261772" y3="-0.89665915" z3="4.64017487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.03880686" y3="-0.7657335" z3="4.26072766">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.63168464" y3="-0.19603395" z3="4.06189994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44764462" y3="-2.33432549" z3="4.37731683">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51890417" y3="-2.42367858" z3="4.63426872">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07582296" y3="-3.00482266" z3="5.08194504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22143985" y3="-2.82541603" z3="2.94432034">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51448287" y3="-3.89020487" z3="2.88138305">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86098572" y3="-2.79222469" z3="2.70963148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.9869375" y3="-2.03961292" z3="1.87997201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06964681" y3="-2.03017789" z3="2.10270202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65194851" y3="-0.98947886" z3="1.8332641">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85030081" y3="-2.47982835" z3="0.87551796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0795405" y3="-2.71434788" z3="7.7564694">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40489409" y3="-0.57784056" z3="6.77410261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20420453" y3="0.06691259" z3="6.39365462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15577349" y3="-1.81115198" z3="7.69481895">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03664656" y3="1.39334432" z3="11.5025711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67809911" y3="2.12646434" z3="11.09069805">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.0584482" y3="1.71862238" z3="11.22678056">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.04039479" y3="1.42554159" z3="12.60578581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26413787" y3="-0.00311977" z3="10.95965037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41474346" y3="-0.73789247" z3="11.4333806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29182339" y3="-0.28782654" z3="11.24493372">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14055611" y3="-0.12575631" z3="9.43915676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25964653" y3="-1.18880801" z3="9.15606434">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87439019" y3="0.16903161" z3="9.10840394">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17087342" y3="0.73801823" z3="8.69767544">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26954464" y3="0.99444157" z3="9.18585584">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72964938" y3="1.43462772" z3="7.94221306">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9767,-1.4867,10.5458;-3.5322,-.5874,10.0824;-3.8003,-1.4361,11.6368;-5.0717,-1.4648,10.3796;-3.3568,-2.7482,9.9525;-3.754,-3.6535,10.4554;-2.265,-2.7446,10.1144;-3.6029,-2.9044,8.452;-4.6907,-2.9702,8.2589;-3.1211,-3.8332,8.0985;-1.8026,-1.775,7.3948;-.0519,-.4982,6.1273;.6406,-1.154,6.6888;.3566,.5335,6.2097;.0026,-.8967,4.6402;1.0388,-.7657,4.2607;-.6317,-.196,4.0619;-.4476,-2.3343,4.3773;-1.5189,-2.4237,4.6343;.0758,-3.0048,5.0819;-.2214,-2.8254,2.9443;-.5145,-3.8902,2.8814;.861,-2.7922,2.7096;-.9869,-2.0396,1.88;-2.0696,-2.0302,2.1027;-.6519,-.9895,1.8333;-.8503,-2.4798,.8755;-1.0795,-2.7143,7.7565;-1.4049,-.5778,6.7741;-2.2042,.0669,6.3937;-3.1558,-1.8112,7.6948;.0366,1.3933,11.5026;-.6781,2.1265,11.0907;1.0584,1.7186,11.2268;-.0404,1.4255,12.6058;-.2641,-.0031,10.9597;.4147,-.7379,11.4334;-1.2918,-.2878,11.2449;-.1406,-.1258,9.4392;-.2596,-1.1888,9.1561;.8744,.169,9.1084;-1.1709,.738,8.6977;-2.2695,.9944,9.1859;-.7296,1.4346,7.9422;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605220212541</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000894354359 0.000236417351 0.026496477517 0.008713163181</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008891778 -0.000503125 0.000006607 0.000199449 0.000359800 0.000694891 0.001249868 0.001705239 0.001855977 0.002984940 0.003606633 0.003727691 0.004307046 0.004633100 0.005538224 0.005719942 0.006836436 0.007191101 0.008272329 0.010385438 0.011978697 0.013305499 0.017114907 0.018834175 0.021458495 0.024706598 0.027299676 0.030230921 0.032814480 0.032965187 0.034252888 0.036482567 0.040300435 0.040836762 0.042923098 0.044539614 0.046559007 0.047618099 0.051598268 0.052238913 0.053704997 0.057466204 0.059340911 0.060918526 0.067291044 0.068132411 0.071121447 0.072755784 0.077022701 0.077533597 0.079413304 0.079998811 0.081029264 0.082886509 0.087481378 0.092010689 0.098459737 0.099015315 0.100435522 0.105798552 0.107206723 0.109442752 0.113307862 0.115701225 0.124480936 0.129913593 0.135371969 0.137898099 0.139694860 0.146758769 0.150819269 0.160990044 0.168805219 0.171786231 0.176532613 0.181789065 0.188493447 0.195909208 0.198100059 0.208635786 0.215940993 0.223787704 0.235076221 0.253936650 0.264259855 0.292487085 0.311218290 0.342590830 0.407738869 0.417319399 0.431140683 0.475573730 0.535565660 0.545088138 0.587007600 0.612025424 0.662199432 0.683495345 0.737405615 0.750523379 0.755720799 0.768367370 0.770096808 0.778148578 0.785191455 0.798577720 0.805174525 0.810760521 0.814749285 0.822064250 0.827261213 0.846771966 0.849151292 0.857883676 0.864353124 0.892729331 0.901127334 0.905512921 0.909675323 0.919323414 0.924658713 0.934184385 0.971307314 0.979095541 1.453186153 1.541428860</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="-3.97819749" y3="-1.49742011" z3="10.55079702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53022502" y3="-0.59864682" z3="10.09116022">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80061245" y3="-1.45256102" z3="11.6412983">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07280995" y3="-1.4689284" z3="10.38634956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.3651828" y3="-2.7591417" z3="9.9514207">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76726933" y3="-3.66407043" z3="10.45039638">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27352649" y3="-2.76232665" z3="10.11230264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61317659" y3="-2.90822251" z3="8.45074399">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70152203" y3="-2.96948136" z3="8.25888282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13541367" y3="-3.83768606" z3="8.09374378">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.81002744" y3="-1.77980179" z3="7.39874048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05424913" y3="-0.50705399" z3="6.13441108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63008922" y3="-1.17047507" z3="6.69352321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35999716" y3="0.51988188" z3="6.22634008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0057112" y3="-0.8967301" z3="4.6459816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04380859" y3="-0.76717524" z3="4.27119847">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.6242842" y3="-0.19178506" z3="4.06877974">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44730407" y3="-2.33204829" z3="4.37646201">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51978098" y3="-2.41932541" z3="4.62907764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07163325" y3="-3.00620952" z3="5.0808402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21691906" y3="-2.81990137" z3="2.94322986">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51098479" y3="-3.88521468" z3="2.87746467">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86638071" y3="-2.78756856" z3="2.7125414">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.97867707" y3="-2.03067105" z3="1.87757433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06149078" y3="-2.01900794" z3="2.09926032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64071681" y3="-0.97999279" z3="1.83116564">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.84269793" y3="-2.47075168" z3="0.87208731">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0882547" y3="-2.71872382" z3="7.76537374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41053665" y3="-0.58512047" z3="6.77448316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20781204" y3="0.06008796" z3="6.39165665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16348211" y3="-1.81439406" z3="7.69615868">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.05268971" y3="1.40879574" z3="11.48840375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.66392167" y3="2.13883836" z3="11.07497968">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.07295172" y3="1.726938" z3="11.20222044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.01829825" y3="1.45203807" z3="12.59137146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25632739" y3="0.00887614" z3="10.96008">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42336187" y3="-0.7243173" z3="11.43472316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.28310724" y3="-0.27029554" z3="11.25423824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14345238" y3="-0.12486576" z3="9.43838739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.27088957" y3="-1.18771795" z3="9.16369318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87011042" y3="0.16227884" z3="9.09819958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17710214" y3="0.73689723" z3="8.7002249">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27521913" y3="0.98970733" z3="9.1919226">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74162428" y3="1.43268027" z3="7.94048277">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9782,-1.4974,10.5508;-3.5302,-.5986,10.0912;-3.8006,-1.4526,11.6413;-5.0728,-1.4689,10.3863;-3.3652,-2.7591,9.9514;-3.7673,-3.6641,10.4504;-2.2735,-2.7623,10.1123;-3.6132,-2.9082,8.4507;-4.7015,-2.9695,8.2589;-3.1354,-3.8377,8.0937;-1.81,-1.7798,7.3987;-.0542,-.5071,6.1344;.6301,-1.1705,6.6935;.36,.5199,6.2263;.0057,-.8967,4.646;1.0438,-.7672,4.2712;-.6243,-.1918,4.0688;-.4473,-2.332,4.3765;-1.5198,-2.4193,4.6291;.0716,-3.0062,5.0808;-.2169,-2.8199,2.9432;-.511,-3.8852,2.8775;.8664,-2.7876,2.7125;-.9787,-2.0307,1.8776;-2.0615,-2.019,2.0993;-.6407,-.98,1.8312;-.8427,-2.4708,.8721;-1.0883,-2.7187,7.7654;-1.4105,-.5851,6.7745;-2.2078,.0601,6.3917;-3.1635,-1.8144,7.6962;.0527,1.4088,11.4884;-.6639,2.1388,11.075;1.073,1.7269,11.2022;-.0183,1.452,12.5914;-.2563,.0089,10.9601;.4234,-.7243,11.4347;-1.2831,-.2703,11.2542;-.1435,-.1249,9.4384;-.2709,-1.1877,9.1637;.8701,.1623,9.0982;-1.1771,.7369,8.7002;-2.2752,.9897,9.1919;-.7416,1.4327,7.9405;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605217255868</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001547680853 0.000341491765 0.029787431442 0.008685281155</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008418410 -0.000477180 0.000035620 0.000128362 0.000304260 0.000468465 0.001156842 0.001508617 0.001783562 0.002608266 0.003489152 0.003691852 0.004323809 0.004689921 0.005446691 0.005718707 0.006910946 0.007199720 0.008305243 0.010369412 0.011982667 0.013324238 0.017087898 0.018879529 0.021492669 0.024708197 0.027309759 0.030224123 0.032808748 0.032992028 0.034252001 0.036480688 0.040403659 0.040841847 0.042909066 0.044524526 0.046560005 0.047624832 0.051595276 0.052237153 0.053694428 0.057487528 0.059334521 0.060970680 0.067291600 0.068123649 0.071120786 0.072787144 0.077000989 0.077529357 0.079432748 0.079970060 0.081075703 0.082891376 0.087452360 0.091977054 0.098514622 0.099066518 0.100443965 0.105794770 0.107219557 0.109444752 0.113308031 0.115700594 0.124482121 0.129919834 0.135370605 0.137900601 0.139730931 0.146807499 0.150798215 0.161096990 0.168805056 0.171779157 0.176519577 0.181894830 0.188540274 0.195925733 0.198083551 0.208674141 0.215939274 0.223829169 0.235184946 0.253972044 0.264282890 0.292673231 0.311225444 0.342804144 0.407741275 0.417322364 0.431124968 0.475572000 0.535651255 0.545106554 0.587063872 0.612053799 0.662267406 0.683532973 0.737482384 0.750527347 0.755719624 0.768424996 0.770134477 0.778154949 0.785195904 0.798600955 0.805173173 0.810931001 0.814759349 0.822070566 0.827651655 0.846771257 0.849195996 0.858002260 0.864385244 0.892734194 0.901124089 0.905591736 0.909691544 0.919325725 0.924724983 0.934191271 0.971404449 0.979151842 1.453242076 1.541451813</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="-3.99660537" y3="-1.50766348" z3="10.54227482">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54760488" y3="-0.60680061" z3="10.08661823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82499353" y3="-1.46423351" z3="11.63414016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.09068525" y3="-1.48144754" z3="10.37148259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.37773692" y3="-2.76718222" z3="9.94424916">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.78097567" y3="-3.67417109" z3="10.43926479">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28693515" y3="-2.76852674" z3="10.11149492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.6164752" y3="-2.91358679" z3="8.44175164">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.703451" y3="-2.97733439" z3="8.24304939">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1340496" y3="-3.84097077" z3="8.08561184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80982709" y3="-1.78024652" z3="7.39925961">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0530134" y3="-0.50522844" z3="6.13884403">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63489577" y3="-1.16380054" z3="6.70386676">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.35659206" y3="0.52653909" z3="6.22684915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01071925" y3="-0.89910907" z3="4.65055977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04945017" y3="-0.77033846" z3="4.27831828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.6174028" y3="-0.19458602" z3="4.07096117">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44234485" y3="-2.33399592" z3="4.38072259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51375711" y3="-2.42104962" z3="4.63668761">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07854816" y3="-3.0087315" z3="5.08257095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21662113" y3="-2.81903878" z3="2.94578445">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50849402" y3="-3.88412798" z3="2.87867644">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86573216" y3="-2.78326927" z3="2.71011106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98515986" y3="-2.02928585" z3="1.88610514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06757992" y3="-2.0211842" z3="2.11172">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65065886" y3="-0.9786265" z3="1.84283562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85098845" y3="-2.4654483" z3="0.87968951">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08787846" y3="-2.71820018" z3="7.76826109">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41069472" y3="-0.58655933" z3="6.77491914">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20785605" y3="0.05906236" z3="6.39167161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16497519" y3="-1.81683811" z3="7.69267221">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.07332295" y3="1.41909154" z3="11.4815632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.64262005" y3="2.15133943" z3="11.07044785">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.09357749" y3="1.73518438" z3="11.18748764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.01148918" y3="1.46621681" z3="12.58524742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.24252274" y3="0.01727965" z3="10.96093632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.44035935" y3="-0.7151356" z3="11.43249601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.26744967" y3="-0.25892384" z3="11.26512188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14400866" y3="-0.12303176" z3="9.44073822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.274721" y3="-1.18827783" z3="9.16950376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86678834" y3="0.16129125" z3="9.08899474">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18149627" y3="0.7388403" z3="8.70923887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27943096" y3="0.98602891" z3="9.20164436">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.75082283" y3="1.43546436" z3="7.94792886">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9966,-1.5077,10.5423;-3.5476,-.6068,10.0866;-3.825,-1.4642,11.6341;-5.0907,-1.4814,10.3715;-3.3777,-2.7672,9.9442;-3.781,-3.6742,10.4393;-2.2869,-2.7685,10.1115;-3.6165,-2.9136,8.4418;-4.7035,-2.9773,8.243;-3.134,-3.841,8.0856;-1.8098,-1.7802,7.3993;-.053,-.5052,6.1388;.6349,-1.1638,6.7039;.3566,.5265,6.2268;.0107,-.8991,4.6506;1.0495,-.7703,4.2783;-.6174,-.1946,4.071;-.4423,-2.334,4.3807;-1.5138,-2.421,4.6367;.0785,-3.0087,5.0826;-.2166,-2.819,2.9458;-.5085,-3.8841,2.8787;.8657,-2.7833,2.7101;-.9852,-2.0293,1.8861;-2.0676,-2.0212,2.1117;-.6507,-.9786,1.8428;-.851,-2.4654,.8797;-1.0879,-2.7182,7.7683;-1.4107,-.5866,6.7749;-2.2079,.0591,6.3917;-3.165,-1.8168,7.6927;.0733,1.4191,11.4816;-.6426,2.1513,11.0704;1.0936,1.7352,11.1875;.0115,1.4662,12.5852;-.2425,.0173,10.9609;.4404,-.7151,11.4325;-1.2674,-.2589,11.2651;-.144,-.123,9.4407;-.2747,-1.1883,9.1695;.8668,.1613,9.089;-1.1815,.7388,8.7092;-2.2794,.986,9.2016;-.7508,1.4355,7.9479;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605211697125</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.001466735688 0.000386357053 0.032226862717 0.008690270543</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008418832 -0.000238951 0.000035491 0.000143554 0.000422107 0.000470371 0.001158900 0.001535163 0.001781590 0.002611638 0.003488468 0.003688664 0.004340691 0.004706127 0.005446664 0.005771712 0.006935156 0.007217715 0.008332126 0.010381057 0.011985239 0.013350192 0.017093633 0.018900427 0.021519893 0.024708509 0.027323069 0.030225707 0.032810761 0.033009157 0.034252233 0.036481040 0.040464116 0.040843810 0.042919510 0.044528454 0.046560546 0.047633443 0.051598925 0.052237746 0.053695056 0.057497082 0.059334796 0.060991081 0.067291223 0.068126080 0.071123666 0.072813235 0.077001694 0.077531443 0.079452669 0.079977853 0.081117651 0.082897075 0.087472138 0.091983694 0.098531944 0.099075741 0.100446920 0.105796336 0.107223414 0.109449864 0.113308750 0.115700811 0.124483787 0.129922200 0.135370786 0.137918120 0.139751849 0.146832456 0.150808967 0.161200227 0.168811307 0.171779598 0.176537498 0.181907964 0.188599800 0.195925953 0.198086418 0.208691879 0.215953733 0.223853807 0.235190955 0.253988796 0.264289333 0.292741273 0.311226894 0.342892035 0.407745663 0.417354160 0.431134491 0.475575431 0.535720880 0.545131782 0.587180405 0.612080046 0.662384008 0.683542434 0.737567528 0.750529380 0.755719549 0.768508127 0.770162711 0.778160971 0.785207225 0.798607622 0.805174282 0.811142193 0.814766027 0.822074335 0.827809246 0.846771285 0.849255315 0.858032184 0.864409572 0.892760002 0.901134289 0.905618962 0.909726985 0.919326101 0.924887236 0.934196390 0.971453903 0.979170061 1.453296868 1.541452588</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="-3.99344498" y3="-1.51336796" z3="10.53678671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53777626" y3="-0.61420754" z3="10.08544608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82454711" y3="-1.4747812" z3="11.62889361">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08617832" y3="-1.47849499" z3="10.36348055">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.38244679" y3="-2.77507772" z3="9.93589685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7920295" y3="-3.68044308" z3="10.42801149">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.29218211" y3="-2.78387932" z3="10.10419934">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.62129292" y3="-2.91617886" z3="8.43285755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.70833751" y3="-2.97735858" z3="8.23411102">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.14067166" y3="-3.84323769" z3="8.07364728">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.81286049" y3="-1.78114131" z3="7.39610259">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05254586" y3="-0.50475086" z3="6.14291376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6302517" y3="-1.16784694" z3="6.70456527">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36046538" y3="0.52259561" z3="6.23668531">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01293515" y3="-0.89464245" z3="4.65457611">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05154922" y3="-0.76103454" z3="4.2821113">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61890123" y3="-0.19222888" z3="4.07560198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.43407596" y3="-2.33222219" z3="4.38449304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.50438034" y3="-2.42616759" z3="4.64463636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.09378635" y3="-3.00526259" z3="5.08391491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21230026" y3="-2.81512881" z3="2.94818246">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.4978791" y3="-3.88235334" z3="2.88263944">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86836788" y3="-2.77299606" z3="2.70705119">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99095122" y3="-2.03048059" z3="1.89190449">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07210034" y3="-2.03073468" z3="2.12236188">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66471453" y3="-0.97660323" z3="1.84679311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85813975" y3="-2.46560682" z3="0.88428077">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.09243062" y3="-2.72105703" z3="7.76248537">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.41140778" y3="-0.5845643" z3="6.77723994">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20733475" y3="0.06133407" z3="6.3924487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16800396" y3="-1.81773968" z3="7.68695324">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.08953503" y3="1.43009267" z3="11.47258854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.62849396" y3="2.16196393" z3="11.06463471">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.10624478" y3="1.73614416" z3="11.16082395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.04371604" y3="1.48823511" z3="12.57635364">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.24263745" y3="0.02645009" z3="10.96810685">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.43718413" y3="-0.70735656" z3="11.44215763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.26707288" y3="-0.23799269" z3="11.28201764">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.15513767" y3="-0.12960929" z3="9.4465869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.30174821" y3="-1.19473794" z3="9.18779673">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.85741528" y3="0.13787529" z3="9.086487">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18774088" y3="0.73558039" z3="8.71306012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.28666921" y3="0.983722" z3="9.20436145">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.75337911" y3="1.4346793" z3="7.956126">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9934,-1.5134,10.5368;-3.5378,-.6142,10.0854;-3.8245,-1.4748,11.6289;-5.0862,-1.4785,10.3635;-3.3824,-2.7751,9.9359;-3.792,-3.6804,10.428;-2.2922,-2.7839,10.1042;-3.6213,-2.9162,8.4329;-4.7083,-2.9774,8.2341;-3.1407,-3.8432,8.0736;-1.8129,-1.7811,7.3961;-.0525,-.5048,6.1429;.6303,-1.1678,6.7046;.3605,.5226,6.2367;.0129,-.8946,4.6546;1.0515,-.761,4.2821;-.6189,-.1922,4.0756;-.4341,-2.3322,4.3845;-1.5044,-2.4262,4.6446;.0938,-3.0053,5.0839;-.2123,-2.8151,2.9482;-.4979,-3.8824,2.8826;.8684,-2.773,2.7071;-.991,-2.0305,1.8919;-2.0721,-2.0307,2.1224;-.6647,-.9766,1.8468;-.8581,-2.4656,.8843;-1.0924,-2.7211,7.7625;-1.4114,-.5846,6.7772;-2.2073,.0613,6.3924;-3.168,-1.8177,7.687;.0895,1.4301,11.4726;-.6285,2.162,11.0646;1.1062,1.7361,11.1608;.0437,1.4882,12.5764;-.2426,.0265,10.9681;.4372,-.7074,11.4422;-1.2671,-.238,11.282;-.1551,-.1296,9.4466;-.3017,-1.1947,9.1878;.8574,.1379,9.0865;-1.1877,.7356,8.7131;-2.2867,.9837,9.2044;-.7534,1.4347,7.9561;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605211907285</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000875646864 0.000262878054 0.035851607774 0.009042213805</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008435671 -0.000133898 0.000067302 0.000167099 0.000360380 0.000469438 0.001151851 0.001553164 0.001781471 0.002616524 0.003494428 0.003695040 0.004340679 0.004704083 0.005447027 0.005805687 0.006959532 0.007245619 0.008347180 0.010421836 0.011984835 0.013361041 0.017098349 0.018918998 0.021545561 0.024708986 0.027332652 0.030225950 0.032813071 0.033016396 0.034253376 0.036481098 0.040503030 0.040846733 0.042938692 0.044536566 0.046560648 0.047634943 0.051605332 0.052238321 0.053696181 0.057499630 0.059335668 0.061011510 0.067291848 0.068127351 0.071124500 0.072821645 0.077004221 0.077532142 0.079464013 0.079986453 0.081130512 0.082903695 0.087488781 0.091998879 0.098537632 0.099079453 0.100447172 0.105798882 0.107225124 0.109454043 0.113308800 0.115701950 0.124504306 0.129926255 0.135370958 0.137927729 0.139759765 0.146844858 0.150820923 0.161240005 0.168815622 0.171779477 0.176545785 0.181924108 0.188690485 0.195926485 0.198092473 0.208707956 0.215954880 0.223849299 0.235191932 0.254028260 0.264340198 0.292777712 0.311228412 0.342948163 0.407781753 0.417413978 0.431135892 0.475580059 0.535802819 0.545160670 0.587292024 0.612095499 0.662459248 0.683549692 0.737609980 0.750531885 0.755723138 0.768547966 0.770173888 0.778179805 0.785209737 0.798614172 0.805176904 0.811146995 0.814767834 0.822074324 0.827811757 0.846778639 0.849261488 0.858038907 0.864458276 0.892765004 0.901164340 0.905624916 0.909731239 0.919327166 0.924932240 0.934211532 0.971519497 0.979181383 1.453334179 1.541461950</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="-3.98475175" y3="-1.50335766" z3="10.54351954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53386087" y3="-0.6043775" z3="10.08654977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8109055" y3="-1.46005587" z3="11.63480569">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07870773" y3="-1.47308185" z3="10.37505645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.37177018" y3="-2.76528971" z3="9.94482391">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.77676325" y3="-3.67034334" z3="10.44145518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.28073383" y3="-2.77019686" z3="10.10937234">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.61507963" y3="-2.91213247" z3="8.44313763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.7026752" y3="-2.97392461" z3="8.24774091">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13546179" y3="-3.84049792" z3="8.08595541">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80954665" y3="-1.78095499" z3="7.3973919">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.05203944" y3="-0.50626856" z3="6.13807303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.63319313" y3="-1.16820473" z3="6.69956699">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36066898" y3="0.52230904" z3="6.22893387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00986789" y3="-0.89741357" z3="4.64961773">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04831801" y3="-0.7674384" z3="4.27612608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61975189" y3="-0.19285548" z3="4.07127466">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44223296" y3="-2.33299451" z3="4.37937062">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51371147" y3="-2.42186142" z3="4.63550957">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07985037" y3="-3.00755963" z3="5.08109148">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.21655269" y3="-2.81794197" z3="2.94435582">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.50749089" y3="-3.88354437" z3="2.87788316">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.86550001" y3="-2.78162764" z3="2.70843425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98575179" y3="-2.02956675" z3="1.88405607">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.06792723" y3="-2.0230901" z3="2.10950122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65284317" y3="-0.97797749" z3="1.83980776">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8509674" y3="-2.46618573" z3="0.87748806">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08837733" y3="-2.72044214" z3="7.76318667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40909804" y3="-0.58513776" z3="6.77628821">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.20599286" y3="0.06023888" z3="6.39238796">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.16384671" y3="-1.81650922" z3="7.69200884">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.0665155" y3="1.41839818" z3="11.48202927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.65092464" y3="2.14935037" z3="11.07143915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.08510501" y3="1.73267964" z3="11.18425111">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="0.00786443" y3="1.46778324" z3="12.58538385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25162194" y3="0.01653189" z3="10.96421503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42856514" y3="-0.71622663" z3="11.43905311">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.27709274" y3="-0.25657662" z3="11.26719342">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14964973" y3="-0.1279643" z3="9.44347726">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.28495048" y3="-1.19251194" z3="9.17612485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86373556" y3="0.15022795" z3="9.09470491">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.18149894" y3="0.73569246" z3="8.70584189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.28032711" y3="0.98757713" z3="9.19556661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.74463996" y3="1.43271027" z3="7.94832163">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9848,-1.5034,10.5435;-3.5339,-.6044,10.0865;-3.8109,-1.4601,11.6348;-5.0787,-1.4731,10.3751;-3.3718,-2.7653,9.9448;-3.7768,-3.6703,10.4415;-2.2807,-2.7702,10.1094;-3.6151,-2.9121,8.4431;-4.7027,-2.9739,8.2477;-3.1355,-3.8405,8.086;-1.8095,-1.781,7.3974;-.052,-.5063,6.1381;.6332,-1.1682,6.6996;.3607,.5223,6.2289;.0099,-.8974,4.6496;1.0483,-.7674,4.2761;-.6198,-.1929,4.0713;-.4422,-2.333,4.3794;-1.5137,-2.4219,4.6355;.0799,-3.0076,5.0811;-.2166,-2.8179,2.9444;-.5075,-3.8835,2.8779;.8655,-2.7816,2.7084;-.9858,-2.0296,1.8841;-2.0679,-2.0231,2.1095;-.6528,-.978,1.8398;-.851,-2.4662,.8775;-1.0884,-2.7204,7.7632;-1.4091,-.5851,6.7763;-2.206,.0602,6.3924;-3.1638,-1.8165,7.692;.0665,1.4184,11.482;-.6509,2.1494,11.0714;1.0851,1.7327,11.1843;.0079,1.4678,12.5854;-.2516,.0165,10.9642;.4286,-.7162,11.4391;-1.2771,-.2566,11.2672;-.1496,-.128,9.4435;-.285,-1.1925,9.1761;.8637,.1502,9.0947;-1.1815,.7357,8.7058;-2.2803,.9876,9.1956;-.7446,1.4327,7.9483;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605221396524</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000188678302 0.000056847126 0.034077194848 0.010327174316</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002385011923 0.001590007949</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.008401895 -0.000191454 0.000050614 0.000205722 0.000309893 0.000468749 0.001147068 0.001524819 0.001781883 0.002596908 0.003466473 0.003698093 0.004330903 0.004698568 0.005404521 0.005811262 0.006973969 0.007264526 0.008358294 0.010448256 0.011982343 0.013369859 0.017099521 0.018931298 0.021563573 0.024708551 0.027338119 0.030224671 0.032810762 0.033018114 0.034254060 0.036480236 0.040523451 0.040848066 0.042950857 0.044535862 0.046559537 0.047632551 0.051606767 0.052237794 0.053693389 0.057503821 0.059335405 0.061031288 0.067291819 0.068123034 0.071125714 0.072823921 0.077003651 0.077532389 0.079472084 0.079980967 0.081137015 0.082908037 0.087490373 0.092002059 0.098544836 0.099090603 0.100447867 0.105797861 0.107222973 0.109456936 0.113308895 0.115702270 0.124511415 0.129929421 0.135370679 0.137932320 0.139766259 0.146856482 0.150831053 0.161261388 0.168817720 0.171781481 0.176556018 0.181968291 0.188738866 0.195926961 0.198099601 0.208720336 0.215950018 0.223845833 0.235206667 0.254050617 0.264366352 0.292806034 0.311229805 0.342998810 0.407790152 0.417440941 0.431135352 0.475582703 0.535841208 0.545174592 0.587341994 0.612105469 0.662494774 0.683548567 0.737632719 0.750533484 0.755723844 0.768563301 0.770182374 0.778188438 0.785211713 0.798617835 0.805179739 0.811181936 0.814771236 0.822075186 0.827819351 0.846780108 0.849267403 0.858058518 0.864481148 0.892767699 0.901171545 0.905633122 0.909725214 0.919327043 0.924943505 0.934217282 0.971554719 0.979188630 1.453350241 1.541466875</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="-3.99206454" y3="-1.49268334" z3="10.53672161">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54482177" y3="-0.59381522" z3="10.07608681">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82442879" y3="-1.44045208" z3="11.62867497">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.08531774" y3="-1.47198235" z3="10.36208913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36618732" y3="-2.75391219" z3="9.94990485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.76548537" y3="-3.65879843" z3="10.45166213">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2756307" y3="-2.74825024" z3="10.11887876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60207812" y3="-2.91341258" z3="8.44823799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68845749" y3="-2.98342181" z3="8.24827566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11472874" y3="-3.84100098" z3="8.09960106">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79931381" y3="-1.781018" z3="7.39923887">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04561774" y3="-0.50693673" z3="6.13483973">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64022873" y3="-1.16892487" z3="6.69443799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36794409" y3="0.52073013" z3="6.22431519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01163775" y3="-0.8994583" z3="4.64679196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0495014" y3="-0.77299719" z3="4.27029503">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.6176338" y3="-0.19375759" z3="4.06929742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.4457734" y3="-2.33415988" z3="4.37945458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51681905" y3="-2.41964194" z3="4.6394485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07695643" y3="-3.00980242" z3="5.08007838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22693259" y3="-2.82092803" z3="2.94388007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52348317" y3="-3.88520036" z3="2.87900301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85462205" y3="-2.79023738" z3="2.70449238">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99557535" y3="-2.02907049" z3="1.88547671">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07730361" y3="-2.01710132" z3="2.11390307">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65784741" y3="-0.97889015" z3="1.83976273">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86566397" y3="-2.46679221" z3="0.87872276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.0757199" y3="-2.71763983" z3="7.76772778">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40128112" y3="-0.58520059" z3="6.77619553">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19974421" y3="0.05731605" z3="6.39082266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15378958" y3="-1.81989034" z3="7.69194064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.04644672" y3="1.40558493" z3="11.49559458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.6727013" y3="2.13411714" z3="11.08347125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06613109" y3="1.73116462" z3="11.21340426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.02621276" y3="1.44308388" z3="12.5989571">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.25395635" y3="0.00644726" z3="10.95956956">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.42821194" y3="-0.7255776" z3="11.43293812">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.2799561" y3="-0.2791432" z3="11.24976379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13608349" y3="-0.1205991" z3="9.43804122">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25579643" y3="-1.18422621" z3="9.15898739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87717576" y3="0.17435848" z3="9.10150007">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17215173" y3="0.73794037" z3="8.69915735">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27090586" y3="0.98865906" z3="9.19062375">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73775443" y3="1.43490834" z3="7.94010641">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9921,-1.4927,10.5367;-3.5448,-.5938,10.0761;-3.8244,-1.4405,11.6287;-5.0853,-1.472,10.3621;-3.3662,-2.7539,9.9499;-3.7655,-3.6588,10.4517;-2.2756,-2.7483,10.1189;-3.6021,-2.9134,8.4482;-4.6885,-2.9834,8.2483;-3.1147,-3.841,8.0996;-1.7993,-1.781,7.3992;-.0456,-.5069,6.1348;.6402,-1.1689,6.6944;.3679,.5207,6.2243;.0116,-.8995,4.6468;1.0495,-.773,4.2703;-.6176,-.1938,4.0693;-.4458,-2.3342,4.3795;-1.5168,-2.4196,4.6394;.077,-3.0098,5.0801;-.2269,-2.8209,2.9439;-.5235,-3.8852,2.879;.8546,-2.7902,2.7045;-.9956,-2.0291,1.8855;-2.0773,-2.0171,2.1139;-.6578,-.9789,1.8398;-.8657,-2.4668,.8787;-1.0757,-2.7176,7.7677;-1.4013,-.5852,6.7762;-2.1997,.0573,6.3908;-3.1538,-1.8199,7.6919;.0464,1.4056,11.4956;-.6727,2.1341,11.0835;1.0661,1.7312,11.2134;-.0262,1.4431,12.599;-.254,.0064,10.9596;.4282,-.7256,11.4329;-1.28,-.2791,11.2498;-.1361,-.1206,9.438;-.2558,-1.1842,9.159;.8772,.1744,9.1015;-1.1722,.7379,8.6992;-2.2709,.9887,9.1906;-.7378,1.4349,7.9401;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605219417101</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000792713913 0.000206809626 0.024873565219 0.008655733304</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008368316 -0.000031254 0.000044929 0.000111465 0.000441139 0.000465557 0.001075474 0.001527675 0.001778587 0.002545742 0.003458011 0.003700755 0.004294918 0.004686948 0.005317941 0.005768362 0.006964236 0.007276776 0.008360511 0.010460109 0.011979454 0.013339794 0.017099982 0.018932756 0.021575119 0.024708198 0.027341398 0.030223940 0.032809263 0.033019127 0.034254615 0.036479914 0.040522440 0.040848101 0.042948172 0.044539421 0.046558404 0.047622411 0.051609263 0.052238585 0.053685515 0.057507386 0.059335583 0.061027654 0.067290603 0.068131427 0.071114716 0.072826991 0.077005765 0.077531355 0.079471877 0.079948308 0.081139544 0.082907019 0.087481786 0.091999242 0.098544995 0.099077565 0.100444555 0.105786332 0.107218150 0.109457834 0.113308865 0.115701552 0.124501357 0.129931242 0.135370764 0.137931170 0.139764583 0.146861947 0.150814617 0.161279012 0.168815127 0.171777109 0.176542536 0.181989271 0.188747714 0.195922260 0.198087102 0.208717697 0.215929696 0.223821609 0.235208364 0.254050117 0.264386961 0.292830297 0.311230350 0.343014241 0.407775901 0.417450511 0.431135310 0.475586372 0.535851245 0.545188519 0.587374432 0.612105617 0.662519134 0.683551964 0.737666353 0.750535686 0.755724795 0.768556666 0.770190730 0.778189823 0.785212551 0.798617144 0.805182074 0.811051855 0.814768892 0.822075979 0.827875425 0.846780209 0.849270047 0.858054548 0.864496503 0.892767315 0.901172681 0.905631396 0.909701601 0.919328409 0.924943413 0.934216054 0.971572245 0.979199739 1.453374474 1.541480921</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="-3.98975868" y3="-1.48622785" z3="10.53149043">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.54056541" y3="-0.5897827" z3="10.06749285">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.82556708" y3="-1.42843048" z3="11.623762">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.0827169" y3="-1.46598849" z3="10.35316462">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.3625606" y3="-2.75097057" z3="9.95346927">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7634371" y3="-3.65286555" z3="10.45919964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.27243567" y3="-2.74473103" z3="10.12529367">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59448372" y3="-2.91857475" z3="8.45224051">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68017258" y3="-2.99057484" z3="8.25015619">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10538618" y3="-3.84737567" z3="8.10952979">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79012203" y3="-1.79015827" z3="7.40188154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0348893" y3="-0.51880023" z3="6.13674196">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.65054327" y3="-1.18335566" z3="6.6966425">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.38057195" y3="0.50981658" z3="6.22768659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.02140998" y3="-0.90648902" z3="4.64678899">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.06008084" y3="-0.78407587" z3="4.27181755">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.60305112" y3="-0.19450706" z3="4.07219525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44383413" y3="-2.33659019" z3="4.37212365">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51387213" y3="-2.41777001" z3="4.63596661">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07799273" y3="-3.01922551" z3="5.06589576">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23397521" y3="-2.81503353" z3="2.93257431">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.53114088" y3="-3.87869504" z3="2.86335406">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84591992" y3="-2.78306828" z3="2.68624251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.0097042" y3="-2.01718419" z3="1.88409557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08879147" y3="-2.00381182" z3="2.12290992">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66954939" y3="-0.9680187" z3="1.83934709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.89053753" y3="-2.45095438" z3="0.87408513">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06725641" y3="-2.72565262" z3="7.77437942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39120666" y3="-0.59609726" z3="6.77667741">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.18915867" y3="0.04587547" z3="6.3891282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.1454383" y3="-1.82874249" z3="7.69171184">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03292707" y3="1.41374828" z3="11.49500458">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.68768289" y3="2.13909261" z3="11.08024377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.05139893" y3="1.74123037" z3="11.21029533">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.03807401" y3="1.45666824" z3="12.59767609">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26377015" y3="0.01120883" z3="10.96674977">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.4177422" y3="-0.71678928" z3="11.44704401">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29010617" y3="-0.27370873" z3="11.25534709">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13989106" y3="-0.12564637" z3="9.44742757">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.2626207" y3="-1.18996744" z3="9.17393825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87602968" y3="0.16213604" z3="9.11419276">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16745914" y3="0.73374486" z3="8.69821044">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26847606" y3="0.99093627" z3="9.18004433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72528678" y3="1.42479366" z3="7.938154">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9898,-1.4862,10.5315;-3.5406,-.5898,10.0675;-3.8256,-1.4284,11.6238;-5.0827,-1.466,10.3532;-3.3626,-2.751,9.9535;-3.7634,-3.6529,10.4592;-2.2724,-2.7447,10.1253;-3.5945,-2.9186,8.4522;-4.6802,-2.9906,8.2502;-3.1054,-3.8474,8.1095;-1.7901,-1.7902,7.4019;-.0349,-.5188,6.1367;.6505,-1.1834,6.6966;.3806,.5098,6.2277;.0214,-.9065,4.6468;1.0601,-.7841,4.2718;-.6031,-.1945,4.0722;-.4438,-2.3366,4.3721;-1.5139,-2.4178,4.636;.078,-3.0192,5.0659;-.234,-2.815,2.9326;-.5311,-3.8787,2.8634;.8459,-2.7831,2.6862;-1.0097,-2.0172,1.8841;-2.0888,-2.0038,2.1229;-.6695,-.968,1.8393;-.8905,-2.451,.8741;-1.0673,-2.7257,7.7744;-1.3912,-.5961,6.7767;-2.1892,.0459,6.3891;-3.1454,-1.8287,7.6917;.0329,1.4137,11.495;-.6877,2.1391,11.0802;1.0514,1.7412,11.2103;-.0381,1.4567,12.5977;-.2638,.0112,10.9667;.4177,-.7168,11.447;-1.2901,-.2737,11.2553;-.1399,-.1256,9.4474;-.2626,-1.19,9.1739;.876,.1621,9.1142;-1.1675,.7337,8.6982;-2.2685,.9909,9.18;-.7253,1.4248,7.9382;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605217571678</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000657489670 0.000176291958 0.028973879914 0.008688591997</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008393126 -0.000202480 0.000044359 0.000224377 0.000389103 0.000448402 0.001063417 0.001552902 0.001778964 0.002540639 0.003453303 0.003719710 0.004300592 0.004686999 0.005304184 0.005763019 0.006976684 0.007302151 0.008365555 0.010497315 0.011979819 0.013338018 0.017101719 0.018944930 0.021617620 0.024708155 0.027344787 0.030224100 0.032801400 0.033020669 0.034255403 0.036480909 0.040523853 0.040847878 0.042951919 0.044546591 0.046559420 0.047618972 0.051612944 0.052240759 0.053683360 0.057506847 0.059336885 0.061049762 0.067290915 0.068137170 0.071114390 0.072829873 0.077013098 0.077531143 0.079471627 0.079939939 0.081139737 0.082908449 0.087476510 0.092004082 0.098549521 0.099080457 0.100445313 0.105785184 0.107218511 0.109460801 0.113310223 0.115701928 0.124502267 0.129933984 0.135371123 0.137934807 0.139784664 0.146863221 0.150824126 0.161306471 0.168815721 0.171784328 0.176546665 0.181995531 0.188790878 0.195926058 0.198110262 0.208715977 0.215931777 0.223829435 0.235215487 0.254049845 0.264423280 0.292860343 0.311230519 0.343028083 0.407792289 0.417489485 0.431141311 0.475605414 0.535859338 0.545217966 0.587435180 0.612112848 0.662557966 0.683554299 0.737719371 0.750541755 0.755728319 0.768561374 0.770196338 0.778190926 0.785215840 0.798615843 0.805191512 0.811072961 0.814769368 0.822075929 0.827912988 0.846781159 0.849270131 0.858084220 0.864518998 0.892769151 0.901177302 0.905632506 0.909704142 0.919330021 0.924942755 0.934217740 0.971582978 0.979200644 1.453397556 1.541484898</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="-3.97703759" y3="-1.48653958" z3="10.54430105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52886381" y3="-0.59105691" z3="10.07788331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80568434" y3="-1.42950053" z3="11.6353799">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07083531" y3="-1.46281351" z3="10.37314262">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35715085" y3="-2.75287156" z3="9.96191253">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75805294" y3="-3.65385391" z3="10.46956542">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26602118" y3="-2.75030386" z3="10.12767125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59816224" y3="-2.91957279" z3="8.46187565">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68539333" y3="-2.98776194" z3="8.2659869">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.1146659" y3="-3.85064434" z3="8.11704329">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79503195" y3="-1.79574111" z3="7.40355003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.03859539" y3="-0.52867973" z3="6.13700819">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64078948" y3="-1.19983988" z3="6.69328426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.38245871" y3="0.49520578" z3="6.23508918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.0190904" y3="-0.91001042" z3="4.64600742">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.05933388" y3="-0.79190625" z3="4.27365271">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.60049316" y3="-0.19297634" z3="4.07205185">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45325549" y3="-2.33740051" z3="4.36588575">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52591899" y3="-2.41281024" z3="4.62179426">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.05946076" y3="-3.02406769" z3="5.06327398">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.23497226" y3="-2.81465188" z3="2.92706105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.54352615" y3="-3.87468848" z3="2.85156222">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.84752854" y3="-2.79408083" z3="2.6916817">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99050519" y3="-2.0046249" z3="1.87336239">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07275177" y3="-1.98207392" z3="2.0977104">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64057551" y3="-0.95830886" z3="1.83874854">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8617217" y3="-2.43452064" z3="0.86357954">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07250286" y3="-2.73165008" z3="7.77575913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39593343" y3="-0.60366933" z3="6.77479574">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19320076" y3="0.03877426" z3="6.38670029">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14964904" y3="-1.83153158" z3="7.69801825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.02854656" y3="1.41909466" z3="11.49038771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.6907269" y3="2.14307954" z3="11.07060456">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.04793705" y3="1.74450305" z3="11.20790693">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.0461933" y3="1.46575747" z3="12.59286589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26834955" y3="0.01497452" z3="10.96568028">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41317276" y3="-0.71183873" z3="11.44775012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29437982" y3="-0.26961454" z3="11.25543187">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14498293" y3="-0.12479675" z3="9.44586729">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.26798604" y3="-1.18972303" z3="9.1737">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87104334" y3="0.16336416" z3="9.1124724">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.17199489" y3="0.73393588" z3="8.69517733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27250097" y3="0.99375095" z3="9.17717669">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7301077" y3="1.42107167" z3="7.93201297">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.977,-1.4865,10.5443;-3.5289,-.5911,10.0779;-3.8057,-1.4295,11.6354;-5.0708,-1.4628,10.3731;-3.3572,-2.7529,9.9619;-3.7581,-3.6539,10.4696;-2.266,-2.7503,10.1277;-3.5982,-2.9196,8.4619;-4.6854,-2.9878,8.266;-3.1147,-3.8506,8.117;-1.795,-1.7957,7.4036;-.0386,-.5287,6.137;.6408,-1.1998,6.6933;.3825,.4952,6.2351;.0191,-.91,4.646;1.0593,-.7919,4.2737;-.6005,-.193,4.0721;-.4533,-2.3374,4.3659;-1.5259,-2.4128,4.6218;.0595,-3.0241,5.0633;-.235,-2.8147,2.9271;-.5435,-3.8747,2.8516;.8475,-2.7941,2.6917;-.9905,-2.0046,1.8734;-2.0728,-1.9821,2.0977;-.6406,-.9583,1.8387;-.8617,-2.4345,.8636;-1.0725,-2.7317,7.7758;-1.3959,-.6037,6.7748;-2.1932,.0388,6.3867;-3.1496,-1.8315,7.698;.0285,1.4191,11.4904;-.6907,2.1431,11.0706;1.0479,1.7445,11.2079;-.0462,1.4658,12.5929;-.2683,.015,10.9657;.4132,-.7118,11.4478;-1.2944,-.2696,11.2554;-.145,-.1248,9.4459;-.268,-1.1897,9.1737;.871,.1634,9.1125;-1.172,.7339,8.6952;-2.2725,.9938,9.1772;-.7301,1.4211,7.932;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605216600073</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000876006651 0.000210740838 0.025595256767 0.008681708596</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008350169 -0.000045574 0.000014701 0.000152173 0.000277710 0.000460869 0.001060515 0.001529347 0.001779636 0.002457425 0.003462126 0.003779327 0.004285323 0.004682002 0.005212343 0.005758925 0.006969424 0.007338640 0.008363089 0.010539047 0.011980355 0.013336439 0.017088491 0.018956770 0.021650571 0.024706764 0.027350305 0.030226918 0.032813041 0.033021997 0.034259237 0.036481876 0.040536669 0.040849822 0.042949128 0.044567747 0.046560037 0.047615084 0.051618222 0.052246624 0.053688760 0.057518184 0.059337630 0.061064155 0.067292394 0.068156987 0.071107697 0.072827433 0.077018857 0.077529190 0.079473185 0.079927006 0.081143939 0.082908437 0.087475229 0.092002491 0.098548178 0.099071754 0.100444478 0.105786487 0.107222273 0.109463241 0.113311078 0.115702210 0.124502236 0.129936463 0.135370434 0.137938522 0.139789813 0.146869478 0.150816261 0.161320532 0.168815946 0.171794507 0.176526378 0.181978286 0.188830813 0.195929486 0.198103102 0.208735991 0.215927253 0.223832248 0.235230882 0.254053676 0.264401417 0.292890293 0.311230260 0.343030495 0.407824579 0.417565905 0.431156213 0.475629069 0.535889734 0.545241915 0.587505568 0.612120840 0.662594634 0.683573715 0.737783770 0.750549840 0.755735429 0.768565084 0.770203070 0.778190934 0.785222095 0.798617646 0.805209798 0.811083074 0.814765129 0.822076024 0.827927076 0.846782269 0.849284919 0.858090319 0.864550882 0.892769088 0.901179978 0.905634248 0.909694578 0.919334847 0.924946863 0.934216314 0.971586147 0.979200510 1.453467609 1.541484490</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="-3.97776381" y3="-1.48616704" z3="10.54495129">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.5319266" y3="-0.5887928" z3="10.08003703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80441191" y3="-1.43192109" z3="11.63582204">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07189275" y3="-1.46430818" z3="10.37606928">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35642969" y3="-2.74945201" z3="9.95772775">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75490036" y3="-3.6525803" z3="10.46297594">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26523078" y3="-2.74536756" z3="10.12182999">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59925805" y3="-2.91169969" z3="8.45762562">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68659915" y3="-2.97950698" z3="8.2627733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11578841" y3="-3.84127996" z3="8.10895371">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79829802" y3="-1.78451488" z3="7.40010327">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04539024" y3="-0.51245569" z3="6.13235525">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64080844" y3="-1.17617719" z3="6.69086857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36974976" y3="0.51540834" z3="6.2222684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00948948" y3="-0.90231139" z3="4.64327517">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04763266" y3="-0.77857568" z3="4.26699589">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61706232" y3="-0.19298339" z3="4.06745853">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45289375" y3="-2.3344548" z3="4.37224203">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.5252943" y3="-2.41542946" z3="4.62704054">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06330409" y3="-3.01298756" z3="5.07445146">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22892524" y3="-2.82023544" z3="2.93725566">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.5295878" y3="-3.88293814" z3="2.86913504">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85382917" y3="-2.79373528" z3="2.70362418">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.98822973" y3="-2.02356961" z3="1.8762763">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07073565" y3="-2.00707526" z3="2.09914057">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.64534735" y3="-0.97528606" z3="1.8341493">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.85509645" y3="-2.4601159" z3="0.86955608">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07510226" y3="-2.72190591" z3="7.76692969">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40010201" y3="-0.58929253" z3="6.77586402">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19864326" y3="0.0536213" z3="6.39127011">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15192482" y3="-1.82105841" z3="7.69687261">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03033637" y3="1.40370925" z3="11.49694988">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.68605201" y3="2.13177207" z3="11.07969811">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.05148072" y3="1.72952049" z3="11.22099251">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.04889459" y3="1.44210213" z3="12.5993232">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26611481" y3="0.00400626" z3="10.96101377">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41410193" y3="-0.72718307" z3="11.43878602">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29303517" y3="-0.2818464" z3="11.24619433">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13935559" y3="-0.12426177" z3="9.44061248">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25766003" y3="-1.18760564" z3="9.16153072">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87593502" y3="0.16980071" z3="9.11090478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16950602" y3="0.73531553" z3="8.69427046">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26894941" y3="0.99277725" z3="9.18074066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72862709" y3="1.42842907" z3="7.93545731">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9778,-1.4862,10.545;-3.5319,-.5888,10.08;-3.8044,-1.4319,11.6358;-5.0719,-1.4643,10.3761;-3.3564,-2.7495,9.9577;-3.7549,-3.6526,10.463;-2.2652,-2.7454,10.1218;-3.5993,-2.9117,8.4576;-4.6866,-2.9795,8.2628;-3.1158,-3.8413,8.109;-1.7983,-1.7845,7.4001;-.0454,-.5125,6.1324;.6408,-1.1762,6.6909;.3697,.5154,6.2223;.0095,-.9023,4.6433;1.0476,-.7786,4.267;-.6171,-.193,4.0675;-.4529,-2.3345,4.3722;-1.5253,-2.4154,4.627;.0633,-3.013,5.0745;-.2289,-2.8202,2.9373;-.5296,-3.8829,2.8691;.8538,-2.7937,2.7036;-.9882,-2.0236,1.8763;-2.0707,-2.0071,2.0991;-.6453,-.9753,1.8341;-.8551,-2.4601,.8696;-1.0751,-2.7219,7.7669;-1.4001,-.5893,6.7759;-2.1986,.0536,6.3913;-3.1519,-1.8211,7.6969;.0303,1.4037,11.4969;-.6861,2.1318,11.0797;1.0515,1.7295,11.221;-.0489,1.4421,12.5993;-.2661,.004,10.961;.4141,-.7272,11.4388;-1.293,-.2818,11.2462;-.1394,-.1243,9.4406;-.2577,-1.1876,9.1615;.8759,.1698,9.1109;-1.1695,.7353,8.6943;-2.2689,.9928,9.1807;-.7286,1.4284,7.9355;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605223606386</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000478327883 0.000088291976 0.025318474554 0.008595814387</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.008145788 -0.000025241 0.000113082 0.000171642 0.000313310 0.000457247 0.000978041 0.001519973 0.001754990 0.002315726 0.003420212 0.003776841 0.004272866 0.004674103 0.005140936 0.005751357 0.006972834 0.007343178 0.008345229 0.010560151 0.011981175 0.013337479 0.017079807 0.018964010 0.021665667 0.024707476 0.027354419 0.030226749 0.032804376 0.033025397 0.034258961 0.036483152 0.040564501 0.040852310 0.042953787 0.044568422 0.046559485 0.047607339 0.051617815 0.052250064 0.053685451 0.057527163 0.059340835 0.061075265 0.067291950 0.068150236 0.071099634 0.072841467 0.077017690 0.077530905 0.079478222 0.079896075 0.081156845 0.082910585 0.087473037 0.092011235 0.098561740 0.099078880 0.100445743 0.105787266 0.107225993 0.109464247 0.113311257 0.115703338 0.124503899 0.129939222 0.135367747 0.137937856 0.139784721 0.146875388 0.150818290 0.161321720 0.168817308 0.171797844 0.176526511 0.182020060 0.188836342 0.195936116 0.198104536 0.208773743 0.215906845 0.223831130 0.235235686 0.254063370 0.264410628 0.292929881 0.311229964 0.343041280 0.407839932 0.417598392 0.431170024 0.475638462 0.535921887 0.545260821 0.587541774 0.612125126 0.662617191 0.683587869 0.737825553 0.750552127 0.755738483 0.768579407 0.770208055 0.778191268 0.785221834 0.798629017 0.805214539 0.811153513 0.814765663 0.822076215 0.827961404 0.846787388 0.849288973 0.858119852 0.864556708 0.892770088 0.901185225 0.905652564 0.909687870 0.919338286 0.924965344 0.934217436 0.971593854 0.979209298 1.453506917 1.541487052</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="-3.97339506" y3="-1.49566841" z3="10.54392351">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.52581255" y3="-0.5972229" z3="10.08216557">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.79435263" y3="-1.44891809" z3="11.63445291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.0684684" y3="-1.46752598" z3="10.38040295">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.36115182" y3="-2.75862302" z3="9.94615039">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7642659" y3="-3.66305611" z3="10.44559816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26950523" y3="-2.7626613" z3="10.10784663">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.60811246" y3="-2.90823671" z3="8.44524629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.69618246" y3="-2.96893874" z3="8.25223682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.13037652" y3="-3.83789063" z3="8.08869219">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.80304195" y3="-1.77998876" z3="7.39626313">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04545736" y3="-0.50764494" z3="6.13464768">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64055822" y3="-1.16922428" z3="6.69650995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.3679186" y3="0.52142356" z3="6.22312045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.01374234" y3="-0.90042095" z3="4.64628014">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0520726" y3="-0.77373323" z3="4.27172024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.61420779" y3="-0.19419665" z3="4.06841136">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44268648" y3="-2.33447153" z3="4.37678446">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51358582" y3="-2.4207611" z3="4.63612355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07983409" y3="-3.01092026" z3="5.07605405">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22287123" y3="-2.8193248" z3="2.94090547">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51547893" y3="-3.88473971" z3="2.87574202">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85841792" y3="-2.78439165" z3="2.70085964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.995435" y3="-2.03020813" z3="1.88317052">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.0763492" y3="-2.02149189" z3="2.11439275">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.66026441" y3="-0.97903764" z3="1.83551543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86710796" y3="-2.46833818" z3="0.87598108">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.08236599" y3="-2.71968087" z3="7.76256874">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40177805" y3="-0.58455741" z3="6.77478066">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19840837" y3="0.06119571" z3="6.39089924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15716896" y3="-1.8145815" z3="7.69115588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.0436301" y3="1.41211464" z3="11.49103815">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.67407944" y3="2.1412231" z3="11.07777888">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.06327172" y3="1.73195871" z3="11.2017639">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.02357611" y3="1.45744822" z3="12.59405144">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.2645852" y3="0.0105028" z3="10.96583331">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41390045" y3="-0.72081357" z3="11.44458842">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29173457" y3="-0.26717811" z3="11.2594194">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.14864903" y3="-0.12940237" z3="9.44619358">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.27904704" y3="-1.19363628" z3="9.17448892">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.86772114" y3="0.15166764" z3="9.10770972">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.1744466" y3="0.73588414" z3="8.70123362">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.27468114" y3="0.99326857" z3="9.18485596">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.73079929" y3="1.43018593" z3="7.94481569">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9734,-1.4957,10.5439;-3.5258,-.5972,10.0822;-3.7944,-1.4489,11.6345;-5.0685,-1.4675,10.3804;-3.3612,-2.7586,9.9462;-3.7643,-3.6631,10.4456;-2.2695,-2.7627,10.1078;-3.6081,-2.9082,8.4452;-4.6962,-2.9689,8.2522;-3.1304,-3.8379,8.0887;-1.803,-1.78,7.3963;-.0455,-.5076,6.1346;.6406,-1.1692,6.6965;.3679,.5214,6.2231;.0137,-.9004,4.6463;1.0521,-.7737,4.2717;-.6142,-.1942,4.0684;-.4427,-2.3345,4.3768;-1.5136,-2.4208,4.6361;.0798,-3.0109,5.0761;-.2229,-2.8193,2.9409;-.5155,-3.8847,2.8757;.8584,-2.7844,2.7009;-.9954,-2.0302,1.8832;-2.0763,-2.0215,2.1144;-.6603,-.979,1.8355;-.8671,-2.4683,.876;-1.0824,-2.7197,7.7626;-1.4018,-.5846,6.7748;-2.1984,.0612,6.3909;-3.1572,-1.8146,7.6912;.0436,1.4121,11.491;-.6741,2.1412,11.0778;1.0633,1.732,11.2018;-.0236,1.4574,12.5941;-.2646,.0105,10.9658;.4139,-.7208,11.4446;-1.2917,-.2672,11.2594;-.1486,-.1294,9.4462;-.279,-1.1936,9.1745;.8677,.1517,9.1077;-1.1744,.7359,8.7012;-2.2747,.9933,9.1849;-.7308,1.4302,7.9448;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605221150583</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000619031340 0.000162334093 0.024880338606 0.008731452375</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.007902722 0.000030934 0.000134083 0.000184765 0.000304571 0.000450786 0.000893909 0.001520655 0.001801608 0.002265349 0.003388097 0.003765839 0.004227956 0.004659233 0.005062268 0.005748752 0.006954769 0.007368181 0.008347542 0.010638652 0.011993065 0.013342329 0.017083371 0.018967462 0.021679467 0.024708738 0.027354697 0.030226436 0.032802888 0.033031305 0.034265394 0.036484315 0.040615047 0.040858026 0.042950455 0.044577555 0.046560025 0.047608260 0.051617138 0.052257772 0.053688771 0.057530373 0.059337957 0.061088966 0.067292423 0.068154185 0.071085009 0.072847079 0.077026276 0.077531609 0.079471772 0.079914934 0.081155057 0.082909457 0.087480018 0.092011185 0.098592187 0.099088065 0.100446808 0.105780963 0.107220276 0.109464083 0.113312543 0.115703686 0.124486980 0.129941618 0.135366639 0.137939614 0.139806214 0.146880699 0.150812133 0.161338880 0.168819072 0.171801353 0.176525321 0.182034876 0.188852200 0.195938978 0.198109706 0.208825444 0.215920738 0.223797131 0.235275766 0.254102987 0.264411788 0.292972393 0.311233746 0.343047220 0.407869789 0.417665735 0.431171864 0.475647679 0.536081156 0.545273121 0.587575359 0.612147567 0.662636583 0.683582196 0.737841977 0.750553999 0.755738424 0.768593625 0.770212564 0.778190699 0.785225025 0.798655033 0.805217560 0.811116414 0.814765577 0.822080225 0.827980235 0.846790424 0.849306731 0.858282406 0.864555525 0.892773775 0.901193947 0.905660297 0.909705654 0.919343744 0.925053083 0.934219474 0.971650600 0.979221813 1.453596411 1.541493414</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="-3.97866902" y3="-1.48427428" z3="10.54298492">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53295715" y3="-0.58648745" z3="10.07851023">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.8059677" y3="-1.43017167" z3="11.63402048">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07278472" y3="-1.46319327" z3="10.37336864">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35621283" y3="-2.74705344" z3="9.95582031">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.75387348" y3="-3.65064853" z3="10.46100585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26496164" y3="-2.74192196" z3="10.12001662">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59879817" y3="-2.90928062" z3="8.455672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68605435" y3="-2.97791862" z3="8.26062756">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11446971" y3="-3.83829912" z3="8.10677668">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79867294" y3="-1.78074534" z3="7.39850684">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04668126" y3="-0.5067488" z3="6.13095105">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.6414029" y3="-1.16783621" z3="6.69035718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.3662932" y3="0.52221702" z3="6.2184042">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00814728" y3="-0.89970565" z3="4.64261032">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04567967" y3="-0.77380068" z3="4.26545318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62078729" y3="-0.19330142" z3="4.0658076">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.450068" y3="-2.33376739" z3="4.37464749">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52186727" y3="-2.41786255" z3="4.63109017">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06940516" y3="-3.00960709" z3="5.07696771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22667378" y3="-2.8214702" z3="2.94022876">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52300323" y3="-3.88563499" z3="2.8749714">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85559401" y3="-2.79090446" z3="2.70454703">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99151675" y3="-2.03043033" z3="1.87880802">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07356791" y3="-2.01779078" z3="2.10431629">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65278342" y3="-0.98075118" z3="1.83293424">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.8592238" y3="-2.46916387" z3="0.87276813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07516924" y3="-2.71834009" z3="7.76419112">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.40076846" y3="-0.58445807" z3="6.77579686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19970852" y3="0.05865088" z3="6.39231385">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.15214175" y3="-1.8180333" z3="7.69529387">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.03004092" y3="1.39791546" z3="11.49986319">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.6876939" y3="2.12624775" z3="11.08536306">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.05058919" y3="1.72555559" z3="11.22372291">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.04845645" y3="1.43307019" z3="12.60243376">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26527318" y3="-0.00070557" z3="10.95969231">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41471827" y3="-0.73236021" z3="11.43627252">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29242848" y3="-0.28774374" z3="11.24346659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13797106" y3="-0.12520327" z3="9.43941334">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.25520622" y3="-1.18816432" z3="9.15793588">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.87735739" y3="0.17035668" z3="9.11062913">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16838244" y3="0.73568036" z3="8.69455687">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26749728" y3="0.99288512" z3="9.18195591">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72729838" y3="1.43058675" z3="7.93729879">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9787,-1.4843,10.543;-3.533,-.5865,10.0785;-3.806,-1.4302,11.634;-5.0728,-1.4632,10.3734;-3.3562,-2.7471,9.9558;-3.7539,-3.6506,10.461;-2.265,-2.7419,10.12;-3.5988,-2.9093,8.4557;-4.6861,-2.9779,8.2606;-3.1145,-3.8383,8.1068;-1.7987,-1.7807,7.3985;-.0467,-.5067,6.131;.6414,-1.1678,6.6904;.3663,.5222,6.2184;.0081,-.8997,4.6426;1.0457,-.7738,4.2655;-.6208,-.1933,4.0658;-.4501,-2.3338,4.3746;-1.5219,-2.4179,4.6311;.0694,-3.0096,5.077;-.2267,-2.8215,2.9402;-.523,-3.8856,2.875;.8556,-2.7909,2.7045;-.9915,-2.0304,1.8788;-2.0736,-2.0178,2.1043;-.6528,-.9808,1.8329;-.8592,-2.4692,.8728;-1.0752,-2.7183,7.7642;-1.4008,-.5845,6.7758;-2.1997,.0587,6.3923;-3.1521,-1.818,7.6953;.03,1.3979,11.4999;-.6877,2.1262,11.0854;1.0506,1.7256,11.2237;-.0485,1.4331,12.6024;-.2653,-.0007,10.9597;.4147,-.7324,11.4363;-1.2924,-.2877,11.2435;-.138,-.1252,9.4394;-.2552,-1.1882,9.1579;.8774,.1704,9.1106;-1.1684,.7357,8.6946;-2.2675,.9929,9.182;-.7273,1.4306,7.9373;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605224491555</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000219761694 0.000044559155 0.026603361214 0.008720595573</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.002047672602 0.001365115068</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.007784133 -0.000008979 0.000109335 0.000144486 0.000309032 0.000468199 0.000834099 0.001532312 0.001778084 0.002183797 0.003318809 0.003784544 0.004206285 0.004649842 0.005043396 0.005746837 0.006924451 0.007367009 0.008335636 0.010647914 0.011993674 0.013335306 0.017075841 0.018968366 0.021682126 0.024706193 0.027355171 0.030218983 0.032809072 0.033033734 0.034268417 0.036483894 0.040629288 0.040859698 0.042952463 0.044571614 0.046559623 0.047601167 0.051614169 0.052259966 0.053681845 0.057540480 0.059341043 0.061103665 0.067291281 0.068143899 0.071080773 0.072859159 0.077017660 0.077532559 0.079478670 0.079898054 0.081163695 0.082909430 0.087449083 0.092011451 0.098592060 0.099090355 0.100448249 0.105783907 0.107220174 0.109464084 0.113313032 0.115704108 0.124476681 0.129942305 0.135365105 0.137931746 0.139807979 0.146883905 0.150809070 0.161343641 0.168817967 0.171799332 0.176529412 0.182061244 0.188850959 0.195947225 0.198100257 0.208844956 0.215906793 0.223813604 0.235282837 0.254101224 0.264364144 0.292988859 0.311233885 0.343060684 0.407872243 0.417673892 0.431178305 0.475646041 0.536085001 0.545277835 0.587577570 0.612148406 0.662641474 0.683590253 0.737852582 0.750554233 0.755738104 0.768594240 0.770215213 0.778191900 0.785220484 0.798661392 0.805214920 0.811194548 0.814764670 0.822079992 0.828005774 0.846793699 0.849304458 0.858291308 0.864555985 0.892769510 0.901190120 0.905662524 0.909699722 0.919342836 0.925031492 0.934220494 0.971657953 0.979232829 1.453603845 1.541493024</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="-3.97555859" y3="-1.47423848" z3="10.53996725">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53206082" y3="-0.5764947" z3="10.07309987">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80239662" y3="-1.41712738" z3="11.6308573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.06995063" y3="-1.45654915" z3="10.37081395">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.34956809" y3="-2.73668747" z3="9.95551649">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.7439999" y3="-3.64040434" z3="10.46310457">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.25805706" y3="-2.72779268" z3="10.11905622">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59246053" y3="-2.90300953" z3="8.45589733">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.67963743" y3="-2.9725364" z3="8.26110171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10748799" y3="-3.83239579" z3="8.10889438">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79307315" y3="-1.7766897" z3="7.39555711">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.0416125" y3="-0.50292541" z3="6.12686947">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64836235" y3="-1.162357" z3="6.68581519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.37075802" y3="0.52634203" z3="6.21134616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00942319" y3="-0.89859295" z3="4.63920198">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04493583" y3="-0.76824131" z3="4.25755771">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.6254732" y3="-0.19626692" z3="4.06366632">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44286041" y3="-2.33555332" z3="4.37586573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.51233138" y3="-2.42570684" z3="4.64038667">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0859304" y3="-3.00790327" z3="5.07493863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22786232" y3="-2.82318656" z3="2.94010333">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.51757617" y3="-3.88938162" z3="2.87849272">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85223687" y3="-2.78554183" z3="2.6953998">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-1.00680839" y3="-2.03843985" z3="1.88433396">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.08694105" y3="-2.03241528" z3="2.1191087">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.67524043" y3="-0.98679286" z3="1.83445182">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.88019665" y3="-2.47748557" z3="0.87773834">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.06995701" y3="-2.71525253" z3="7.7587131">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3942654" y3="-0.57936173" z3="6.77508952">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19325209" y3="0.06415528" z3="6.39227963">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14623553" y3="-1.81319134" z3="7.69331655">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.01077313" y3="1.38423694" z3="11.51023858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.70725611" y3="2.11173902" z3="11.09516163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.03213766" y3="1.71869814" z3="11.24363495">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.07505981" y3="1.41171833" z3="12.61266279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.27418404" y3="-0.01183555" z3="10.95861502">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.40567778" y3="-0.74433528" z3="11.43519555">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.3021002" y3="-0.30515635" z3="11.23270071">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13287763" y3="-0.12572753" z3="9.43822171">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24305274" y3="-1.18767835" z3="9.14919924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88451261" y3="0.17585897" z3="9.12039312">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.15998009" y3="0.73600869" z3="8.68902019">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.25972248" y3="0.99683171" z3="9.17398268">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.71401321" y3="1.43105307" z3="7.93480517">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9756,-1.4742,10.54;-3.5321,-.5765,10.0731;-3.8024,-1.4171,11.6309;-5.07,-1.4565,10.3708;-3.3496,-2.7367,9.9555;-3.744,-3.6404,10.4631;-2.2581,-2.7278,10.1191;-3.5925,-2.903,8.4559;-4.6796,-2.9725,8.2611;-3.1075,-3.8324,8.1089;-1.7931,-1.7767,7.3956;-.0416,-.5029,6.1269;.6484,-1.1624,6.6858;.3708,.5263,6.2113;.0094,-.8986,4.6392;1.0449,-.7682,4.2576;-.6255,-.1963,4.0637;-.4429,-2.3356,4.3759;-1.5123,-2.4257,4.6404;.0859,-3.0079,5.0749;-.2279,-2.8232,2.9401;-.5176,-3.8894,2.8785;.8522,-2.7855,2.6954;-1.0068,-2.0384,1.8843;-2.0869,-2.0324,2.1191;-.6752,-.9868,1.8345;-.8802,-2.4775,.8777;-1.07,-2.7153,7.7587;-1.3943,-.5794,6.7751;-2.1933,.0642,6.3923;-3.1462,-1.8132,7.6933;.0108,1.3842,11.5102;-.7073,2.1117,11.0952;1.0321,1.7187,11.2436;-.0751,1.4117,12.6127;-.2742,-.0118,10.9586;.4057,-.7443,11.4352;-1.3021,-.3052,11.2327;-.1329,-.1257,9.4382;-.2431,-1.1877,9.1492;.8845,.1759,9.1204;-1.16,.736,8.689;-2.2597,.9968,9.174;-.714,1.4311,7.9348;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605223009543</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000685411484 0.000138218795 0.019838756271 0.006210865493</array>
               <array dataType="xsd:double" dictRef="g:threshold" 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">-0.007745162 0.000031239 0.000053673 0.000188499 0.000342651 0.000482222 0.000833612 0.001436101 0.001774461 0.002156025 0.003278160 0.003787298 0.004216882 0.004650951 0.005036627 0.005746851 0.006889973 0.007373641 0.008325500 0.010641553 0.011995720 0.013342421 0.017078003 0.018963646 0.021683329 0.024706006 0.027354330 0.030218828 0.032815576 0.033033812 0.034266582 0.036484554 0.040630605 0.040862170 0.042941715 0.044570549 0.046559471 0.047596862 0.051614582 0.052261568 0.053675745 0.057541187 0.059339912 0.061103265 0.067291465 0.068144755 0.071079996 0.072863613 0.076995428 0.077528776 0.079481073 0.079901992 0.081174516 0.082911074 0.087426899 0.091990581 0.098583306 0.099084480 0.100448142 0.105790970 0.107224446 0.109463618 0.113312424 0.115703991 0.124492706 0.129942637 0.135366765 0.137930138 0.139807654 0.146886389 0.150811470 0.161340018 0.168815786 0.171797829 0.176529990 0.182052817 0.188849115 0.195976443 0.198053751 0.208840349 0.215903185 0.223804665 0.235276466 0.254102667 0.264305551 0.292981664 0.311233507 0.343083465 0.407875222 0.417667317 0.431187132 0.475646205 0.536100435 0.545279016 0.587575955 0.612149297 0.662640515 0.683592839 0.737850718 0.750554312 0.755737305 0.768591190 0.770214344 0.778191652 0.785220693 0.798660738 0.805215571 0.811190287 0.814764253 0.822079107 0.828045446 0.846794426 0.849303933 0.858292609 0.864553342 0.892769179 0.901191933 0.905664088 0.909699870 0.919340260 0.925024184 0.934220823 0.971652963 0.979238025 1.453603762 1.541493306</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="-3.97690696" y3="-1.48065268" z3="10.54278093">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53201093" y3="-0.58304083" z3="10.07716115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80401021" y3="-1.42515427" z3="11.63373154">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07112351" y3="-1.46082284" z3="10.37339143">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35327104" y3="-2.74351007" z3="9.95691824">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.74976301" y3="-3.64693584" z3="10.46327379">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.2619315" y3="-2.73701989" z3="10.12074397">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59611805" y3="-2.90769791" z3="8.4570494">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.6833615" y3="-2.97679496" z3="8.26224587">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11154006" y3="-3.83694001" z3="8.10908581">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79649285" y3="-1.77999479" z3="7.39835765">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04504254" y3="-0.50650959" z3="6.12957025">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64357251" y3="-1.1672906" z3="6.68863369">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36806166" y3="0.52243692" z3="6.21602918">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00816594" y3="-0.90014646" z3="4.64139813">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04525772" y3="-0.77429506" z3="4.26298125">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62144469" y3="-0.19401491" z3="4.06506548">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.45027915" y3="-2.33427578" z3="4.37445924">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52175941" y3="-2.41833091" z3="4.63209001">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.06998759" y3="-3.00984487" z3="5.07642053">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.2284744" y3="-2.82246164" z3="2.93993657">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52503873" y3="-3.88661875" z3="2.87532814">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85354919" y3="-2.79215658" z3="2.70313321">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99427109" y3="-2.03158775" z3="1.87906089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07610762" y3="-2.01863595" z3="2.10556981">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65540167" y3="-0.98200093" z3="1.83262343">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86300762" y3="-2.47063585" z3="0.87304825">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07288564" y3="-2.71754678" z3="7.76368767">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39854016" y3="-0.58354387" z3="6.77580848">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19767462" y3="0.05925321" z3="6.39214962">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14982346" y3="-1.81719895" z3="7.69543601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.02187876" y3="1.39321811" z3="11.50385808">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.69645891" y3="2.12092761" z3="11.08943743">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.04239667" y3="1.72448051" z3="11.23182443">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.05975864" y3="1.4246145" z3="12.60630095">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26815207" y3="-0.00434178" z3="10.958556">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41237262" y3="-0.73576531" z3="11.4349496">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29530133" y3="-0.29480603" z3="11.23837838">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13540258" y3="-0.12413666" z3="9.43832016">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.248711" y3="-1.18672423" z3="9.1537355">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88029065" y3="0.17502706" z3="9.113945">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.165553" y3="0.73597649" z3="8.69190489">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26480875" y3="0.99408008" z3="9.17883141">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72346837" y3="1.43080615" z3="7.93516137">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9769,-1.4807,10.5428;-3.532,-.583,10.0772;-3.804,-1.4252,11.6337;-5.0711,-1.4608,10.3734;-3.3533,-2.7435,9.9569;-3.7498,-3.6469,10.4633;-2.2619,-2.737,10.1207;-3.5961,-2.9077,8.457;-4.6834,-2.9768,8.2622;-3.1115,-3.8369,8.1091;-1.7965,-1.78,7.3984;-.045,-.5065,6.1296;.6436,-1.1673,6.6886;.3681,.5224,6.216;.0082,-.9001,4.6414;1.0453,-.7743,4.263;-.6214,-.194,4.0651;-.4503,-2.3343,4.3745;-1.5218,-2.4183,4.6321;.07,-3.0098,5.0764;-.2285,-2.8225,2.9399;-.525,-3.8866,2.8753;.8535,-2.7922,2.7031;-.9943,-2.0316,1.8791;-2.0761,-2.0186,2.1056;-.6554,-.982,1.8326;-.863,-2.4706,.873;-1.0729,-2.7175,7.7637;-1.3985,-.5835,6.7758;-2.1977,.0593,6.3921;-3.1498,-1.8172,7.6954;.0219,1.3932,11.5039;-.6965,2.1209,11.0894;1.0424,1.7245,11.2318;-.0598,1.4246,12.6063;-.2682,-.0043,10.9586;.4124,-.7358,11.4349;-1.2953,-.2948,11.2384;-.1354,-.1241,9.4383;-.2487,-1.1867,9.1537;.8803,.175,9.1139;-1.1656,.736,8.6919;-2.2648,.9941,9.1788;-.7235,1.4308,7.9352;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605224773474</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000100125734 0.000017681865 0.005077517013 0.001518024695</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.004494349077 0.002996232718</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.007697344 0.000054104 0.000118376 0.000173348 0.000342255 0.000531734 0.000787459 0.001410851 0.001759495 0.002123347 0.003221842 0.003794959 0.004219081 0.004650142 0.005028373 0.005748159 0.006869073 0.007375099 0.008306321 0.010644392 0.012000987 0.013358266 0.017075779 0.018966121 0.021683502 0.024705043 0.027354643 0.030214765 0.032817337 0.033036304 0.034264096 0.036485189 0.040613458 0.040858824 0.042942357 0.044569962 0.046559467 0.047595477 0.051614617 0.052263894 0.053672399 0.057545096 0.059340928 0.061114185 0.067291686 0.068141203 0.071078673 0.072864529 0.076993995 0.077529187 0.079483260 0.079905049 0.081174931 0.082907427 0.087409392 0.091973427 0.098583716 0.099080173 0.100448707 0.105792445 0.107224483 0.109465341 0.113312630 0.115704238 0.124489158 0.129943369 0.135367557 0.137929264 0.139798000 0.146888842 0.150814026 0.161344506 0.168816200 0.171798495 0.176528620 0.182056104 0.188845084 0.195978590 0.198038569 0.208849174 0.215907449 0.223822284 0.235281383 0.254100502 0.264293775 0.292988762 0.311233231 0.343086899 0.407873767 0.417670315 0.431190453 0.475645212 0.536106080 0.545278209 0.587577316 0.612149442 0.662643201 0.683595226 0.737855623 0.750554722 0.755737135 0.768588569 0.770216298 0.778191842 0.785219191 0.798663701 0.805215587 0.811215057 0.814764649 0.822078925 0.828035930 0.846795763 0.849305564 0.858296661 0.864556349 0.892768713 0.901189420 0.905669048 0.909698582 0.919340833 0.925002776 0.934220926 0.971654568 0.979244505 1.453603597 1.541493551</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="-3.97732698" y3="-1.4784491" z3="10.54219718">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53273331" y3="-0.58093419" z3="10.07603205">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80477498" y3="-1.4220232" z3="11.63317303">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07152377" y3="-1.4594498" z3="10.37244015">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.35271871" y3="-2.74135409" z3="9.95748266">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.74856058" y3="-3.64467019" z3="10.46457915">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26137988" y3="-2.73386809" z3="10.12142583">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.5953173" y3="-2.90697924" z3="8.45772508">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68250731" y3="-2.97670528" z3="8.26283247">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.11028796" y3="-3.83627674" z3="8.11056942">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79607526" y3="-1.77947314" z3="7.39821909">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04498578" y3="-0.50560513" z3="6.12913857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64415237" y3="-1.16579527" z3="6.68830073">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36763759" y3="0.52358942" z3="6.2150183">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00798986" y3="-0.89982993" z3="4.64111573">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.04485368" y3="-0.77337349" z3="4.26232879">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62232108" y3="-0.19438822" z3="4.06473139">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44940252" y3="-2.33438576" z3="4.37478822">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52062644" y3="-2.41933811" z3="4.6331837">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.0719752" y3="-3.00936093" z3="5.07647235">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22817827" y3="-2.82261414" z3="2.94019282">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52354379" y3="-3.8871225" z3="2.876049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85362715" y3="-2.79108134" z3="2.70249532">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99579041" y3="-2.03288419" z3="1.87975908">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07745705" y3="-2.02112225" z3="2.10722858">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65816121" y3="-0.98290798" z3="1.83268823">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86491652" y3="-2.47207733" z3="0.87375115">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07228623" y3="-2.71691903" z3="7.7633752">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.39825611" y3="-0.58275086" z3="6.7759064">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19756483" y3="0.05981268" z3="6.39222264">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14933386" y3="-1.81687587" z3="7.69528393">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.01926686" y3="1.39017561" z3="11.50542665">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.69997959" y3="2.11743527" z3="11.0917265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.03947685" y3="1.72345793" z3="11.23475875">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06333946" y3="1.41953698" z3="12.60785498">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26817383" y3="-0.00686502" z3="10.95734049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41283718" y3="-0.73808964" z3="11.43320713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29523749" y3="-0.29929771" z3="11.23557356">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13370089" y3="-0.12391139" z3="9.43708322">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24506866" y3="-1.18618819" z3="9.15085698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.8819207" y3="0.17744528" z3="9.1143118">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16445623" y3="0.73583512" z3="8.6908208">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26352383" y3="0.9939616" z3="9.17841024">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.7225891" y3="1.43110477" z3="7.9342955">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9773,-1.4784,10.5422;-3.5327,-.5809,10.076;-3.8048,-1.422,11.6332;-5.0715,-1.4594,10.3724;-3.3527,-2.7414,9.9575;-3.7486,-3.6447,10.4646;-2.2614,-2.7339,10.1214;-3.5953,-2.907,8.4577;-4.6825,-2.9767,8.2628;-3.1103,-3.8363,8.1106;-1.7961,-1.7795,7.3982;-.045,-.5056,6.1291;.6442,-1.1658,6.6883;.3676,.5236,6.215;.008,-.8998,4.6411;1.0449,-.7734,4.2623;-.6223,-.1944,4.0647;-.4494,-2.3344,4.3748;-1.5206,-2.4193,4.6332;.072,-3.0094,5.0765;-.2282,-2.8226,2.9402;-.5235,-3.8871,2.876;.8536,-2.7911,2.7025;-.9958,-2.0329,1.8798;-2.0775,-2.0211,2.1072;-.6582,-.9829,1.8327;-.8649,-2.4721,.8738;-1.0723,-2.7169,7.7634;-1.3983,-.5828,6.7759;-2.1976,.0598,6.3922;-3.1493,-1.8169,7.6953;.0193,1.3902,11.5054;-.7,2.1174,11.0917;1.0395,1.7235,11.2348;-.0633,1.4195,12.6079;-.2682,-.0069,10.9573;.4128,-.7381,11.4332;-1.2952,-.2993,11.2356;-.1337,-.1239,9.4371;-.2451,-1.1862,9.1509;.8819,.1774,9.1143;-1.1645,.7358,8.6908;-2.2635,.994,9.1784;-.7226,1.4311,7.9343;</scalar>
</formula>
</molecule>
               </module>
               <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" units="nonsi:hartree">-774.605224840831</scalar>
               <scalar cmlx:templateRef="spinsqr" dataType="xsd:double" dictRef="cc:s2">0.000000000000</scalar>
               <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">Maximum Force|RMS Force|Maximum Displacement|RMS Displacement</array>
               <array dataType="xsd:double" dictRef="g:value" size="4">0.000132280344 0.000024478886 0.003587261945 0.001046824483</array>
               <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000300000000 0.000200000000 0.003401865954 0.002267910636</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.007655003 0.000039898 0.000121944 0.000164692 0.000334322 0.000581006 0.000747443 0.001390080 0.001761692 0.002103768 0.003139349 0.003802595 0.004198935 0.004648838 0.005025830 0.005747849 0.006846150 0.007387199 0.008299901 0.010645910 0.012004819 0.013367475 0.017079647 0.018965870 0.021686168 0.024704508 0.027356394 0.030211210 0.032825494 0.033038215 0.034262605 0.036485722 0.040609768 0.040859015 0.042942943 0.044569238 0.046559274 0.047593674 0.051615096 0.052265305 0.053668413 0.057546554 0.059341915 0.061125384 0.067291766 0.068136676 0.071075540 0.072869299 0.076990702 0.077528655 0.079488367 0.079907602 0.081180558 0.082908037 0.087404839 0.091956605 0.098584262 0.099073766 0.100447732 0.105792316 0.107223326 0.109466481 0.113312282 0.115704292 0.124488641 0.129943963 0.135368307 0.137928316 0.139793801 0.146891710 0.150819685 0.161346758 0.168816264 0.171798064 0.176526104 0.182058528 0.188844770 0.195987317 0.198030053 0.208848595 0.215900327 0.223817538 0.235279938 0.254101934 0.264260286 0.292991940 0.311233204 0.343100283 0.407869489 0.417676014 0.431192372 0.475644924 0.536123632 0.545278162 0.587579992 0.612151911 0.662646087 0.683601799 0.737860186 0.750554979 0.755736877 0.768586870 0.770217233 0.778192001 0.785218662 0.798664975 0.805215909 0.811250640 0.814764552 0.822079715 0.828050579 0.846796422 0.849306005 0.858309719 0.864556937 0.892768516 0.901189557 0.905672670 0.909695728 0.919337720 0.924969998 0.934220776 0.971668406 0.979254603 1.453605961 1.541496153</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="-3.97655145" y3="-1.47757124" z3="10.54234636">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="-3.53218414" y3="-0.58002407" z3="10.07607552">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="-3.80373721" y3="-1.42112952" z3="11.63326309">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="-5.07078187" y3="-1.45870289" z3="10.37287984">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="-3.3518846" y3="-2.74037078" z3="9.95746344">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="-3.74746916" y3="-3.64374622" z3="10.46462672">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="-2.26050454" y3="-2.73273295" z3="10.12112958">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="-3.59477379" y3="-2.90596716" z3="8.4577783">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="-4.68200032" y3="-2.97552944" z3="8.26307012">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="-3.10991899" y3="-3.83531592" z3="8.11051659">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-1.79556086" y3="-1.77871897" z3="7.39793712">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-0.04464063" y3="-0.50513759" z3="6.12836579">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="0.64466291" y3="-1.1651769" z3="6.68741617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="0.36802195" y3="0.5240137" z3="6.21385267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="0.00777972" y3="-0.8997865" z3="4.64045863">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="1.0444257" y3="-0.77306175" z3="4.26110003">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-0.62310049" y3="-0.19476315" z3="4.06415933">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-0.44926926" y3="-2.3346163" z3="4.37485267">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-1.52034992" y3="-2.4198477" z3="4.63376616">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="0.07265934" y3="-3.00915031" z3="5.07658717">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-0.22854285" y3="-2.82330064" z3="2.94032243">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-0.52382385" y3="-3.88785508" z3="2.87662189">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="0.85316468" y3="-2.79173541" z3="2.70221543">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-0.99659257" y3="-2.03396527" z3="1.87993519">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-2.07818331" y3="-2.0222297" z3="2.10772037">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-0.65908931" y3="-0.98400545" z3="1.83253163">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-0.86595896" y3="-2.47340336" z3="0.87402301">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-1.07182025" y3="-2.71628323" z3="7.76284265">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-1.3977018" y3="-0.58206669" z3="6.77556713">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-2.19702197" y3="0.06064203" z3="6.3921304">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="-3.14877633" y3="-1.81591635" z3="7.6953284">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="0.01661059" y3="1.38844163" z3="11.50703698">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="-0.70298158" y3="2.11537635" z3="11.09347585">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="1.0367309" y3="1.72324619" z3="11.23779964">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="-0.06692672" y3="1.41636532" z3="12.60944739">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="-0.26880825" y3="-0.00821124" z3="10.95713702">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="0.41275151" y3="-0.73932234" z3="11.43259601">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="-1.29567567" y3="-0.30216457" z3="11.23427485">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="-0.13284773" y3="-0.12335164" z3="9.43683943">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="-0.24299515" y3="-1.18545645" z3="9.14925686">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="0.88278854" y3="0.17927424" z3="9.11543162">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="-1.16350089" y3="0.7363969" z3="8.69041846">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="-2.26258341" y3="0.9947302" z3="9.17783049">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="-0.72139979" y3="1.43151756" z3="7.93394444">
                           <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 a8" order="S"/>
                        <bond atomRefs2="a5 a7" order="S"/>
                        <bond atomRefs2="a5 a6" order="S"/>
                        <bond atomRefs2="a8 a31" order="S"/>
                        <bond atomRefs2="a8 a10" order="S"/>
                        <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                        <bond atomRefs2="a32 a33" order="S"/>
                        <bond atomRefs2="a32 a35" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a42" 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:-3.9766,-1.4776,10.5423;-3.5322,-.58,10.0761;-3.8037,-1.4211,11.6333;-5.0708,-1.4587,10.3729;-3.3519,-2.7404,9.9575;-3.7475,-3.6437,10.4646;-2.2605,-2.7327,10.1211;-3.5948,-2.906,8.4578;-4.682,-2.9755,8.2631;-3.1099,-3.8353,8.1105;-1.7956,-1.7787,7.3979;-.0446,-.5051,6.1284;.6447,-1.1652,6.6874;.368,.524,6.2139;.0078,-.8998,4.6405;1.0444,-.7731,4.2611;-.6231,-.1948,4.0642;-.4493,-2.3346,4.3749;-1.5203,-2.4198,4.6338;.0727,-3.0092,5.0766;-.2285,-2.8233,2.9403;-.5238,-3.8879,2.8766;.8532,-2.7917,2.7022;-.9966,-2.034,1.8799;-2.0782,-2.0222,2.1077;-.6591,-.984,1.8325;-.866,-2.4734,.874;-1.0718,-2.7163,7.7628;-1.3977,-.5821,6.7756;-2.197,.0606,6.3921;-3.1488,-1.8159,7.6953;.0166,1.3884,11.507;-.703,2.1154,11.0935;1.0367,1.7232,11.2378;-.0669,1.4164,12.6094;-.2688,-.0082,10.9571;.4128,-.7393,11.4326;-1.2957,-.3022,11.2343;-.1328,-.1234,9.4368;-.243,-1.1855,9.1493;.8828,.1793,9.1154;-1.1635,.7364,8.6904;-2.2626,.9947,9.1778;-.7214,1.4315,7.9339;</scalar>
</formula>
</molecule>
                  <scalar cmlx:templateRef="energy" dataType="xsd:double" dictRef="cc:energy" id="irc-center.0" units="nonsi:hartree">-774.605224864959</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">-126.89224063 25.02405047 32.62731968 40.35856708 55.78148021 59.43343934 73.42671133 89.66452288 101.53883026 122.57663828 134.19237017 151.51160583 162.39996030 174.06983579 192.60397438 205.31374113 238.19270591 249.94551753 277.10474782 285.54471145 296.60578376 303.02290023 313.63969749 381.08658335 385.15812671 409.27722079 443.02490806 475.69940043 526.11863070 543.52420636 629.91435736 685.79579101 749.26995052 759.92740903 774.32489192 784.71842237 799.15595736 809.14994100 828.68628449 872.91242273 882.88028769 890.02886552 896.57432419 922.90856846 935.22451451 959.45792289 966.27794009 992.78963906 1009.44532422 1028.80913810 1044.16725300 1075.56104784 1095.86748299 1114.16463428 1117.99961432 1129.10794123 1138.49316548 1141.72923905 1158.62488859 1182.92952273 1196.13617252 1208.40253459 1235.36048181 1261.73870396 1273.33647572 1303.75476586 1315.05546422 1316.39648996 1328.47477445 1329.56136040 1351.16072930 1371.26946439 1378.59851849 1386.62228975 1387.54763377 1388.61670204 1406.77559033 1420.69798878 1422.17162523 1427.59446263 1430.70320011 1438.09247473 1460.37600586 1466.82129818 1474.80122931 1477.00234418 1479.71377601 1486.00458907 1487.02116464 1487.62333806 1493.26773646 1494.94828729 1496.28387787 1502.14115736 1506.82430058 1509.96561169 1527.92063050 1705.83508765 1746.83005497 2891.62923726 2956.76432208 2982.79662781 2999.64902851 3009.55873546 3011.04536929 3011.24567666 3017.90836482 3021.45975695 3028.18387613 3030.90428006 3039.47515569 3045.12517732 3061.67756591 3067.87230776 3077.92833768 3080.47640677 3086.45760810 3087.30269863 3102.04871694 3105.03956182 3106.27130722 3107.01912020 3121.76297330 3122.82334024 3129.46001125 3176.49384035</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">6.61970711 3.40977132 3.29361971 3.22120483 3.14978956 2.92850194 2.86130509 4.95496145 2.71874254 2.72960166 2.67765876 2.96188578 2.65202784 3.29165701 2.32141919 2.32369813 1.89474129 2.53947323 3.38182700 1.31536206 1.40878568 1.61338541 2.03670311 2.79148835 2.72836854 2.46262622 2.36501823 2.61985897 2.56531218 2.20081444 2.63415676 3.13268168 1.33858273 1.29799437 1.25360561 2.28825447 2.02721132 1.42229779 1.73021530 2.32353772 1.48227374 2.51539215 2.35352606 1.73236729 1.40356802 1.79976480 1.79368937 1.31135072 1.72283600 1.74662266 1.69896720 1.52827422 2.06243974 2.04496601 1.98135082 2.05244624 1.88110362 1.90044544 2.00812183 2.00859003 1.87796119 3.25028231 1.45435341 1.35942418 1.26915067 1.23289013 1.18205186 1.17184617 1.20125049 1.19650431 1.24402333 1.37519511 1.25802934 1.36991140 1.42795285 1.40761456 1.26535160 1.43238209 1.36051659 1.38373402 1.50748716 1.30781085 1.09057946 1.13238730 1.09778625 1.10624875 1.08638459 1.08104349 1.10541173 1.08910016 1.07290864 1.06576332 1.05984304 1.06834176 1.04791427 2.17180345 1.09220387 8.14579353 9.93106344 1.08732985 1.06985412 1.06718953 1.04029664 1.06709269 1.05900850 1.04223513 1.06508782 1.04106829 1.06315834 1.06790267 1.09643354 1.07165342 1.09485667 1.09420360 1.10266380 1.10180764 1.10294536 1.10422992 1.10452483 1.10389270 1.09847665 1.09826539 1.10358011 1.10619666 1.10304861 1.08887494</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">0.0188532137 -0.0321214665 -0.0102155304 0.0284075356 -0.0554895953 0.0301561952 0.0212031664 -0.0169717612 -0.0009415423 0.0180779428 -0.0552551767 -0.0341198165 0.0179930826 0.0063893660 -0.0210379244 0.0279420129 0.0231914189 -0.0451414894 0.0135514344 0.0295540679 0.0044460609 0.0131623196 -0.0056259064 -0.0330523724 0.0153767033 -0.0460827875 -0.0760729203 0.0308403909 0.0252014780 -0.0560467803 -0.0643892479 -0.0224847494 0.0216067887 -0.1219714808 -0.0599764934 0.0444483685 -0.0456813205 -0.0528930599 0.0623054672 -0.0772614318 -0.0882837954 0.0916473580 -0.1380048194 0.0438551028 -0.0618008460 -0.0766903564 0.0448231698 -0.1260500056 -0.2050503568 0.0865012224 -0.0798552997 -0.1121692990 0.0297888331 -0.0456201085 -0.0826517707 0.0562758128 -0.0286765042 -0.1036854844 0.0217639077 -0.0424646153 -0.1064778724 -0.0069806012 -0.0305950932 -0.0930758662 -0.0191488543 -0.0171081485 -0.1414114902 -0.0218089846 -0.0292677502 -0.0784261959 -0.0156344625 -0.0158676121 -0.0345767757 0.0049944782 -0.0166973829 -0.0994261536 -0.0049836023 -0.0288776451 -0.0761119428 -0.0540310769 0.0109362433 0.0797270709 0.0375665467 -0.0054969127 -0.3266840668 -0.1886434907 0.0466606471 -0.1882949625 -0.1328188581 0.0610608033 0.0056709993 -0.0488008134 0.0049907161 0.1223988119 -0.0214885149 -0.1278587678 0.2228023103 0.0042842663 -0.1179922333 0.0994852303 -0.0247890850 -0.1134185200 0.1003935310 -0.0307680856 -0.2139874989 0.0607629618 -0.0228107582 -0.0492878906 -0.0415742098 -0.0356607175 -0.0617377757 0.0786754999 -0.0275580330 -0.0780542603 0.0927391551 0.0254199718 0.0923177990 -0.0227801836 -0.0084287934 0.2278254917 0.0650839037 0.0081697430 0.0820912860 0.2804092568 0.1449129877 0.1050667831 0.2086135096 0.1351614834 0.0957691912 -0.0299406629 -0.1034836788 0.0990360090 0.0233410685 -0.0568080412 -0.0757262206 0.0478095471 -0.0442307599 -0.0864142056 0.0030041352 -0.0671942753 -0.1322471413 0.0645957050 -0.0338347479 -0.0531597231 -0.0337140904 -0.0907271255 -0.0154011898 -0.0645100196 -0.1121460104 0.0032994708 -0.0650038315 -0.1184244775 -0.0437369317 -0.0129696983 -0.0665081081 0.0592850814 0.0166081121 -0.0447811175 0.0863243616 -0.0522217137 -0.0929269536 0.0953578189 0.0074721065 -0.0564854913 0.0411539170 0.0323708597 -0.0404978201 0.0124510133 0.0433836364 -0.0598152255 0.0144522579 0.0526337520 -0.0415565415 0.0028672467 0.0272305741 0.0016413460 -0.0034328628 0.0572614320 0.0104330731 -0.0187480816 0.0137516566 0.0200448032 -0.0073674134 0.0010376025 0.0100649406 0.0019613986 -0.0464907886 0.0056283501 0.0287463801 0.0285565352 -0.0224733315 0.0165279442 -0.0000409484 0.0659390584 -0.0455815130 -0.0182916719 0.0598088543 -0.0253935540 0.0532870076 0.0614502618 -0.0856788052 -0.0458692555 0.1382950003 -0.0697148079 -0.0999186711 0.1444516968 -0.0292107875 -0.0260404525 0.1495847946 -0.0962093964 -0.0481804487 0.1781323952 -0.1021834218 0.0046578119 -0.0717788304 0.0416843211 0.0014935750 -0.0528560116 0.0294860793 0.0052849651 -0.0361831833 0.0318533494 0.0192681003 -0.0459912937 0.0505681078 -0.1331864071 0.2628657768 -0.0312932959 -0.1081304849 0.2588114785 -0.0286411861 -0.2717419576 0.2164120074 -0.0304886958 -0.1240811944 0.4040366268 -0.0492312483 0.0029447281 0.1490553902 -0.0099509414 -0.0122584845 0.1611018106 -0.0121381456 0.1321498241 0.1963685539 -0.0066796656 -0.0062583448 -0.0425891077 0.0141654814 0.0817544946 -0.1273877570 0.0473703084 -0.1440467693 -0.1052044924 -0.0030569590 0.0495560090 -0.0522719762 0.0212580612 0.0682983280 -0.0651721937 -0.0116205575 0.0482088121 -0.0703355266 0.0535306812 0.0165887074 0.0229435697 0.0557436177 -0.0186706793 0.0137305398 0.0522883488 0.0344693852 0.0410940911 0.1076658455 -0.0108925499 0.0147404240 0.0478897568 0.0763245044 0.0216397576 0.0040637485 0.1182115598 0.0345953587 0.0068066904 0.0992299757 0.0314846990 0.0139603721 0.0565612453 -0.0101658509 -0.0684161168 0.0373176172 -0.0207771115 -0.0815874109 0.1027492553 -0.0091930543 -0.1027398970 0.0115239362 -0.0308262637 -0.0901976664 -0.0193606933 -0.0495245840 -0.1204244943 -0.0537484272 -0.1164402402 -0.1308457127 0.0160136882 -0.0304784359 -0.1847268420 -0.0175909159 -0.0093791433 -0.0560239332 -0.0181487743 -0.0503371564 -0.1304803868 0.0160040393 0.1071354222 -0.0508935324 -0.0582220367 -0.0682909721 0.0989594315 -0.0799946456 -0.0116548226 0.2020338964 -0.0645918439 -0.2026325767 0.1089128551 -0.0613759867 -0.0282608467 0.1177755622 -0.0953176735 -0.0997360593 0.2595204992 -0.0351847634 -0.1080045563 -0.0076280302 -0.0560025602 0.2048194709 0.1184545568 -0.0788121201 0.2936214111 0.2433700194 -0.0248087029 0.2825331138 -0.0314153247 -0.0607296730 0.2229210833 0.1444375031 0.0504184387 -0.0276896090 -0.0911500427 -0.0276687570 -0.0406621665 -0.0966306976 -0.0506551327 -0.0413816770 -0.0983395339 0.0049249920 -0.0283154556 -0.0794121675 0.0003321415 0.0351335347 0.0920469509 -0.0489576170 0.0541360312 0.0881506304 -0.0069804860 0.0206429030 0.0581089264 0.0141630346 0.0559350062 0.1436188083 0.0561251100 0.0035678379 0.0739055655 0.1073620150 -0.0128560069 0.0817314727 0.0612118002 0.0189070389 0.1083239392 0.0407758035 -0.0264874260 0.0024119358 0.0831056996 -0.0495371148 -0.0049855456 0.0329092689 -0.0434204410 -0.0349262099 -0.0220708472 -0.0033428332 -0.0109940846 -0.0529699881 0.0161434349 0.0324610051 -0.0645766299 -0.0143920044 -0.0533339164 0.0941610300 0.0725861948 -0.0434382745 0.0719163662 0.0487826243 -0.0086765908 0.0807442220 0.1193644325 -0.0657239013 0.1399618967 0.0480392987 -0.0692756901 0.0779579904 0.0758070514 -0.0302880049 0.0937831636 0.1017534692 -0.0663258105 0.0338626095 0.0977463932 -0.0061887772 0.0961627417 0.0162949404 -0.0024773204 0.1422121230 0.0077094268 -0.0108501822 0.0863039816 0.0023731042 0.0089455453 0.0184906830 -0.0205398783 0.0432045572 -0.0110864967 -0.0341944418 0.0896636701 -0.0177655024 -0.0038707383 0.0891129792 -0.0238563158 -0.0398853150 0.1102973832 -0.0082416296 -0.0540836486 0.0876535706 -0.0109169533 -0.0511944132 0.0954197389 -0.0154814356 -0.0668953588 0.0862642814 -0.0012002359 -0.0491405169 0.0693808403 -0.0879615164 -0.0538890743 0.1238302890 0.0832857901 -0.0898623941 0.1087416808 0.0009557267 0.0203974228 -0.0734582834 0.0062501520 -0.0076330160 -0.0276409740 0.1083695021 -0.0085440770 -0.1812279915 -0.1385972212 0.1733622371 -0.1465254888 -0.2528954328 0.2052915198 -0.0371095631 -0.1376152183 0.2091047853 -0.2109825192 -0.1366292812 0.2282518545 -0.2476721210 -0.0167322013 -0.0107282612 0.0432863863 0.0211267929 -0.0278284247 0.0613968833 0.0428608139 -0.0417693379 0.0610301289 0.0696019669 -0.0096896428 0.0206894270 0.0083165852 -0.1349940831 -0.0342457931 0.0370268473 -0.1689324012 -0.0328958982 0.0659057994 -0.0998865007 0.0098992861 -0.0059236304 -0.1996474891 -0.0699247743 -0.0857257401 -0.0564022144 -0.0482695525 -0.1197855485 -0.0283537648 -0.0537449536 -0.1364348916 -0.0921102602 -0.0940256040 -0.0704729594 0.0322141929 -0.0012370821 -0.1327047424 0.0914369322 -0.0234578251 -0.0128282354 0.0747011994 0.0500574596 -0.0471089467 -0.0076546933 0.0045889299 -0.0106579566 -0.0012121709 -0.0186700503 -0.0326935372 -0.0081429301 0.0294643517 0.0566647602 0.1340612200 -0.2575941912 0.0547121476 0.1307734371 -0.2490856057 -0.0077073268 0.1900953693 -0.4112663336 0.2280831385 0.1722661060 -0.2220452412 -0.0792892458 0.0085094309 -0.0996164341 -0.1194661239 -0.0284098638 -0.0591014817 -0.2044171854 -0.0597733627 -0.1687100867 -0.0108410780 0.0072044511 0.1071986265 0.1096833703 0.0742544421 0.1910940781 -0.1104091026 -0.1032008419 0.2110169312 -0.0146361153 0.0013748741 0.0375342325 -0.0138847246 0.0027989954 -0.0645261984 -0.0006540780 -0.0458564721 -0.0632277088 -0.0171405254 0.0209333548 -0.1043315611 -0.0165018378 0.0121724206 -0.0758672502 -0.0096905630 -0.0076170210 -0.1193520391 -0.0267349409 0.0602785435 -0.0799263808 -0.0143338361 -0.0142527808 -0.0234071143 0.0033054389 0.0095834826 0.0007144294 -0.0295130884 -0.0457188157 -0.0264153994 -0.0146669085 -0.0335587528 0.0051131164 -0.0123978143 -0.0520244715 0.0358979859 -0.0359637495 -0.0555571384 -0.0114273343 0.0085572380 -0.0051598782 0.0168110208 0.0323614188 0.0193238435 0.0329517100 0.0025796352 0.0123280434 -0.0129329114 0.0090657485 -0.0249915762 0.0397096574 -0.0416747039 -0.0568284945 0.0421649260 -0.0227382551 0.0288037391 -0.0087283186 -0.0203158658 0.0794373897 -0.0021922867 0.0321951937 0.0494596198 0.0730412122 0.0369358023 -0.0457724883 0.0866004961 0.0024661787 -0.0345221484 0.0836623690 0.0390938443 -0.0525305193 0.0653930889 0.0456510582 -0.0387197354 0.1216975165 0.0686538793 -0.0610804138 0.0713290347 0.1077783432 -0.0738153012 0.0771489117 0.0657732947 -0.0523267969 0.0941122221 0.0561806356 -0.0700182076 0.0127471391 0.0853882326 -0.1073456452 0.0358683736 0.0546888828 -0.0955165010 -0.0551369928 0.0041899858 0.0105490586 0.0078023350 -0.0393219552 0.0300572894 0.0642399578 0.0009372893 0.0387201402 -0.0540133571 -0.0871570468 -0.0708044856 -0.0484901162 -0.0496076179 -0.0434447235 -0.0801743159 -0.0884338278 -0.1193692116 -0.0649238159 -0.1031271975 -0.0386885019 -0.0154951678 -0.1115141185 -0.0855018896 -0.0225257984 -0.1518801887 -0.1210232231 0.0155670801 -0.0923739866 -0.1169033508 -0.0558034048 -0.1120593402 -0.0096471950 0.0073778433 -0.1404054896 0.0020169998 0.0197500699 -0.1402729492 0.0086932015 0.0225866455 0.0224288526 0.0519466308 0.0019247805 -0.0026855109 0.0288848355 -0.0031739288 0.0032812255 0.0317171187 -0.0013558354 -0.0402493272 0.0403112576 -0.0055582355 0.0003105527 -0.0326502182 -0.0147537328 -0.0340694904 -0.1006984401 -0.1041139436 -0.0223700929 0.0530858080 -0.0228991775 0.0763467555 -0.1226832648 0.0996899753 0.0625975611 -0.0443334151 0.2297662847 0.1442304494 -0.2325212142 0.1390168708 0.0840537829 -0.1758049035 0.0050263533 0.1492277978 -0.2753923266 0.1433231573 0.1062236354 -0.2921775821 -0.1678674869 -0.0176549623 0.0432174265 -0.0492638097 -0.0414438449 0.1700327634 0.1238641585 -0.0861049171 0.1428232261 -0.2071255320 -0.0059105287 -0.0077435670 -0.1053411038 0.0667618785 0.0691375904 -0.0005642651 0.0187259957 0.0486264416 0.0039056027 -0.0088402011 0.0336141891 0.0003928214 -0.0468913520 0.0229366508 0.0045722760 0.0604668130 -0.0113812702 0.0230174963 0.0888018273 -0.0708802293 0.0238984356 0.0972881765 0.0244933460 0.0893990477 0.0489548490 -0.0468726276 -0.0124363038 -0.0076709425 0.0632328965 -0.0195319274 -0.0347666499 0.1178049075 -0.0239563500 -0.0425213114 0.0250338431 -0.0842433693 0.0027984892 0.1132294349 0.0200695622 -0.0382893904 0.1576557350 -0.0027163967 0.0341242901 0.1463037660 0.0755380658 0.0272773762 0.0532739494 0.0189968784 0.0375179053 0.0205900390 -0.0201670882 0.0268238490 0.0312558064 0.0622087895 0.0570555310 -0.0290365385 -0.0265635401 0.0682651445 -0.0218806012 -0.0350718857 0.0408145456 -0.0304519266 -0.0698041280 0.0932186108 -0.0132741427 -0.0111270424 0.0145847292 -0.0561033068 0.0189974047 -0.0091266403 -0.0740800369 0.0360262157 -0.0104249750 -0.0783123083 -0.0037864910 0.0283565092 -0.0339436244 0.0710724116 0.0492136916 -0.0019471984 0.1099003162 0.0081316496 -0.0791333430 0.0979305302 0.0366431348 -0.0298196860 0.0045894438 0.0166367971 -0.0313824877 -0.0783867229 0.0380371786 -0.0819431607 -0.0746241021 0.0440859492 -0.0232595198 -0.1124513737 0.0105357980 0.0343452282 -0.0976579780 0.0501905158 0.0443741129 -0.1200303729 0.0017767812 0.0665480662 -0.1011037329 -0.0337856666 0.0445727109 -0.0756362465 -0.0036962104 0.0399283669 -0.1037762943 -0.0924471115 0.0491692997 -0.1013027857 -0.0391102436 0.0551983815 0.0255769140 -0.0822974076 0.0706788635 0.0215249955 -0.0795649607 0.0736818842 0.0765536512 0.0606725089 0.0197954930 0.0775607930 0.1155249337 0.0084060633 0.0299455344 0.0907041343 0.0085669375 0.0878443960 0.0546452977 0.0128069406 0.1547328914 0.0936327317 -0.0384396829 0.0039284774 -0.0353391323 -0.0364979528 -0.0228803082 -0.0807696010 -0.0215680868 -0.0243768699 0.0365300854 -0.0077694621 0.0355548185 0.0025149818 -0.0848793378 0.0777387652 0.0779252317 -0.2675938740 0.0793073534 0.0554746027 0.0017467119 0.2721995053 -0.0234266339 -0.1262942429 -0.0176958156 -0.1273976804 0.0878264314 -0.0559348702 -0.1927854707 0.2526660320 -0.0668493753 -0.1811314711 -0.0030350765 -0.2376801964 -0.1038031399 0.1590839631 0.0409239194 -0.1770826908 0.2508687199 -0.0165056826 -0.0585329670 0.2262334439 0.1748147954 -0.0400088065 0.0067848690 0.0391439191 0.0010940610 -0.0471129161 -0.0500863831 -0.0647313510 -0.0632718518 0.1410221285 0.1327330476 -0.1766571531 0.0348174657 0.2214875810 -0.1977605890 0.1287572485 0.1294511464 -0.2307640911 0.0103419449 0.0848060327 -0.2617358199 -0.0507619336 0.0557369752 0.0382081180 0.0350173397 -0.0577635315 0.0575602833 -0.0689839317 0.1120115756 0.1124696169 0.1124900016 0.0478734219 0.1375646385 0.0544875161 0.0054988892 0.1456073965 0.0635855272 0.0279105143 0.1690968981 0.0616690549 -0.0237537928 0.1015893060 0.0140872517 -0.0961049896 0.0712532448 -0.0311139768 -0.0899294187 0.0586449250 -0.0301891260 -0.1177432835 0.0825991562 -0.0429673547 -0.1004220591 0.0408165192 -0.0431025607 -0.1144151378 0.0012638919 -0.1011587261 -0.1181545317 0.0964559729 -0.0489499186 -0.0581556198 -0.0122633339 0.0251022719 -0.0348349498 0.0339563812 0.0795520463 -0.0423107041 -0.0586737131 0.0364809783 -0.0549531567 -0.0750249699 0.0060219029 -0.0059635427 -0.1119813263 0.0441918363 -0.0790815114 -0.1208127529 -0.0412362682 -0.0849566960 -0.0416494753 -0.0093595552 -0.0699597737 0.0005210981 0.0342391199 -0.1314741163 -0.0124836138 -0.0469120829 -0.0775746275 -0.0859955816 -0.0274400123 -0.0661860776 0.0558611349 0.0162633477 -0.0795387066 0.0945292343 -0.0123727667 -0.0364248927 0.1325208993 -0.0048631199 0.1145172545 0.1800418822 0.0347281986 0.0105837546 0.0029739867 0.0541098500 0.0275890638 -0.0947910725 0.0535645577 -0.0387080512 0.0187168567 0.1462536428 0.0119185258 0.0728931944 0.0320206770 0.0526470688 0.0201138275 -0.0332476289 0.0541129041 0.1085299279 -0.0335648583 0.0878573062 0.0036413793 -0.1056065464 0.0470269768 -0.0579348545 -0.0237087170 0.0787545290 -0.0796232721 -0.0249766122 -0.0073320738 -0.0736931911 -0.0050341882 0.0788644923 -0.1015763533 -0.0278873798 0.0068098191 -0.2481406622 -0.0964987192 0.1674284570 -0.0713475080 0.0415102349 0.0094549335 0.0121391521 0.0044057150 -0.0024867632 -0.0406315561 0.1013437594 0.0050079673 0.0713732924 0.0088553346 0.0280362149 -0.0719494569 -0.0814761414 0.0080169740 0.1171360793 -0.0265660808 0.0240643998 0.1812165317 -0.1299221867 -0.0133759885 0.1968263258 0.0595735137 0.0138622444 0.0323692958 -0.0449110286 0.0443223026 -0.0045592839 -0.0873736804 0.0303137593 0.0503657745 -0.0615591665 -0.0388338077 -0.0016216965 0.0350027086 0.0338079224 0.0196817665 -0.0022163326 0.1169483665 0.0203480407 0.0186257972 0.0239838273 0.0090470944 0.0272512794 0.0232633440 0.0476568659 -0.1217788705 0.0663185794 0.0174299848 -0.2218368663 -0.0601106568 0.1238547064 -0.1455885871 0.0698508408 0.0014294987 -0.0615402229 0.1288773454 0.0493211126 -0.0305717287 0.0442529104 -0.0248990043 -0.0689070839 0.0740223534 -0.0866079406 0.0029005819 0.1067906216 -0.1799187055 0.1475763193 -0.0004864604 -0.1969171286 -0.1004495907 0.1338583889 0.0721545052 0.0322882133 0.2714169872 0.2432188514 0.1629492732 0.0303347756 0.1908183985 -0.1501895475 0.1482463018 -0.0902113519 0.1092811702 -0.0348757292 0.0285496912 0.0309368320 -0.0382267713 -0.0090722742 0.0430405976 -0.0711417085 -0.0061774655 0.0406821979 -0.0395042164 -0.0222806847 0.0051092070 -0.0609416093 0.0097670064 -0.1158709499 -0.0387085905 0.1238281102 -0.1100784222 -0.0701793571 -0.0270480646 -0.2108280811 -0.0652667943 -0.0131278662 -0.1249684366 -0.0740637193 -0.0531936360 0.0166365374 -0.1191803752 -0.1460525539 0.0109220247 -0.0550422353 -0.0183411023 0.0874344779 -0.0589945601 -0.0349219071 0.0744421117 -0.0875351238 -0.0169434886 0.0777837466 -0.0589813493 -0.0252016527 0.1018089582 -0.0146023858 -0.0549168479 0.0818592498 -0.0129547192 -0.0827242140 0.0544239477 0.0014536587 -0.0595600070 0.1138618403 -0.0438689744 0.1133792461 0.0519972908 -0.0569618677 0.1117327745 0.0435102593 -0.0350836562 0.1243875570 0.0768896811 -0.0536650091 0.1100930173 0.0489813105 -0.0089098125 0.1028516702 0.0247396915 0.0540695125 0.1433147858 -0.0084715394 -0.0423581204 0.1301707900 0.0543001645 -0.0061670903 -0.0057195385 -0.0131568240 0.0332634413 -0.0283115181 -0.0382302272 0.0285895292 -0.0226761610 -0.0340960827 -0.0702727545 -0.0377610518 0.0162204256 0.0089647837 -0.0044628114 0.0284413034 0.0309588976 0.0179587282 0.0343113064 0.0047496617 -0.0161006901 0.0568904481 0.0053175986 -0.0024753984 -0.0100165441 0.0147248310 -0.0015004580 -0.0186759652 -0.0183681152 -0.0070282654 -0.0159799276 0.0239837521 -0.0038933777 -0.0218145162 0.0436989779 -0.0001640699 -0.0308592149 0.0160709697 0.0105110057 -0.0257633193 0.0261341333 -0.0359259496 -0.0057155408 0.0417786352 -0.0707239047 0.0464249663 0.0013675916 -0.0770562194 -0.0463138993 0.0413302424 0.0244232647 0.0013551069 0.0987277250 0.0972502120 0.0577432668 -0.0103651590 0.0743322972 -0.0727230677 0.0487355216 -0.0490437198 0.0257813635 -0.1168594162 -0.0469010295 0.0164210130 -0.0112991249 -0.0245858167 0.0188956983 0.0344322176 -0.0028972654 0.0250040190 -0.0900410403 -0.0587788801 0.0066925760 0.0048669768 -0.0378477263 0.1539177225 0.1033656802 -0.3612176975 0.1530288903 -0.1015595031 0.0379512048 0.4694541560 -0.0106115128 0.1136136895 0.0253647993 0.0345825500 0.0774337747 -0.0942417595 0.0168635702 0.3313687786 -0.0989613179 0.0855543944 0.0046779658 -0.3241099329 0.0286978388 -0.0427953317 -0.0622851882 0.0671943626 -0.0966568402 -0.0285840004 -0.0544945118 -0.0818882766 -0.0758959892 0.0784021470 -0.0173541194 -0.0550303625 0.0973032796 -0.0024236191 -0.0637480668 0.0679745125 -0.0298104299 -0.0506963295 0.0208035844 -0.1281902077 -0.0050264557 0.0524364836 -0.1092939883 -0.0212863401 0.0357754518 -0.1859339410 0.0195288766 -0.0408262763 -0.1169201789 0.0072015847 0.0232374091 -0.0912716349 -0.0196030665 -0.0207124656 -0.1166694165 -0.0009802690 0.0822346166 -0.0981951604 -0.0297493125 0.0072857637 0.0055117067 -0.0278587894 -0.0549887780 -0.0085091742 -0.0461093674 -0.0141693281 0.0801555928 -0.0315588056 -0.0040045786 0.0068863062 0.0156384082 -0.0397187009 -0.0136740055 0.0671908787 -0.0245332963 0.0601716948 0.0730378641 -0.0913262941 -0.0264165124 0.1281267542 -0.0326121499 -0.0822280362 0.0392643011 -0.0636885359 -0.0221118218 0.1797592371 -0.0206915471 -0.2562403582 0.0465914421 -0.0146550482 0.0018291099 -0.1423374202 0.0557449064 -0.0704321007 -0.3035529493 -0.0865994125 0.1743247834 -0.1886594728 -0.0175385573 -0.0392599348 -0.0258792112 -0.0351386501 -0.1043821583 0.0964873448 -0.0873543091 -0.1144842753 -0.0843631681 0.0970711055 0.1071691723 0.0319656634 0.2944363709 0.3039573789 0.1589333291 -0.0233501829 0.2400475438 -0.1716416139 0.1133020110 -0.1006295511 0.1556718182 -0.1012469757 -0.0099273767 0.0184091890 0.0073687873 0.0000920952 0.0303518294 0.0710558066 0.0071049601 0.0353085130 0.1039734955 0.0375073733 -0.0081505627 -0.0121245180 -0.0028402058 0.0534879557 -0.0500768533 -0.0084278551 0.0492398518 0.0012981340 -0.0010494542 0.0453987822 -0.0038314030 -0.0032590999 0.0894850530 0.0087523796 -0.0004703820 0.0197755650 0.0509885283 -0.0020956374 0.0259105207 -0.0085002038 -0.0004713530 0.0355171800 -0.0012735026 0.0066566803 -0.0341983597 0.0114097170 -0.0138233204 -0.0188077854 0.0095975127 -0.0059106966 -0.0811213579 -0.0290071289 0.0666683085 -0.0327264799 -0.0194350582 0.1213989706 0.0068361228 -0.0490677957 0.0773439102 -0.0830025747 -0.0381632018 0.1674649266 0.0048655786 -0.0687409332 0.2159017193 -0.1116560881 -0.0421956219 0.1511214216 -0.0118270904 -0.0078645488 0.2679953446 0.1071570760 -0.0199806488 -0.0143705461 0.0463624912 0.0117740685 -0.0745794286 0.1709826989 -0.0399698109 -0.1137219058 -0.0588721795 -0.0186794771 -0.0032542449 0.0560542939 -0.0091838826 0.0375976206 0.1041676156 -0.0102722346 -0.0722396176 0.0666780445 0.0412163024 0.0343061173 -0.0293433913 -0.0648668815 0.0008458014 0.0477389893 -0.0967499133 0.0753201269 0.0423730525 -0.1025609108 -0.0097775932 0.0967371747 -0.0523752283 -0.0919504977 0.0991423820 -0.1238067501 -0.0259974585 0.2927870972 0.0148219684 -0.3044929249 0.1218018003 -0.0421568051 0.0002871097 -0.0985867336 0.0090604582 -0.0826756277 -0.2621615324 -0.0927813303 0.1787072065 -0.1383993400 -0.0457750482 -0.0237721988 -0.0188209462 -0.0607320286 -0.0604522999 0.0529019909 -0.0917795507 -0.0659599553 -0.0471113969 0.0346714131 0.0636705722 0.0223360518 0.1848427782 0.2056507514 0.1092287535 -0.0628430643 0.1580339817 -0.1183590642 0.0482069314 -0.0974485796 0.1087145885 0.1605498266 0.0711612493 -0.0325733394 -0.0096787590 0.0075146493 -0.0150972124 -0.0344132716 -0.0429762085 -0.0227359758 -0.0495899389 0.0158559865 -0.0015429089 0.0283129676 0.0138997043 -0.0479213438 0.0296554290 0.0500917256 -0.0459518523 0.0263024404 0.0022461008 -0.0785797835 0.0285988722 0.0080719959 -0.0444103152 0.0292966060 -0.0069170016 -0.0115781118 0.0137578848 -0.0246318572 -0.0136960344 0.0443822864 0.0026549331 -0.0013396656 0.0300444831 -0.0200823141 0.0055358373 0.0334692146 -0.0075528214 -0.0145607101 0.0222711765 -0.0121100175 0.0353374791 0.0240999591 -0.0718611783 -0.0028800480 -0.0134078943 -0.1477134143 -0.0329655468 0.0672482208 -0.0596578438 0.0371224111 -0.0078152554 0.0418171042 -0.0091559776 0.0060378141 0.1290812498 -0.1736137085 0.0195233418 -0.0744082309 0.0301582598 -0.0882784727 0.1782754871 0.1311419930 0.0385915867 -0.1103658962 -0.0028292747 0.0340064238 -0.2055318981 0.1618061427 0.1045241779 -0.2261440248 -0.1289181596 0.0098203570 0.0055275870 -0.0343845512 -0.0661806821 -0.0006854680 -0.0440839116 0.0100589747 0.0609824577 -0.0504419945 0.0324335727 0.0321976581 -0.0024944243 0.0040338033 0.0340617186 0.0468806925 0.0407946311 0.0519953485 0.0566428505 0.0375661527 0.0091983587 0.0829651011 -0.0070940254 0.0998295775 -0.0166762463 0.0435535478 0.0744854613 -0.1141095882 -0.0708279938 0.1865561809 -0.0351254611 0.0313362897 0.0551084379 0.0483947933 0.0453747215 0.1046020511 0.1141192349 0.0678001122 0.0035047877 0.0680797107 0.0400489716 -0.0134417033 0.0084338383 0.1021907527 -0.0407568001 0.0231168788 0.0126991134 -0.0484266004 -0.0219499218 0.0049332176 -0.0221877864 -0.0097738400 0.0422648733 0.0200976654 0.0203834907 -0.0706617536 0.0023529569 -0.0297922528 0.0167802990 -0.0967276106 -0.0326478928 0.1063059083 0.0856256958 -0.0104620103 -0.0644724835 -0.0267330963 0.0289305632 -0.0587571622 -0.0506656814 0.0254519713 0.0737429004 0.0307712993 -0.0283410561 -0.1365246727 -0.0524896761 0.0485858128 -0.0411352510 -0.2394383125 0.0513636919 -0.3008407589 -0.0409561471 0.2370831089 -0.1449216348 0.1303043795 -0.0629316873 -0.0537232687 -0.0534785620 -0.0537233801 -0.0705115279 0.0589330824 -0.0572100401 0.0211447734 -0.0661869204 -0.1534380333 -0.0521928846 -0.1538522276 -0.0323117178 -0.0023770782 -0.2382553356 0.0364904194 -0.1294677499 -0.2164684844 -0.1176736525 -0.0134607717 -0.0145624874 -0.0184341731 -0.0197996425 0.0509521665 0.0420496092 -0.0308232241 0.0045240927 -0.0855625571 0.0320676961 -0.1333129179 -0.0273341258 0.0517917548 -0.2545761092 0.2273665328 -0.0055023871 -0.0003223520 -0.0879567785 0.1207661812 -0.3404445108 -0.2399158226 -0.0563146012 0.1457314641 -0.0353037299 -0.0871526433 0.2792221657 -0.2893183233 -0.1266245990 0.3263632233 0.1641493229 -0.0186613602 0.0117805925 0.0163746987 0.0706443141 -0.0142898762 -0.0116420695 -0.0259967475 -0.0134016709 0.0286359245 0.0530188384 0.0109585845 0.0625920113 -0.0061110842 -0.0238915558 0.0030851362 0.0009667783 -0.0554401231 0.0042748895 -0.0182026848 -0.0081259891 -0.0254942116 -0.0025087168 -0.0366453448 0.0073820875 -0.0095906385 -0.0237559819 0.0384470423 0.0080930900 -0.0687017434 0.0106367879 -0.0162359180 -0.0150119762 -0.0254540449 -0.0210187026 -0.0367720656 -0.0547876302 -0.0281228505 0.0116165510 -0.0342521848 -0.0202907134 0.0172808293 -0.0021878189 -0.0540233355 0.0330159406 -0.0116368801 -0.0115161950 0.0374959603 0.0200314352 0.0094236252 0.0138580263 0.0136320583 0.0050116466 -0.0043432881 -0.0064972290 0.0427156527 0.0022413037 0.0235087218 0.0040393684 0.0406957860 0.0353609443 0.2246355794 0.0714556855 0.0552716822 -0.0082312441 -0.0009909385 0.0416974304 -0.0489596225 0.0090828940 0.0408565136 -0.0977995195 -0.0545288397 0.0696274311 -0.0725515249 -0.0114831121 0.0648599375 -0.1488393334 -0.0319434388 0.0564821493 -0.0914875103 -0.0212041251 0.0546611705 -0.0503514677 0.0390171655 0.1395189877 0.0136678337 -0.0363416909 -0.0062145547 0.0925859881 -0.0314417572 0.0053044359 0.0105051218 -0.0251790488 0.0243437460 -0.0032875409 -0.0610922427 -0.0946219966 0.0286251867 -0.1064046868 -0.0647748401 -0.0088884763 -0.0885316233 -0.1639103403 -0.0243118848 0.0222582986 -0.0924731656 -0.0160686618 0.0744002392 -0.0527956146 -0.0247187234 0.0504956038 -0.1470257422 0.0694499277 -0.0207411794 -0.0138440563 0.0465339610 -0.0640006608 0.0572428371 0.0328586788 0.0685886082 -0.0852811920 0.1794614863 -0.0666526980 -0.0627351629 0.0113247302 -0.0105724123 0.0329568982 0.0031978270 0.0042480631 0.0015252683 -0.0337636657 0.0004144130 0.0461348950 0.0237463664 -0.0423846684 0.0666564669 0.0715376981 0.0050315169 0.1253650785 0.0403362744 -0.1508903334 0.0825368712 -0.0381607702 -0.0433809864 -0.0582542822 -0.0122669850 0.0413414109 0.0606534601 -0.0417304123 0.1129004138 0.0545117683 0.0741492555 -0.0125864629 0.1308602852 -0.0210446239 0.1301377546 0.0787558755 0.0055763797 0.1414124839 0.0730686774 -0.0312326519 0.1262495420 0.0770324226 0.0357440411 0.1207794218 0.0612086515 0.0845707692 0.1502431731 0.0704939277 0.0814636991 0.1449809140 0.0771719582 0.0544056165 -0.0370173690 -0.0004730704 0.1963764690 -0.1097770884 0.0511650513 -0.0234143189 -0.1293406890 -0.0773324788 -0.0033802611 -0.0315390941 -0.0316166957 0.1970219131 0.1707284327 0.0999394233 -0.2853683329 0.0914773741 -0.1630494948 0.0400188247 -0.3487167391 -0.0513633057 0.0080319479 -0.0680977190 -0.0574308163 -0.0743823942 -0.0651569129 -0.0453347066 -0.0208452978 -0.0925082877 -0.0453556816 -0.0485584637 -0.0313949298 -0.0119749203 0.0029557828 0.0134363389 0.0283773304 -0.1594374602 0.1562376297 0.0173912464 0.1379519792 -0.0027187478 -0.1455295180 0.0326465213 -0.1042823575 0.2062305480 0.0121151580 -0.0008041308 0.0376258803 0.0813882693 -0.0666615226 0.0489466309 -0.0421920031 0.0126859434 0.1190613922 0.0009475558 0.0523374378 -0.0378450908 -0.0185897356 0.0806033914 -0.0611731330 0.0482038930 0.0781656150 -0.0185503137 -0.0236850001 0.0114046058 -0.0491259461 -0.0265542009 0.0014768224 -0.0654159092 -0.0818110969 -0.0433529034 -0.0333911096 -0.0609333177 0.0676981713 0.0102028287 -0.0832379294 0.1190070224 -0.1081223289 -0.0276442723 0.0062631506 0.0802663447 -0.1385507629 0.1523351947 0.0980438801 0.0175447116 -0.0360006356 -0.0249179891 0.0536273411 -0.0746202349 0.0650301508 0.0523509348 -0.0894288774 -0.0837594254 0.0013403224 -0.0109669797 -0.0654089135 -0.0437117086 -0.0655828270 -0.1316785965 -0.0054852966 0.0954773300 -0.0887621128 0.0169138506 -0.0084419707 0.0873049028 0.0146101674 -0.0325612459 0.0613588118 0.1188201762 -0.0279302669 0.0872629573 -0.0153758706 -0.0377126421 0.0919382259 -0.0098599756 0.0277493304 -0.1064355565 0.0961623237 0.0008044424 -0.2648020906 -0.1401660453 0.1682444393 -0.1435235839 -0.0263581855 -0.0089652817 -0.0157137149 -0.0314988139 0.0271784773 0.0447362793 -0.0357341951 -0.0851038955 -0.0119973974 -0.0325219808 0.0025938398 0.0095317055 -0.0458083236 0.0062234832 0.0101863077 -0.0373181029 0.0063685470 0.0177194487 -0.0208951971 -0.0057229399 0.0177644992 -0.0274752177 -0.0211940255 0.0022441587 -0.0069631519 -0.0165473203 0.0324920551 -0.0233945770 0.0095991462 0.0227374904 -0.0007940216 0.0479397318 0.0825019404 -0.0184634016 -0.0332646471 0.1058296160 0.0208105943 -0.0071175032 0.1114563597 0.0525674549 -0.0363834090 0.0224357977 0.0080686475 0.0156235318 0.0438987041 -0.2777767715 0.2489588084 0.0239265023 0.2387077512 -0.0101240064 -0.2483491637 0.0609154129 -0.1815546501 0.3542910489 0.0307292427 -0.0070138636 0.0478939044 0.1393240105 -0.0979956721 0.0649847090 -0.0436726216 0.0145197889 0.1663313644 0.0105690489 0.0563073849 -0.0650334425 -0.0071693909 0.0870489563 -0.0953457365 0.0689071252 0.0877494833 -0.0420425420 -0.0078675931 -0.0058853894 -0.0740776422 0.0142622231 -0.0461327837 -0.1309771611 0.0116218036 -0.0179339660 -0.0253724275 0.0459220600 0.0081326667 -0.0060002374 0.0560595896 0.0069703271 0.0007276795 0.0234090371 0.0230918675 -0.0612734059 0.1018844494 0.0144727406 -0.0006478837 0.0003495633 -0.0159337264 0.0398179644 -0.0217980915 -0.0376620946 0.0641855562 -0.0042084876 -0.0431814108 0.0101298851 -0.0032007670 0.0136873659 0.0499732316 -0.0033883175 0.0547088920 0.0994727807 0.0141630952 -0.0555389758 0.0542286000 -0.0447628115 0.0205070671 -0.0546447624 -0.0345023244 0.0295414347 0.0290096552 -0.0141650386 0.1157578103 0.0367215747 -0.0599058269 0.0001660400 0.1139209939 -0.0160992434 -0.0392423315 0.0068531515 -0.0692451544 -0.0624183906 0.0181576088 -0.0090870757 -0.0651185841 0.0078613889 0.0462376702 -0.0611822441 0.0006273694 0.0250548736 -0.0522115068 0.0270928882 0.0738228844 -0.0700617293 0.0138504442 0.0502974459 0.0030501488 -0.0114236162 -0.0290691568 0.0320612079 -0.0200003381 0.1043613382 0.0452287447 0.0119777819 0.0938881483 0.0431741999 0.0071770057 -0.1878648660 -0.2047830828 -0.1321079190 0.4667589752 -0.1029523881 0.1505441753 0.0367108525 0.4701591367 0.0201105655 -0.0248143314 0.0209406969 -0.0583183793 -0.0713636572 -0.0195250116 -0.0275598988 -0.0587249404 -0.0540227788 -0.0315562024 -0.0302037380 0.0394568597 -0.0277220543 -0.0832910839 -0.0197949096 0.0466829717 -0.2858511904 0.1146695346 0.0309813713 0.0451045729 -0.0407939475 -0.1349797535 -0.0416114701 -0.1146942449 0.2674477487 -0.0365308161 -0.0386561064 0.0227266636 0.0124266155 -0.0658829631 0.0308758798 -0.0634557758 -0.0286282178 0.0693705105 -0.0325130244 -0.0059379326 -0.0035215542 -0.0626562626 0.0057023976 0.0081109381 -0.0167816247 0.0057223179 0.0123163614 0.0421081536 0.0014912505 0.0041532765 0.0858558290 0.0105960336 -0.0365482991 -0.0038816800 -0.0567407751 0.0412760899 -0.0448486797 0.0159502814 0.0081747722 -0.0332728683 0.0261514234 -0.0064164074 -0.0282769945 -0.0122481990 0.0446091678 -0.0925439922 0.0213506654 0.0148392145 -0.0173311834 0.0257401446 -0.0173251627 -0.0078187345 0.0328943082 -0.0234632317 -0.0147097196 0.0349317744 -0.0073770038 -0.0109027005 0.0213698191 -0.0124839912 -0.0096587793 0.0189144602 -0.0160344827 -0.0309974082 0.0414324856 -0.0017592261 0.0313843255 0.0149313744 -0.0081713284 0.0301645486 -0.0123463579 -0.1112873435 -0.0589130289 -0.1453441483 -0.1366242964 0.0621899918 0.0416806917 -0.2550325779 0.0330487300 -0.0141453256 0.0369927767 -0.0103274590 0.0178102597 0.1405957128 0.1338043917 -0.0836285980 0.0659098857 -0.0305365767 0.0264162169 -0.0019029114 -0.0199091900 -0.0097769950 -0.0639426477 -0.0634900258 0.0715134347 -0.0205794738 -0.0350916431 -0.0000223092 0.0073311349 0.0120311275 -0.0114984142 0.0023883248 -0.0603297556 -0.0192309672 -0.0029573347 -0.0743124321 -0.0305227942 -0.0104736188 0.1320048369 0.1549837828 0.0965496217 -0.3539603622 0.0794334145 -0.1180661924 -0.0311116488 -0.3490695659 -0.0262558329 -0.0013390667 -0.0181382154 -0.0040415646 0.0749078149 0.0540968401 -0.0407420670 -0.0006099480 0.0672338265 -0.0434115014 0.0271797872 0.0315251943 0.0019772424 -0.1185467625 -0.0395882121 0.0484086798 -0.3518889064 0.1127361185 0.0297061040 0.0288987940 -0.0636756972 -0.1609271595 -0.0707630011 -0.1496172446 0.3008016201 -0.0691693661 -0.0570720797 0.0265717492 -0.0340415222 -0.0814661461 0.0321737884 -0.0931205849 -0.0471088302 0.0698567116 -0.0534285784 -0.0205462708 0.0303209279 -0.0837736497 0.0014540450 0.0349708039 -0.0436723288 -0.0041898657 0.0644465970 0.0709406377 -0.0186839298 0.0531411742 0.1998753802 0.0309985851 -0.0125859213 0.0867320912 -0.0402330967 0.1166493679 0.1769342430 -0.0148172094 -0.0290446196 0.2302853609 0.0013721031 -0.0211122131 0.1103980559 -0.0049531178 -0.2014069280 0.3240436553 0.0112121417 -0.0061407526 0.0443476337 -0.0669399173 0.0939185950 -0.0034820706 -0.1103051466 0.1395753926 0.0551410589 -0.1255361018 0.0287918112 0.0067284175 -0.0430992179 0.0383185024 -0.0276576998 -0.0012089693 0.0848204801 0.1080906566 -0.1511894755 -0.0119820008 -0.0124843955 0.0341658389 -0.0339763580 0.0527865319 0.0338620166 0.0849986760 0.1683755013 0.1908214571 0.1186105775 -0.0874366748 0.0082145841 0.2290930537 0.0201735146 -0.0315194072 -0.1175996433 0.1070088219 -0.0517623583 -0.2441873679 -0.1242559053 0.0724591477 -0.1561355016 -0.0522358015 -0.0435619008 -0.0485701953 -0.0672090053 -0.0435778260 -0.0344909716 -0.1191257138 -0.1022208022 -0.0706177616 -0.0798761133 0.0115098468 0.0292622758 -0.1129936530 0.0325113352 0.0102713076 -0.0757283492 0.0314931628 0.0539180696 -0.0986594172 -0.0182334723 0.0296969226 0.0120835809 0.0769520380 0.0815105340 -0.2678863119 0.0363414496 -0.0145828429 -0.0730067145 -0.2000984912 0.0088747247 -0.0505806300 0.1232564562 -0.0333590346 0.1465632652 0.0636078948 0.0396656653 0.1080901757 -0.0208775065 0.0268505629 -0.1644288790 -0.0562431184 -0.0699963185 -0.0094145213 -0.0034702747 -0.0071802050 0.0599786716 -0.0407381063 -0.0022486849 -0.0830975935 -0.0102569463 0.0427626683 -0.0209762378 0.0571675434 -0.0842225273 -0.0029603528 -0.0212722582 0.0189281677 0.0024291075 -0.0490547324 0.0192391611 -0.0049836479 -0.0102202839 0.0478079746 -0.0024241503 -0.0051649790 0.0066757861 -0.0023639041 0.0206644153 -0.0227486264 0.0234501314 0.0091554283 0.0147603041 -0.0146692598 -0.0142212979 0.0123969428 0.0650532601 0.0431133387 0.0120066685 0.0593153065 0.0445950681 0.0138200685 0.0687423041 -0.0178759189 -0.0268210961 0.3719972233 0.2023718207 -0.2781299690 0.1387677624 -0.5272355223 0.0141775014 -0.2900602487 0.1945256604 0.1962999923 0.0159689279 0.0244379217 0.0013488175 -0.0278567645 0.0046219892 0.0081316679 0.0450566558 0.0115196359 -0.0134410731 0.0067534297 0.0195525320 -0.0127042869 0.0174524910 -0.0046408324 -0.0409847845 0.0359837240 0.0217416614 -0.0351812845 -0.0236212127 -0.0054659735 0.0199875316 -0.0052953731 -0.0044959513 -0.0328050429 -0.0331836480 -0.0666154955 -0.0413204053 0.0172555384 0.0145648640 -0.0911110199 0.0022202701 -0.0018846827 0.0211564199 -0.0230749552 0.0026004848 0.0553826799 0.0410901282 -0.0277958336 0.0317032372 0.0056460200 0.0038420179 0.0069616677 0.0035200190 -0.0019385572 -0.0008098319 0.0124495557 0.0162404487 0.0086228859 0.0091474950 0.0015305121 -0.0051335980 0.0127981218 0.0016291446 -0.0072057473 0.0112423919 0.0023002156 -0.0053959666 0.0104707576 0.0005501875 -0.0059174459 0.0161535935 0.0035508614 -0.0055834364 0.0093553735 0.0022324251 -0.0084987221 0.0107110326 -0.0038472924 -0.0019578236 0.0038810069 0.0054253952 0.0189622820 -0.0132305014 0.0091662005 0.0027655764 -0.0343832928 0.0302527427 0.0043902601 -0.0692910108 -0.0309787918 0.0136276914 0.0263667919 -0.0018668543 -0.0012964427 -0.1568222503 0.1015119650 -0.0151452956 0.2210028163 0.0127157610 -0.1443472230 0.0549832784 -0.1695444312 0.1918660971 -0.0008732560 0.0424161453 -0.0449649062 -0.0393655350 0.1211774817 -0.0517302368 0.0354619139 0.0184204530 -0.1372466577 -0.0006589307 -0.0239623691 0.0039153341 0.0317518241 -0.0619273271 0.0243177931 -0.0614404766 -0.0546468751 -0.0126583626 -0.0055817971 -0.0040723613 0.0078049052 -0.0328844167 0.0033226989 0.0402980174 -0.0045520279 0.0104761991 -0.0186203824 0.0176497534 0.0006131269 -0.0144473563 0.2042125221 0.1443349916 -0.1876371031 0.0724915543 -0.3335977951 0.0363344762 -0.2360229976 0.1419748776 0.1346458809 0.0024247754 0.0239602660 -0.0098000724 -0.0154997468 0.0164132847 -0.0079613871 0.0108004479 0.0205963170 -0.0136302618 0.0062288140 0.0122365573 -0.0018723366 0.0288096638 0.0039796290 -0.0106300066 0.0075798803 0.0058445697 -0.0009201631 -0.0094413495 -0.0085981780 0.0080504247 -0.0061382929 -0.0028657201 -0.0167933435 -0.0245860410 -0.0309239015 -0.0222547793 0.0144155538 0.0035619930 -0.0437788572 -0.0035121667 0.0083530374 0.0157722167 -0.0157009203 0.0153831817 0.0412959888 0.0217996729 -0.0126068616 0.0226412028 0.0030041818 0.0132779813 0.0003506278 0.0181119629 0.0112924943 -0.0138106249 0.0025995991 0.0330281656 -0.0018168950 0.0062413638 -0.0125630287 -0.0014760143 0.0218999637 -0.0261672830 0.0137825782 -0.0058122822 -0.0289055095 -0.0161685162 0.0051481669 0.0023913106 -0.0034216476 -0.0314336868 -0.0205855898 -0.0099951424 0.0469193159 -0.0095207676 0.0048747609 -0.0011005434 0.0519966830 -0.0064152775 0.0018746197 -0.0163736061 0.0086428092 -0.0158448313 -0.0032566332 -0.0044009690 -0.0248348631 0.0060150834 -0.0035042501 -0.0227953241 -0.0108462976 0.0136142968 -0.0289907336 0.0076222402 -0.0003357186 0.2757091264 -0.1252086962 0.0238846139 -0.3419650718 -0.0251255678 0.2035187602 -0.0777987391 0.2670589044 -0.3185111872 0.0068177366 -0.0779042667 0.1034187407 0.0801240490 -0.2387267582 0.1162734722 -0.0581120974 -0.0319963617 0.2747932621 0.0004477256 0.0548827746 -0.0018877508 -0.0595928969 0.1203855167 -0.0357147017 0.1215609327 0.1110359779 0.0180368440 -0.0092248692 0.0161239582 -0.0173847903 0.0389328840 -0.0015038375 -0.0787521308 -0.0205109724 -0.0217577709 0.0352165782 0.0001182307 -0.0016259855 0.0003843269 -0.0178720225 -0.0127034763 0.0126404599 -0.0027698265 0.0269445181 0.0009601859 0.0181417783 -0.0127713147 -0.0113905975 0.0077626816 -0.0056103296 -0.0050326890 0.0158590203 -0.0016566269 -0.0069830860 0.0071636818 -0.0032758780 -0.0024277361 0.0059083595 -0.0170170868 -0.0124567429 0.0056621793 -0.0238536959 -0.0212451847 0.0092713261 -0.0088990210 -0.0168146264 0.0202529883 -0.0080898126 0.0085851750 0.0265106246 0.0206907262 0.0019558514 0.0184418186 0.0261698196 0.0000805022 0.0417939900 0.0152004140 0.0032711144 0.0040123009 0.0615272817 0.0106111348 0.0270008365 0.1164023741 0.0882737925 0.0326624939 -0.0136063735 0.0197881088 -0.0157341500 0.1029316412 -0.0726458906 0.1650396471 0.0836451062 -0.2301497351 -0.1334147480 0.2599699283 -0.1382117690 -0.0210676135 -0.1349040551 0.0414126528 0.1172486232 -0.2695337152 0.2003673710 -0.1633916965 -0.3065019624 -0.1032904101 -0.0831100753 0.0069565773 0.0107032868 -0.4270175999 -0.1703395675 -0.0030166862 0.2125214415 -0.0794858643 0.0739959686 -0.1267943276 0.4050542973 -0.0888227309 0.0101985433 -0.0130091334 0.0124495775 0.0501748139 0.0210211324 -0.0011890757 0.0393715339 0.0229623951 -0.0010859472 -0.0044262750 -0.0244706912 0.0017703234 0.0031465191 -0.0023358466 -0.0018582209 -0.0244959052 0.0099585439 -0.0041489731 0.0347614877 0.0015131123 -0.0211526176 0.0070472681 -0.0300087560 0.0259339175 -0.0037968531 0.0075114147 -0.0090055554 -0.0138890073 0.0232193918 -0.0109362376 0.0037105950 0.0030662022 -0.0266374274 -0.0023719946 -0.0076438874 0.0038438323 0.0085445269 -0.0108051110 0.0000641651 -0.0145114123 -0.0118426340 0.0050679175 -0.0036960766 -0.0084408646 0.0077600223 0.0118408335 0.0078685812 0.0143743984 0.0219566944 0.0147372372 0.0036631201 -0.0826940566 -0.0190477768 0.0090588844 0.0664404860 0.0770443341 -0.0917424678 -0.0052443265 -0.2993161066 0.1356686976 -0.3736429882 0.0448295127 0.0807191212 -0.0494150664 0.0849398483 -0.0478480263 -0.0333397182 0.1491499435 -0.1495012053 -0.1159609971 0.1630299597 0.0393428222 0.0158509758 0.0018254670 0.0637193398 0.1514305401 0.0775286332 0.1588782448 -0.0664759214 -0.1330786707 0.1620022226 0.0418050162 -0.0141655071 -0.0700722091 0.0167692256 0.0414388679 0.1288667260 0.1186265627 0.3347819171 0.1614570567 -0.0845120115 -0.0478321113 0.3973855466 -0.0072289196 -0.0048798235 -0.0675125453 0.0660681590 -0.0238118542 -0.1775557144 -0.1445775080 0.0712359538 -0.1044086170 -0.0143905309 -0.0246112464 -0.0235426549 -0.0208837168 -0.0087848282 0.0067055173 -0.0337788904 -0.0718509742 -0.0276273821 -0.0292825693 0.0062783747 0.0176108045 -0.0568255465 0.0185147021 0.0110864076 -0.0238100482 0.0189690981 0.0315134568 -0.0349670654 -0.0012905691 0.0214147563 -0.0301709553 0.0042315353 0.0253361960 -0.0622569399 0.0010619858 0.0253743909 -0.0310699906 -0.0213551980 0.0073058118 0.0422205262 -0.0928298296 -0.0618742062 0.0605845690 -0.0200785603 -0.0390175924 0.0995960730 -0.1167053431 -0.0490310267 0.0564404082 0.0493811192 0.0002431844 -0.0059158661 -0.0023974819 -0.0039701228 -0.0427282480 0.0119294079 -0.0070983145 0.0215316409 -0.0017907689 -0.0284725421 0.0006170856 -0.0234682007 0.0328448610 -0.0039564064 0.0035481948 -0.0138971553 -0.0210358903 0.0281366981 -0.0168902266 0.0115897392 -0.0024696280 -0.0423566966 0.0003687719 -0.0105634517 0.0077254188 0.0033875011 0.0064066718 -0.0142351508 -0.0013606729 -0.0034681406 0.0273450932 -0.0089325604 -0.0235695344 0.0108303764 0.0161564469 0.0154348234 0.0291227451 -0.0064427774 -0.0158157525 0.0008737369 0.0452478759 0.0145463405 -0.0122118993 0.0116318598 -0.0027329286 0.0013525641 0.0161803849 0.0840630614 -0.0718331555 0.1437120586 0.0161117865 -0.0133463956 0.0286510150 -0.0280100318 0.0121705982 0.0062943127 -0.0775112936 0.0835596765 0.1189823526 -0.0789722371 -0.0449598492 -0.0374832627 0.0392811649 -0.1097363726 -0.1928992109 -0.1068892800 -0.2900762132 0.0336684195 0.3023555179 -0.2293691678 0.0167232921 -0.0164850150 0.0286186647 -0.0442741358 0.0990853671 0.0277713405 -0.0399392561 0.3026705667 0.0330884656 -0.1236510421 0.0509936286 0.1862241211 -0.0534915540 0.0097888304 -0.0098361979 -0.0809732224 -0.0146106252 -0.0273049407 -0.0744248041 0.0147794870 -0.0159503772 -0.0160238454 -0.0169105080 0.0092400231 -0.0450910373 0.0044138012 0.0629156178 0.0256217293 -0.0612004206 0.0305071942 -0.0180987176 0.0089108423 -0.0164135672 -0.0420010252 0.0222122305 -0.0263168019 -0.0020687858 0.0288709027 0.0009352401 0.0189731679 0.0030259815 0.0023232582 0.0485475395 0.0013391732 -0.0177589173 0.0372156199 -0.0003674734 0.0017029634 0.0155383952 0.0002868193 0.0461836241 0.0597681384 -0.1716898403 0.0427068722 0.0511032557 0.0818570250 -0.0695973346 0.1145706224 0.1331231579 -0.0566537271 -0.0444414268 -0.0448981569 0.0576234944 -0.1068617134 -0.0190127852 0.0043003031 -0.2322003015 -0.0427492525 -0.0078539641 -0.1955924320 -0.0558220346 -0.0151073408 -0.0651613782 0.1199892266 0.1312843574 0.0258938514 -0.0605722241 -0.0687579820 0.0189827857 -0.0279402205 -0.0689793652 0.0171611559 -0.0683232289 -0.0799196944 0.0624695561 0.0691760795 0.0067597045 -0.0896504568 0.1687868430 0.0133070121 0.1899048470 0.1493565863 0.0826432861 0.0918072675 0.0763134150 0.0249871863 -0.0491392701 -0.0414645106 0.0443102308 0.1526602998 0.1256301832 0.0248871040 0.0265073181 0.0060630453 -0.0083035100 0.0012847598 -0.0124456727 0.0161867165 0.0009567760 0.0740657405 -0.0565847351 0.1091314696 -0.0087873102 -0.0255150180 0.0130340537 -0.0132218489 0.0080878892 -0.0151958138 -0.0525469179 0.0590915037 0.0883971616 -0.0509469061 -0.0334950865 -0.0304266803 0.0462026965 -0.0723720370 -0.1426284854 -0.0434093961 -0.1850250349 0.0094406193 0.2245865498 -0.1465818142 0.0046743729 -0.0128658878 0.0080618344 -0.0539746994 0.0586457279 0.0195786722 -0.0609599511 0.1638672109 0.0207432611 -0.0816685372 0.0314219934 0.0978864802 -0.0643347226 0.0258576993 0.0008700227 -0.0614491627 0.0055215716 -0.0377613481 -0.0897534854 0.0590065473 -0.0076720534 -0.0298777906 -0.0019027679 0.0214072775 -0.0718175671 0.0244239798 0.0930258870 0.0409015510 -0.0550645799 0.0558867436 -0.0248557116 -0.0015430607 -0.0362203525 -0.0264424844 -0.0050117567 -0.0283405624 -0.0227574191 0.0010514068 -0.0331068301 0.0438778303 0.0032991274 -0.0062901211 0.0796674109 -0.0073627943 -0.0413353493 0.1043837939 -0.0051981178 -0.0115889720 0.0337836782 0.0261100751 0.0776802127 0.0623134965 -0.1055649565 0.0239580921 0.0328831789 0.0574800235 -0.0382211845 -0.0592401335 0.0070777946 -0.0481853612 -0.0217580043 0.0014399805 0.0320661130 0.1334318820 0.0143716814 -0.0039694208 0.3149947471 0.0544505161 0.0135774318 0.2666238532 0.0676599868 0.0187559234 0.0728689591 -0.1929278532 -0.1863112320 -0.0626450692 0.0779514230 0.1107224861 -0.0559684014 0.0150932717 0.1104527936 -0.0610286019 0.0912146481 0.1409787709 -0.1043978062 -0.1000006228 0.0148717774 0.1316860701 -0.2730651242 0.0372848931 -0.3050378394 -0.2298774407 -0.1174419770 -0.0965449102 -0.0741918352 0.0010316526 0.1099002964 0.0491541887 -0.0592501381 -0.0560432314 -0.0621996650 0.0393268344 -0.0379791786 -0.0167671740 0.0065534809 -0.0760690908 -0.0220371498 -0.0032422973 -0.0011201227 -0.0166961390 0.1058023034 -0.1176950724 -0.0283246738 -0.0032401036 0.0294123817 -0.0101266068 -0.0495718561 0.0672385207 0.0183379890 -0.0751626266 -0.0255630574 0.0146204509 -0.0210989754 0.0708421850 -0.0880393240 0.0378380033 0.2255799773 0.0175365220 0.1677020335 0.0232687932 -0.3075769858 0.1313121299 0.0408497327 0.0056637407 0.0101537103 -0.0671340730 -0.0148361020 -0.0014341862 -0.1478040195 -0.1074893418 -0.0241815013 -0.0434662309 0.0334835588 -0.1288566303 -0.1064698608 0.0731159570 0.0349876042 -0.0204937899 0.0678179216 -0.0618442144 -0.1299901450 0.1931739293 0.0233408122 -0.1051921323 0.0395574738 0.0724845221 -0.2087047483 0.0945819942 0.2355360726 0.0844047513 -0.0802439413 0.1642621007 -0.0852648799 -0.0365552172 -0.1171974667 -0.0116249549 -0.0992817117 -0.0459229649 -0.1334522353 -0.0920991312 -0.1606124159 0.1212684545 0.0014151476 -0.0349123607 0.2246626323 -0.0262217022 -0.1321984077 0.3361218911 -0.0187514367 -0.0695938369 0.0860207135 0.0905787506 0.2352021147 -0.0216567451 0.0484405267 0.0158280222 0.1142747790 0.0750035692 0.0124086727 0.1201742282 0.0799391594 0.0154445472 -0.0078972650 -0.0566601635 -0.0378380041 -0.0182314473 -0.0046127119 -0.0035743057 -0.0504846693 -0.0122736541 -0.0069162806 -0.0344882598 -0.0117735902 -0.0086792499 -0.0087424588 0.0224024603 0.0255922869 0.0074744120 -0.0110021079 -0.0178156789 -0.0015125518 0.0033339693 -0.0197733428 0.0131245152 -0.0133124922 -0.0277437007 0.0149414242 0.0071680331 0.0055593686 -0.0065620259 0.0460148237 -0.0219063761 0.0441826723 0.0310624142 0.0358923422 0.0042713567 -0.0067145459 0.0142677885 0.0235210388 0.0019623507 0.0232792849 0.0904064937 0.0645004950 0.0109551811 0.0525705106 0.0237588200 -0.0007926376 0.1795628375 0.0592138247 0.0078632056 -0.0112669828 -0.0405379410 -0.1888485802 0.1591340955 0.0509219080 0.0245061036 -0.0805905011 0.0360803632 0.0989902908 -0.0878349373 0.0707755550 0.0330964508 -0.0874889805 0.0688562562 0.1322149921 -0.1091934774 0.0583390442 -0.0212646131 -0.3118049931 -0.0383099689 -0.1442137239 -0.0525407176 0.2995258387 -0.1290983120 0.0277964392 -0.0052512331 -0.0341440288 0.0345828981 -0.1077310893 0.0329550153 0.0223699875 -0.2028707637 0.0270905470 0.0929658673 -0.0852499406 -0.0522053421 0.0117395358 0.0203084397 0.0195313261 0.1282132138 0.0489914877 -0.0456906088 -0.0232506067 0.1058110219 0.0075321444 -0.0560952164 0.0318554718 0.0289196919 -0.1063469335 0.0412435037 0.0824688713 0.0157946218 -0.0192098955 0.0640106213 -0.0517561742 -0.0292464623 -0.0518118115 0.0170601982 -0.0832270190 0.0058505992 -0.1025452863 -0.0864229943 -0.0965616116 0.0404550025 -0.0039216353 -0.0160370458 0.0853544707 -0.0141735832 -0.0561455739 0.1456512630 -0.0105231078 -0.0382399805 0.0234714831 0.0413360612 0.1104484733 -0.0018737091 -0.0073402284 -0.0353763255 0.0325802272 -0.0738317994 0.0307566226 0.0282844778 -0.1663379757 0.0166634775 0.0358307944 0.0707878470 0.0068471545 -0.0117901790 0.0076469583 -0.0088660036 -0.0647518366 -0.0109852592 -0.0145514673 -0.0631519374 -0.0109951388 -0.0129741852 0.0050533863 0.0788384285 0.0344209479 0.0437816884 -0.0149137021 -0.0398259537 0.0273668770 0.0333306826 -0.0430414097 0.0641893450 -0.0233345020 -0.0792975705 0.0446961175 0.0294747477 -0.0132530350 -0.0471309561 0.2163310704 -0.1810854274 0.1757612373 0.1532613561 0.1749898724 -0.0722124924 -0.1356162733 -0.0216146179 0.0345683494 0.0413723964 0.0533780272 -0.1871456370 -0.1984398392 -0.0757601663 0.0351470686 0.0196595473 0.0038413759 0.1384537234 0.0592245604 -0.0167700353 -0.0041071551 -0.0664378490 -0.1260083540 0.0824389711 0.0574275631 0.0414025952 -0.0625930448 0.0334370354 0.0736072198 -0.0268068153 0.1057366211 -0.0321799523 -0.1215757871 0.0970923946 0.1419352887 -0.0678751600 -0.0088422053 -0.0024046004 -0.1758404571 -0.0458973165 -0.0492100108 -0.0273605066 0.0946557530 -0.0625317599 0.0352237241 0.0035624442 -0.0405097100 0.0561394632 -0.0817790661 0.0382966532 0.0518610932 -0.1430000398 0.0342251961 0.0660728895 -0.0561733114 -0.0264412609 0.0364491773 0.0033812240 0.0125914289 0.1288298088 0.0327249390 -0.0302624752 0.0106513214 0.0638068277 0.0044769713 -0.0419435496 0.0208928550 0.0189158004 -0.0829154535 0.0222287503 0.0525460676 0.0011965724 -0.0212785845 0.0409285960 -0.0453305313 -0.0210358817 -0.0360453055 0.0095491893 -0.0643268449 0.0095858693 -0.0879737475 -0.0676513087 -0.0721654736 0.0195787805 -0.0046084431 -0.0102373609 0.0596051759 -0.0078798209 -0.0386222560 0.0933098797 -0.0074082389 -0.0287419120 0.0075664597 0.0211506338 0.0849750895 -0.0066359632 -0.0101764127 -0.0520501154 0.0587009837 -0.0498654258 0.0180945953 0.2016995192 -0.0634342932 0.0234939981 0.0342843953 0.0232528208 -0.0272484837 -0.0015658556 -0.0151924554 0.0105105889 0.0562037188 0.0059952421 0.0169188597 0.0553371637 0.0055157381 0.0156562881 -0.0193857338 -0.0928511081 -0.0328278671 -0.0576793539 0.0118170276 0.0434689412 -0.0351996632 -0.0561046235 0.0483506795 -0.0901496169 0.0224119967 0.0986686054 -0.0491619709 -0.0273121123 0.0164581197 0.0707428709 -0.2937147123 0.2692589185 -0.2266250350 -0.2063699141 -0.2675759932 0.1206283154 0.2175659425 0.0328854114 -0.0797767821 -0.0701281680 -0.0680940189 0.2664476967 0.2993176485 0.1031859874 -0.0362018652 -0.0275728282 -0.0137870590 -0.1743810432 -0.0944858018 0.0360106224 0.0158343583 0.0882851246 0.1578482184 -0.1044328199 -0.0973147069 -0.0839195909 0.0697267634 -0.0181694523 -0.0865169498 -0.0963338257 -0.2336689264 0.1905161657 0.2774170226 -0.2068276998 -0.2903367397 0.0547620999 0.1702588761 0.0222169948 0.1852372033 0.1988712170 0.0610224640 0.0190638156 0.0513627308 0.0849495905 -0.0690913751 0.0099171980 -0.0111512416 0.1363996302 -0.0070366642 0.0174157261 0.2196439751 0.0233305769 0.0390933051 0.1152963716 -0.0308487030 0.0879923434 0.1283056065 -0.0210766724 0.0133550246 0.1278136524 0.0361543846 0.1170256143 0.2314462711 -0.0595787479 0.0418869875 -0.0694046665 0.0016252334 0.0266736428 -0.1931776965 -0.0084287600 0.1019714246 -0.0091022557 -0.1249353692 0.0638903662 -0.1000429228 -0.0350911416 -0.0584099423 -0.0082304833 -0.1101100321 0.0224439843 -0.1705542007 -0.1169316287 -0.1238787532 0.0089045438 -0.0129507995 -0.0101126976 0.1002997693 -0.0068073089 -0.0579384338 0.1237206854 -0.0111921923 -0.0485258674 -0.0094818999 0.0070697222 0.1644245946 0.0180767441 -0.0358207507 -0.0123802218 -0.0306383403 -0.0478676293 0.0290456068 -0.0526104536 -0.0890989578 0.0200590877 -0.1133743484 0.0620500659 0.0420246861 -0.0010835727 -0.0002071647 0.0012479494 -0.0030040905 -0.0031983527 0.0010840448 -0.0010326440 0.0007480858 0.0042043998 -0.0002294618 0.0018969510 0.0048473259 0.0009351250 0.0004736507 -0.0031926244 0.0045346781 -0.0042440615 -0.0022282672 -0.0057227633 0.0007166128 0.0036296680 0.0015306876 0.0071912042 -0.0034191366 -0.0021310072 -0.0134132703 0.0241589351 -0.0030264463 -0.0020795217 -0.0218914816 0.0099613255 0.0180028909 -0.0030998364 -0.0179832179 -0.0028672003 -0.0074534546 -0.0280686388 -0.0125118820 -0.0011418882 -0.0141263806 -0.0151402376 -0.0068330303 -0.0707136114 -0.0489576261 0.0289752934 0.0060350593 0.0406755321 0.0633964348 -0.0400164248 -0.0591837427 -0.0515348685 0.0275343768 -0.0011339220 -0.0363157728 -0.0773214312 -0.1307643800 0.1275078916 0.1610515675 -0.1164287220 -0.1609288684 0.0164539681 0.1092073484 0.0078178101 0.0833662670 0.1453288921 0.0512867829 0.0067222485 0.0183998108 0.0426670998 0.0148694296 0.0236997459 -0.0329703748 -0.0915045094 -0.1516305772 0.0653103274 -0.1977356243 -0.4422707183 0.0268231870 -0.0106173602 -0.0345491990 -0.2562165016 -0.0941035411 0.0106995611 0.0023042235 0.0855742211 -0.0292410836 -0.2531277245 -0.3293481725 0.1859215904 -0.0641427553 0.0522891733 0.0187237222 -0.0262973864 0.1719313510 0.0033246003 -0.1352546359 -0.0060053650 0.1763861659 -0.0663659115 0.0859178383 0.0238555471 0.0460569020 0.0292197794 0.0727797096 -0.0081184795 0.1268099209 0.0758107083 0.0897929083 0.0001168851 0.0119199156 0.0050613578 -0.0866195477 0.0015876283 0.0447301298 -0.0845070605 0.0081099537 0.0369567886 0.0135672338 0.0101360537 -0.1406852632 0.0179803838 -0.0643930637 -0.0256470117 0.0867856105 -0.0001399602 0.0573787058 0.1834832499 -0.1117237600 0.0487814850 -0.0904516734 0.0514998513 -0.0086724901 -0.0044313967 -0.0037202006 -0.0016293345 -0.0134288227 -0.0081212008 -0.0026249131 -0.0083105423 -0.0047132029 -0.0008335037 -0.0018869406 0.0030367191 0.0061928995 0.0005393082 -0.0024786983 -0.0035407710 -0.0028263201 -0.0037193339 -0.0043158385 -0.0016243635 -0.0026090610 -0.0014111412 0.0031124562 0.0025170893 0.0036012720 0.0169399827 -0.0070503755 0.0093658232 -0.0018228652 -0.0052897274 -0.0127766353 0.0038301457 0.0148001896 0.0114979648 0.0057665864 -0.0054629106 0.0013632669 0.0674675542 0.0641322295 0.0161167178 0.0009870280 -0.0022930004 0.0035635628 -0.0041147586 0.0006396262 -0.0050886662 -0.0058849436 0.0137172923 -0.0101010456 0.0223158779 -0.0060344538 -0.0007587318 -0.0008793849 -0.0007792406 0.0030588395 0.0056460475 0.0134641343 -0.0178606591 -0.0075295926 0.0150071743 0.0204465375 -0.0014271501 -0.0082785025 -0.0061569546 -0.0038327076 0.0109272776 0.0156460402 -0.0015810729 -0.0276143991 -0.0002593692 -0.0115353456 -0.0048839097 -0.0001112302 0.0000162924 0.0051334068 0.0018449592 0.0158053847 -0.0065205865 0.0054626336 -0.0074859458 0.0133994335 -0.0091546295 0.0034831486 0.0000252353 -0.0001292500 -0.0010348273 0.0000351297 0.0052599930 0.0063364139 -0.0026006279 0.0009149912 -0.0005049584 0.0007170391 0.0000837310 -0.0052661248 -0.0016622742 0.0002680814 -0.0000070454 -0.0011455228 0.0004174016 -0.0012121183 -0.0002760861 -0.0004477575 0.0013469933 -0.0020285297 0.0013507530 -0.0026610362 -0.0024040659 -0.0021899726 -0.0001538287 -0.0002399122 0.0001073700 0.0003666399 -0.0004642398 -0.0004443895 0.0005510532 -0.0002655797 -0.0000692392 -0.0001950533 -0.0002540183 0.0015049922 0.0070095269 -0.0144349220 0.0079974468 0.0086373388 0.0158973596 0.0188701638 -0.1990960611 -0.0938124472 -0.0063105593 0.0043358607 0.0103078199 -0.0216766707 -0.0095376046 -0.0135345923 -0.0186913891 -0.1448188669 0.0702583883 -0.0296306607 -0.1539811917 -0.1061364807 -0.1434218141 0.0357116463 0.1591265619 0.1044906404 0.0915364449 -0.0686569709 -0.0131544675 -0.2569796173 0.3109614802 -0.0705371293 0.3025745267 -0.1531549614 -0.4329604327 0.0862738550 -0.0305808826 0.1963799360 0.1023936274 -0.1017215875 0.2851461097 0.1615351132 -0.1010667867 -0.0876062720 -0.1756019164 0.0819711709 0.0775776244 0.0173840826 0.0224730136 -0.1716551785 -0.1979777177 0.0151319071 0.1878201753 -0.0196382661 -0.0055832375 -0.0209398244 -0.0707062978 -0.0312621638 -0.0036660773 0.0098386351 0.0248913610 0.0667671133 -0.0769034859 -0.0287052179 -0.0438920992 0.0142953159 0.0060505257 -0.0224091471 -0.0723764602 -0.0711000372 0.0597975528 0.0548950451 -0.0589459366 -0.0934876334 0.0302808710 0.0532028213 0.0564838978 -0.0205019568 -0.1518895078 -0.1871817514 0.0180206678 0.3401236184 -0.0149577566 0.0386836895 -0.0682488366 -0.0262000910 -0.0277658715 -0.0750194878 -0.0318700873 -0.0784174914 0.2469095586 -0.0318846825 -0.0313846905 -0.1949353251 0.2442675656 -0.0307511639 -0.0019175153 -0.0003783133 0.0435920937 0.0118145119 -0.0508026907 -0.0499461062 0.0510936876 -0.0079610853 -0.0032359131 0.0236415016 0.0145076555 0.0347803199 0.0363212371 0.0067444294 -0.0035660527 0.0515433397 0.0123645541 0.0249280703 0.0069949580 0.0107043936 0.0371089503 0.0048430961 0.0085784976 0.0250453768 0.0039975028 0.0060699729 0.0092338764 0.0018421080 -0.0059835244 -0.0082922331 -0.0037515441 -0.0025154087 -0.0105746104 -0.0015463860 0.0063068487 0.0126714368 0.0002149016 -0.0403674729 -0.0641120597 0.1657498400 -0.0592802628 0.0564137472 -0.0803519877 -0.1878874766 0.5323875446 0.1898888779 -0.1278769277 -0.0010697355 -0.0710346541 0.2135208323 -0.0087878590 -0.0068139553 -0.0003674915 0.0137880416 0.0464192718 0.0028852476 -0.0175291673 -0.0250221230 -0.0432378132 -0.0144962834 -0.0138819204 -0.0207033025 -0.0139934783 -0.0051517608 0.0241260757 -0.0944050850 0.0856526895 0.0118795495 0.0290618482 -0.0297749507 -0.0809767963 0.0125343041 -0.0117563577 0.0577311274 0.0122528963 -0.0383677828 0.0909205354 -0.0113109460 -0.0392761390 0.0124427228 0.0053249494 0.0072808759 -0.0178559364 -0.0059863626 0.0053784880 -0.0270203195 -0.1756543764 -0.1383685998 -0.0085331402 -0.0029266029 -0.0019859062 -0.0066170419 -0.0249268809 -0.0033576873 -0.0142909788 0.0050886310 0.0060487305 0.0184545192 -0.0213643269 0.0003003771 -0.0040522419 0.0066757493 -0.0002618053 -0.0054847915 -0.0174732530 -0.0067663698 -0.0085395775 0.0084800557 -0.0018852916 -0.0075461425 0.0100181215 0.0043255279 0.0149155607 -0.0219186894 -0.0516067179 -0.0539114256 0.0084494405 0.0975675403 -0.0097557020 0.0102353927 -0.0268775956 -0.0181057334 -0.0131543375 -0.0178197362 -0.0105638891 -0.0076875804 0.0778996851 -0.0033523046 -0.0417074931 -0.0396786932 0.0604025088 -0.0099940488 -0.0040209422 0.0029169335 0.0173379730 -0.0091187836 -0.0323892986 -0.0245643958 0.0447736803 -0.0019951396 -0.0061794287 0.0105430513 0.0110613383 0.0087380496 -0.0048825437 -0.0223375871 -0.0141133757 0.0505219636 0.0041462608 0.0082824123 0.0014121656 0.0045035990 0.0185807097 0.0011748954 0.0002017148 0.0117609257 0.0014505601 0.0027219702 0.0055097976 0.0005263504 -0.0049222435 -0.0012068007 -0.0002403405 -0.0017918710 0.0004231640 0.0010101722 -0.0044174770 0.0066573946 0.0014491588 -0.0151967316 -0.0227059448 0.0306516767 -0.0129659027 0.0456862224 0.0033551345 -0.0152985450 -0.6274288225 -0.3252040915 -0.0955498700 0.0057605755 -0.0115506692 0.0518513373 0.0089033078 0.0008640838 -0.0181476511 -0.1533985312 -0.2372164852 -0.0379152207 0.0279367049 0.0707174097 0.1629648033 0.0521870388 0.0613901610 0.1424097337 0.0411681434 0.0131239259 -0.0785914791 0.1425006807 -0.3127563395 -0.0603654422 -0.0629669556 0.0987337285 0.2421597822 0.0004422352 0.0382038329 -0.0328810032 0.0896851494 -0.0875162425 0.0599283034 -0.1258983489 -0.0577961339 -0.1595437253 -0.0461888261 0.0162671141 0.0691638853 0.0158781878 -0.0131505143 0.0095742582 0.0674773067 0.0821949856 0.1188795496 -0.0004850480 0.0014140615 0.0028668469 0.0318490148 -0.0021647928 0.0299037294 -0.0078829776 -0.0175738487 -0.0219014408 0.0036875565 -0.0220541757 -0.0209941967 -0.0096643843 0.0108914140 0.0056004588 -0.0132971443 -0.0212329531 0.0595587166 0.0202956223 -0.0268651518 -0.0349275495 -0.0041327092 0.0092735404 -0.0069428686 0.0257998000 0.0344782148 0.0235464479 -0.0079848383 -0.0394304298 0.0093403308 0.0385583576 0.0086187364 0.0082759869 -0.0477832748 -0.0486999426 -0.0095389386 0.0159678207 0.0481217959 0.0097308371 -0.1088228868 -0.0717921956 0.0828227614 -0.0138717435 -0.0273121524 -0.0551739104 -0.0503070883 0.0927010539 0.2075397804 0.0553806814 -0.3049184686 -0.0282320143 0.0009604481 0.0551124746 -0.0373362604 -0.1787346725 0.1705786458 0.2716983089 0.1109845026 -0.3071190337 0.0457686000 0.0487852022 0.0804262900 0.0228278431 0.1921931143 -0.1612906056 0.3634609596 -0.1302994704 -0.2112514961 -0.2585777086 0.0090298266 0.0190436538 0.0116982512 0.0104068460 -0.1342839546 -0.1790142882 -0.1621716719 -0.1087646314 0.2956973328 0.0411764752 -0.1148238728 -0.1513850792 -0.0079846920 -0.0052876368 0.0133767022 0.0089599573 -0.0036337618 0.0061794445 -0.0017179104 -0.0029165022 0.0059379018 -0.0079157309 0.0025544611 -0.0206657068 0.0005269735 0.0000885708 -0.0009191022 -0.0058483921 -0.0090911355 -0.0016910143 0.0013542270 0.0027744934 0.0059626083 0.0021709855 0.0020761171 0.0050153519 0.0015281282 0.0004645533 -0.0028010301 0.0051978822 -0.0105517385 -0.0022853515 -0.0003513277 0.0039380887 0.0082277876 -0.0007956505 -0.0005564313 -0.0018128028 0.0049502445 -0.0004228039 -0.0057526497 -0.0030520001 -0.0021977090 -0.0041013070 -0.0039599701 0.0007933753 0.0047566803 0.0033433297 -0.0014333633 0.0011594075 0.0190491882 0.0189796158 0.0048904485 -0.0010184471 -0.0018678025 -0.0040118358 -0.0247382321 -0.0049376503 -0.0096533490 0.0075872188 0.0126375807 0.0225564420 -0.0130701556 -0.0026613770 -0.0048442321 0.0079531068 -0.0018216025 -0.0061458604 -0.0093286477 -0.0036147447 -0.0136035382 0.0045699597 -0.0006167279 -0.0056742988 0.0059128209 0.0016586830 0.0108602402 -0.0149144093 -0.0376784419 -0.0375184382 0.0092742309 0.0622201853 -0.0089412870 0.0673422529 0.0165861005 -0.0175756757 -0.0070233523 -0.0104640130 -0.0065235860 0.0044708448 0.0435017683 -0.0000005043 -0.0348901684 -0.0182560165 0.0300828331 -0.0021299656 -0.0036133248 0.0003329811 0.0096638502 -0.0050689304 -0.0135773438 -0.0014702293 0.0262939007 0.0000825605 -0.0053551821 0.0071007969 0.0099728865 0.0082375544 -0.0044014725 -0.0167824595 -0.0144053183 0.0351697047 0.0037430959 0.0040035577 0.0009209812 0.0028129835 0.0135723088 0.0001487199 -0.0005126966 0.0070933354 0.0005236991 0.0004199716 0.0034165712 0.0000864608 -0.0044447827 0.0028659350 0.0004144559 -0.0037087426 0.0035758266 0.0006476880 -0.0055370876 0.0036593419 0.0005141127 -0.0058329795 -0.0323997701 0.0042724993 -0.0138332056 0.0133474223 -0.0025282764 0.0036511440 -0.5186589059 -0.2774707260 -0.0629074886 -0.0092740732 -0.0146631957 0.0369914345 0.0016635611 0.0057855051 0.0252783105 0.1760375202 0.2681237839 0.0464200738 -0.0331889774 -0.0768935419 -0.1790546487 -0.0436276662 -0.0404637419 -0.1532401739 -0.0249925295 -0.0202867909 0.0667311674 -0.0586778105 0.3322018988 0.0561507338 0.0677070289 -0.1108824431 -0.2542837317 -0.0244518716 -0.0447090751 -0.0367037289 -0.1059641929 0.1293944602 -0.1901361494 0.1795207242 0.0917472381 0.1057676258 0.0367904260 0.0130163756 -0.0221901125 -0.0084136807 0.0000477734 0.0083386473 0.2715544950 0.2214485721 -0.0617681619 0.0070809826 -0.0157054810 -0.0128264403 -0.2124004522 0.0230919672 -0.2180219129 0.0407820850 0.1315570823 0.1184640052 0.0193332472 0.1626265449 0.1674550952 0.0542312680 -0.0730969410 -0.0274672479 0.0360343158 0.1332866239 -0.3979217632 -0.1022215433 0.1878097740 0.2523684446 0.0140670223 -0.0230891629 0.0328842176 -0.1585230411 -0.0873033762 -0.0499495310 0.0349883218 0.1652156988 -0.0325347763 -0.2664919740 -0.0840078486 -0.0180712984 -0.0007243895 0.0035939516 0.0314241809 -0.0716855092 -0.1240264493 0.0075558946 0.0040700061 0.0617830389 -0.1158133873 0.0209169125 -0.0374857271 0.0160452784 0.0840920367 -0.0823764493 -0.1317430891 -0.1107624504 0.0719404735 -0.0216272878 0.0004374364 0.0025607356 -0.0055521222 -0.0862040117 -0.0625403662 -0.0437635423 -0.0013273643 0.0195450910 -0.0085531118 0.0060943232 0.0446123839 0.0028747828 0.0943338200 -0.1071379000 0.2172912111 -0.0733537121 -0.1350868064 -0.1886940657 0.0025601556 0.0157450282 0.0004641278 0.0463201463 -0.0810816973 -0.1460291436 -0.0698327782 -0.0700227165 0.1763072916 0.0175496466 -0.0728831603 -0.0356908965 0.0711187478 0.0245635098 -0.0350640068 0.0572832512 0.0525194924 0.0062755314 -0.0172932074 0.0091176200 -0.0002740891 0.0250209836 0.0377146086 0.0418095444 0.0043884594 0.0053233576 0.0071855994 0.0368497745 0.0556579410 0.0111831743 -0.0040630330 -0.0110923993 -0.0324677176 -0.0035770452 0.0002110539 -0.0261202169 -0.0020471409 -0.0061666564 0.0104465628 -0.0013135046 0.0613911785 0.0093822001 0.0155753284 -0.0221169160 -0.0472782291 -0.0079527140 -0.0048931252 -0.0069562816 -0.0594945545 0.0425915890 -0.0284989663 0.0510251464 0.0407975717 0.0506699899 0.0104533146 -0.0014169259 -0.0103984957 0.0020558294 0.0035824179 0.0068084972 0.1198111676 0.0905525482 -0.0142956343 -0.0184730062 0.0169121967 0.0141649791 0.2488224529 -0.0141153204 0.2355286155 -0.0734336351 -0.1645713203 -0.1829162002 -0.0005071454 -0.1820006032 -0.1868081445 -0.0717972226 0.0774297879 0.0434300303 -0.0341399409 -0.1387647834 0.4424707374 0.0747230351 -0.1915688757 -0.2423693409 -0.0001060433 0.0221874173 -0.0383452219 0.1639625515 0.0916868639 0.0535971525 -0.0339839776 -0.1566127963 0.0361606618 -0.1565312297 -0.1228987344 0.0456450418 -0.0150782446 -0.0499703168 -0.0372076519 -0.0011401562 0.2067867509 -0.0237200288 -0.0910918444 -0.1292690327 0.1883790848 0.0029885688 -0.0285948620 0.0070939445 0.0642699940 -0.0590003995 -0.1124633651 0.0052989645 0.1305125085 0.0021186191 -0.0255482698 0.0227418820 0.0426603466 0.0267597319 -0.0450771512 -0.0999448079 -0.0793790614 0.1734573710 0.0051934661 0.0168108317 0.0048268538 0.0148220537 0.0635721150 -0.0044606684 0.0074297004 0.0252918542 -0.0045864225 -0.0026377632 0.0153843704 0.0002309929 -0.0213291335 0.0143949786 0.0008880419 -0.0202504300 0.0162522170 0.0012765839 -0.0237842853 0.0168026641 0.0008377600 -0.0307506690 0.0474651762 0.0348423317 0.0463777632 0.0561326184 0.0129544798 -0.0432213996 -0.1324050055 0.0988720732 -0.0402749882 0.0670022173 0.0055983605 -0.0685342135 0.0045138018 0.0044262489 0.0071786024 0.0342058752 0.0556692018 0.0109765766 -0.0079679459 -0.0136427446 -0.0335549769 -0.0024150095 0.0045531935 -0.0248821871 -0.0019538230 -0.0065234889 0.0096950621 0.0029603518 0.0602017351 0.0088484607 0.0096976644 -0.0238241456 -0.0462743841 -0.0077889807 -0.0023773225 -0.0088893251 -0.0533254141 0.0296064712 -0.0157106869 0.0445171381 0.0338676772 0.0300264584 0.0102270665 0.0063848351 -0.0070030306 0.0014153159 -0.0007139935 0.0053640032 0.1359334239 0.1120885042 -0.0095370439 -0.0073002089 -0.0019631760 -0.0055858326 -0.0053677203 -0.0021110466 -0.0027276820 -0.0090842710 -0.0038281045 -0.0099573784 -0.0078303756 -0.0076720131 -0.0113999428 -0.0048815807 0.0034552538 0.0058441800 -0.0252628937 -0.0104698791 0.0181656814 -0.0023038449 -0.0062141028 -0.0040324580 0.0110271613 0.0119083266 0.0111095736 -0.0125696959 -0.0173380524 -0.0241198932 0.0154687104 0.0613471491 -0.0053093403 -0.0852492617 -0.0599277424 -0.0106247993 -0.0001352461 -0.0108738270 0.0087424599 0.0381455156 -0.0725777534 0.0149160970 0.0468465602 -0.0063735853 -0.0377320578 -0.0517187145 0.0678075339 -0.0413794172 -0.1274236866 0.2235010680 0.3274784248 0.0741383113 -0.3251705336 0.0038330148 0.0202075103 0.0124059038 -0.0669090520 -0.0149985576 0.2289701084 0.2943357292 0.1553746074 -0.3318137312 0.0241248174 0.0067663407 -0.0551541293 -0.0054734211 -0.1343244137 0.1324051588 -0.2540073791 0.0286566962 0.1607857036 0.2705585392 -0.0061787585 -0.0242530052 0.0300809232 -0.1439600040 0.0951623330 0.2617655263 0.0263671859 0.0923715956 -0.1886274664 -0.0181220355 0.1039598803 -0.0297762005 0.0215394474 0.0184320848 -0.0201008187 0.0611389884 -0.0077268053 0.0289884004 0.0100102965 -0.0769144444 0.0200908696 0.0187117239 0.0046174338 0.0109883767 0.0050333342 0.0037346355 0.0034784202 0.0123250825 0.0232827204 0.0045610848 -0.0046428236 -0.0051594538 -0.0132601812 0.0039811061 0.0109952003 -0.0052564837 0.0035524184 -0.0050518434 0.0008025804 0.0097962840 0.0244059109 0.0008054807 0.0097324427 -0.0117595988 -0.0219889872 -0.0085502399 -0.0028249313 -0.0099269471 -0.0262259492 0.0206341350 -0.0249067949 0.0257485447 0.0186952356 0.0090137296 -0.0041967278 0.0038680710 0.0058564082 0.0031561313 -0.0004876199 0.0033629263 0.1068038876 0.0919427489 0.0104681334 -0.0203406776 0.0177596774 -0.0073344237 0.1576389182 -0.0284678945 0.1865695245 -0.0306940081 -0.1301834168 -0.0770244953 -0.0804911641 -0.1632557509 -0.1887389419 -0.0336173544 0.0567190652 0.0207226913 0.0242071272 -0.0934924692 0.3160011354 0.0054480611 -0.1535135937 -0.2025582521 0.0236616119 -0.0233066564 0.0049926381 0.0597452717 -0.1178136680 -0.1012502418 0.0293153617 0.0571554204 -0.0238147555 -0.0144300639 -0.0104682589 -0.0410815392 0.0347082424 0.1260405941 0.0557954664 -0.1217519954 -0.2889178623 0.0004596861 0.1993571915 0.2557374520 -0.3514363753 -0.0132645698 0.0297303820 0.0358046230 -0.0837543197 -0.0518347568 -0.0439593573 -0.1759065035 0.0055917220 -0.0049851456 0.0557548090 -0.0650621620 -0.0571945914 -0.0376027319 -0.0773782028 -0.0098561843 0.1066154869 -0.1055748067 -0.0328958987 -0.0363117224 0.0223796687 -0.0350019603 -0.0843110210 -0.0687158500 0.1434431474 -0.0489413801 -0.0840964361 -0.1703957658 -0.0320387950 0.0199127589 0.0358764478 0.0550379180 -0.0679086871 -0.1245539537 -0.0689640006 -0.0661613004 0.2010924163 -0.0254465302 -0.0740489835 0.0864738887 -0.0052221072 0.0117654039 -0.0612399308 0.0006449374 0.0018070652 0.0257112655 0.0001177456 -0.1380057405 0.0097978296 0.0448448507 -0.0552797713 0.0612725691 -0.0003758331 -0.0022485678 0.0004584663 0.0025791076 0.0117069128 0.0009955374 -0.0109482978 -0.0099406536 -0.0115159903 -0.0005867057 0.0063798365 -0.0037929505 0.0011388029 -0.0010736232 0.0016787710 0.0003918944 0.0139035686 0.0013526238 -0.0075738907 -0.0093725797 -0.0122191976 0.0009363619 0.0048661923 -0.0032548935 0.0153778331 -0.0077009368 0.0023438701 -0.0065498637 -0.0035791099 -0.0182147469 -0.0007809240 -0.0005054335 0.0010569747 -0.0044916079 -0.0001318715 -0.0020351322 -0.0212812156 -0.0199736918 0.0052663235 -0.0173815638 -0.0074992917 -0.0118378343 -0.0173198048 0.0010922219 -0.0304625873 -0.0292058322 -0.0007134377 -0.0393481091 0.0041777387 0.0058704734 0.0008902951 -0.0065592427 0.0010206445 0.0179231497 -0.0378262258 -0.0054175629 0.0110402620 0.0010038395 0.0058894533 0.0234465767 0.0247378778 0.0128310649 0.0069549713 -0.0007477810 -0.0068017215 -0.0176955497 0.0513966470 0.0399090784 -0.0197938091 0.0271686811 -0.0027544038 -0.0064625632 0.0033739278 0.0109124075 -0.0100538839 0.0160982792 0.0088472750 -0.0070628745 0.0210595858 -0.0027469314 0.0008628878 0.0031438664 0.0025784708 -0.0023836433 -0.0346546521 -0.0184474000 -0.0028428497 0.0381987985 0.0126298888 0.0059533434 -0.0001955394 -0.0102857650 0.0119728699 0.0287372818 -0.0293409577 -0.0391003983 -0.0366183905 0.0407407710 -0.0086736038 -0.0039810461 0.0032785789 0.0007686129 -0.0016995957 -0.0079026419 0.0185639280 0.0202492359 -0.0085176014 -0.0301063921 -0.0026312120 0.0039472381 -0.0056926590 0.0308790901 -0.0087267948 -0.0416263087 0.0055601080 -0.0114479845 0.0193458290 -0.0025400270 -0.0161500199 0.0234787232 0.0001420987 -0.0002830182 -0.0154742852 -0.0448972226 -0.0260584837 0.0028624469 0.3256821705 0.1547445351 0.0462648624 -0.0060340936 -0.0072365126 -0.0007710220 0.1220154851 0.1045593734 0.0391252466 -0.0218407579 0.0253178368 0.0270685024 0.0474662539 0.1068249875 0.1115146858 0.1835027394 0.2914104034 0.2130566983 0.0688813183 -0.0982017730 -0.0843849366 0.1104790849 -0.1266429361 -0.0812176460 0.1558313355 -0.0536964601 -0.0422959955 -0.1871801662 -0.1004796752 -0.0490631889 -0.4491958918 0.1774097881 -0.1836274413 0.1095523577 0.1087142833 0.1755340759 -0.0617113415 0.0444207400 0.1032777058 0.0154641531 -0.0036410252 -0.0146012450 0.2254434566 0.2292965207 0.2015263500 -0.0089546012 -0.0024753487 -0.0065954167 -0.0000582470 -0.0015123334 -0.0036737984 -0.0139829972 -0.0105341187 -0.0216355149 -0.0064873223 -0.0081482718 -0.0125408666 -0.0032830709 0.0031079204 0.0091730253 -0.0091143408 -0.0061920910 0.0219224139 -0.0026665843 -0.0052017416 0.0005960697 0.0131970190 0.0011492803 0.0036786641 0.0004640996 -0.0152777026 -0.0159709275 0.0289098584 0.0202825091 -0.0133195068 0.0030463384 0.0019834370 -0.0051259043 -0.0009077905 0.0013859558 0.0011690155 0.0049050869 -0.0088975445 0.0021440434 -0.0088958807 0.0083273889 -0.0118908781 0.0023234783 -0.0012374195 -0.0019412098 -0.0003829382 -0.0001572218 0.0028952973 0.0073995447 -0.0020318137 -0.0004642867 -0.0024967767 0.0016128245 0.0019793314 -0.0022452140 -0.0003323602 -0.0011696216 -0.0068527916 0.0018703508 0.0001609369 0.0008044002 -0.0000711626 0.0017706905 0.0046483638 0.0006191974 -0.0013365903 -0.0005815445 0.0006895370 0.0036908725 0.0014328378 -0.0006401935 -0.0018436160 -0.0009232184 0.0013864929 0.0020386901 0.0021552268 0.0015660134 -0.0060513700 0.0013871493 0.0016750279 -0.0041403480 -0.0020233337 -0.0031534482 -0.0077013150 -0.0006112128 0.0020458140 0.0099327707 -0.0676937540 -0.0352155277 0.0015284476 0.0017634928 -0.0056284484 0.0034313702 -0.0389737707 0.0354985038 -0.0334439952 -0.0588035264 -0.3125706832 -0.0416861615 0.2875352525 0.2510674325 0.2742804715 -0.0508813387 -0.2700629584 0.0430927266 -0.0418815685 0.0335926328 -0.0028365205 -0.1754983519 -0.2181742901 -0.0169627051 0.2133990669 0.2055258428 0.2058348123 0.0509021289 -0.1039933901 0.1130459052 -0.1401865149 0.1592644923 -0.0597199116 0.2591122205 0.0766956391 0.3783814316 0.0185873790 0.0063962223 -0.0663260716 -0.0205911732 0.0253752070 -0.0483006494 0.1474069546 0.1597132534 -0.1612011822 0.1564792388 0.0704268221 0.0974327822 0.1375463992 -0.0264958102 0.2804473674 0.2835236726 0.0095879648 0.4020849756 -0.0958995892 -0.1155558332 -0.0811356141 0.0508495625 0.0125371931 -0.1631420179 0.2729633979 -0.0139752672 0.0093382959 -0.0098466616 -0.1024453806 -0.2869366713 -0.2133739923 -0.0995297106 -0.0263902875 -0.0770500708 -0.0087946254 0.0858339933 -0.4488076696 -0.1716222417 0.1647480248 -0.0224591202 0.0156558483 -0.0095467053 -0.0084118213 -0.0221620189 0.0145784315 -0.0377394238 -0.0222279884 0.0073416616 -0.0117198362 -0.0145564357 -0.0004369117 0.0219641408 -0.0107177866 0.0050397448 0.0894458391 0.0141125021 -0.0182313764 -0.0245272583 0.0001425862 -0.0074724530 0.0062283611 0.0143729830 -0.0129792879 -0.0400465498 0.0267711130 0.0403002030 0.0487951211 -0.0430246755 0.0104024786 0.0000201833 -0.0032854300 -0.0056753878 0.0137041748 0.0064936821 -0.0296545973 -0.0394304032 0.0058505086 0.0311006276 -0.0018101833 -0.0071945380 0.0095308628 -0.0339302594 0.0157401366 0.0573139405 0.0047170548 0.0160455820 -0.0337406154 -0.0049833106 0.0246740871 -0.0043107664 0.0031266415 0.0071435196 -0.0143343426 -0.0032317596 0.0115974297 -0.0203257768 0.0042396835 0.0001444989 -0.0224511143 0.0077411746 0.0327376066 0.0592161479 0.0179031621 0.0208273877 0.0047168916 -0.0071857520 -0.0150915219 0.0023260601 0.0281704934 0.0365692475 0.0389455367 0.0277928800 0.0321158566 0.0401466873 0.0050569757 -0.0150980353 -0.0134580747 -0.0036370390 -0.0369601555 -0.0147100460 0.0301286638 0.0011823276 0.0058003566 -0.0257046040 -0.0235632997 0.0056626793 -0.0843159614 0.0360028185 -0.0206813765 0.0293171487 0.0222089551 0.0674837836 -0.0005205171 0.0067786566 0.0046047794 -0.0022231497 0.0013285937 -0.0085506876 0.0141177315 0.0185988930 0.0087184277 -0.0049000770 0.0186722366 -0.0212308813 0.0426326041 -0.0338173474 0.1074585827 0.0348401147 -0.0658308531 0.0598027596 -0.1357301276 -0.1133192770 -0.1511015434 0.0083788680 0.0175638384 0.0010607416 0.0874936770 -0.0149604360 0.1043470183 -0.1087857297 -0.0722795483 -0.0922518060 0.0190150816 -0.0454861008 0.0325397201 -0.1008132825 -0.1501340490 -0.0935316075 0.0789397215 0.1271628211 -0.0616755666 -0.0245803120 0.0402443785 -0.0497905473 0.0180275710 0.0581905408 0.0003050429 0.2037702237 -0.1047537159 0.0381044066 -0.1151063523 0.1371715880 -0.0995193933 -0.0248169968 -0.0344723942 -0.0667621420 -0.1744695971 -0.0309343463 0.0898538071 0.1664383083 -0.0960586402 -0.0139210762 -0.1694783336 0.0208288880 0.0757681239 -0.0883779544 -0.0376067881 -0.0750643156 -0.4197077552 0.0658634358 -0.0299893713 0.0578124165 0.0070533296 0.1223162005 0.1380257062 0.0174552913 0.0682300434 0.0164937218 0.0176596055 0.1645338052 0.1141259059 -0.0113583551 -0.1191015053 -0.0542059415 0.0073241085 0.0014442343 0.0027242129 0.0409115487 -0.1821556021 0.1389202389 0.0273382180 -0.4117965771 0.0093097827 -0.0224387332 -0.0695260071 -0.0057507723 0.0184738381 0.1060460898 0.1503145458 -0.0484735485 0.1083477051 0.0121262313 -0.0199366542 0.0412899232 -0.0032798757 -0.0074547961 -0.0021586177 -0.0054324661 0.0039672991 -0.0022802861 -0.0187292188 -0.0168136609 -0.0141195523 -0.0028760034 0.0052560615 -0.0045981901 0.0016276728 0.0040245050 0.0023822554 0.0019040293 0.0097136315 0.0024440035 -0.0214720319 -0.0064670556 -0.0041240692 0.0066093249 0.0103628557 -0.0026089783 0.0461202164 -0.0166744387 0.0000518147 -0.0222440568 -0.0098150249 -0.0255239621 -0.0071812256 -0.0086479610 0.0016155418 0.0006866686 0.0002199584 0.0004491864 -0.0204216058 -0.0205866762 0.0009496454 0.0352232967 -0.0093045270 0.0412308525 -0.0308201726 0.0281558361 -0.0666336684 0.0195427698 0.0824745789 0.0231786743 0.1245565540 0.1025703287 0.1522435494 -0.0095085574 -0.0077114888 -0.0339327556 -0.1034518590 -0.0086255153 -0.0896918154 0.1378285479 0.0468201811 0.0206783902 -0.0571438638 0.0471613384 -0.0209113647 0.1015678550 0.1183370915 0.0688460812 -0.1751261681 -0.0866398778 0.1037726089 0.0088858825 -0.0648103897 0.0069591192 0.0679497049 0.0287505741 -0.0403100514 0.1896516670 0.0389597819 -0.0105283996 0.1584684566 -0.0329520631 0.0377776081 -0.1236337839 0.0838149510 -0.0255818623 -0.3906616304 0.0401493587 0.1706073475 0.0896782195 -0.0782289226 0.0359877507 -0.0131873269 -0.0788943218 0.0382299246 0.2580420992 -0.0489978257 -0.1123139583 -0.1942711187 0.1206627302 -0.0570952676 -0.0041909918 -0.0045367696 0.0211493061 -0.1683621654 -0.0073228760 0.1101709707 0.2646716158 0.0055871114 -0.1323049867 -0.0037309797 0.0422646236 -0.0356132177 0.1736112273 -0.0781665941 -0.2905939467 -0.0302014541 -0.0831816368 0.1943876583 0.0118430119 -0.1332083517 0.0578747241 -0.0010486035 0.0172345651 0.0041862421 0.0499369931 -0.0724525208 0.0285125389 0.0735235078 -0.1079648192 0.0270079156 0.0019930839 0.0066238383 -0.0042308437 -0.0136573918 -0.0082017771 -0.0054367457 0.0027816055 -0.0155595606 -0.0044289758 0.0107654644 0.0010926188 -0.0015307032 -0.0215249581 -0.0446208728 -0.0237102267 -0.0021576059 0.0107210453 0.0069424446 -0.0009765083 0.0130821457 0.0069428357 0.0128090199 0.0164959018 0.0076257514 0.0156680134 0.0038385053 -0.0025566496 0.0294758060 -0.0011602443 -0.0078828088 0.0271843297 0.0013753368 -0.0222033174 -0.0087181557 0.0008608630 0.0026849860 0.0017156308 -0.0000233439 0.0012599618 0.0809249734 0.0719298227 0.0043931564 -0.0071183407 -0.0280002509 0.0477476668 0.0233838840 0.0657692747 -0.1175098453 -0.1112304317 0.0457750837 -0.2101170108 0.2675278942 0.1537637637 0.2244216992 -0.0255375228 -0.0076513963 -0.0063747042 -0.0862058725 -0.0010450607 -0.0553238164 0.2704340248 0.0786237156 0.0800093774 -0.0246032992 0.0392165852 -0.0678274676 0.2969221210 0.1242034220 0.0474477196 -0.1849798985 -0.2071230089 0.1203962325 0.0138179372 -0.0135952856 0.0064342222 0.0334134238 0.0464994587 0.0312967439 -0.1231928280 -0.0705093673 -0.0114730772 0.1256065698 0.0842556035 -0.1123738538 0.0078792250 -0.0104619467 0.0394968840 0.0825058983 -0.0302245460 -0.0800943727 -0.1626963594 0.0573960930 -0.0063929345 -0.0593786194 -0.0076755766 -0.0417481357 -0.2410630670 -0.0447256374 0.0321679579 -0.0004790168 -0.1281865974 -0.0034853978 0.0121248148 0.0027179858 0.0374707922 -0.0108795186 -0.0028964453 0.0594892235 -0.1779905610 -0.0109229705 0.1387828476 0.0714493489 -0.0134777922 -0.0227137977 -0.1634689880 0.0004296282 0.1335074802 -0.0878730880 0.0431276763 -0.0771313219 0.0933285327 0.0457515268 -0.3504091453 -0.0093792959 0.0150931860 0.0061342536 -0.0013400230 -0.0106456103 -0.0508860088 -0.0593186859 -0.0572838296 -0.0609994007 0.0147387436 -0.0206982940 0.0300983410 0.0101112981 0.0108538557 0.0053684301 0.0045252597 0.0085138362 0.0051438869 0.0084754014 0.0122897950 0.0107675622 0.0137845387 0.0208422519 0.0162510274 -0.0016574993 -0.0106666836 -0.0051964621 -0.0064720193 -0.0137119212 -0.0057219213 0.0102634723 -0.0062634265 -0.0042522551 -0.0134888733 -0.0074983947 0.0036338284 -0.0515605237 0.0074207661 0.0156990668 0.0017492326 0.0043598156 0.0199324812 0.0139881970 0.0073156841 -0.0057360088 -0.0067959969 0.0000377078 -0.0021638029 -0.0614542296 -0.0547243309 -0.0037255854 -0.0296062698 -0.0212644748 0.0417432484 0.0914577179 0.0675455970 -0.0621345770 -0.1520559697 -0.0259137020 -0.2884121106 0.2519787728 0.0955413220 0.1526937817 -0.0137978371 0.0004635483 -0.0065074893 0.0437359972 0.0081776945 0.0128529155 0.2786746433 0.0537941986 0.0454468240 -0.0066749220 -0.0110679430 -0.0670305140 0.3061021100 -0.0007723087 -0.0386248950 -0.1742228683 -0.1602574796 0.0996659192 -0.0304830169 0.0386911519 -0.0503533986 -0.0775266828 -0.0084523730 0.0058152518 0.0738544715 -0.0648781936 0.0395985178 -0.2654104623 0.0592996866 -0.0348654726 0.0489880426 -0.0501181365 -0.0699086258 0.0056563961 -0.0194004969 0.0371778534 0.1745892358 -0.1108729436 -0.0359362219 0.0357070330 0.0602629014 0.0566553872 0.1369754210 0.0714899565 0.0002112048 -0.0552904988 0.0921848688 0.0144529415 0.0044463559 0.0104365964 -0.0192265784 0.2088346256 0.0072149112 -0.1176073027 0.0862483683 0.0057074849 -0.0778067241 -0.0664291154 -0.0136930317 0.0104778188 0.1257115025 0.0530523330 -0.0211618702 0.1652451280 0.0006398870 -0.0833789940 -0.1027769822 0.0316307179 0.3565737177 0.0043367557 -0.0080271044 -0.0741804759 -0.0160115844 0.0371285402 0.0658880674 0.1130459480 -0.0101662448 0.0693179110 0.0238102462 -0.0318066204 0.0928312492 -0.0179784149 -0.0132497764 -0.0071215089 0.0059293460 -0.0155971608 -0.0055841093 0.0070224381 -0.0059807945 -0.0092086386 -0.0283964926 -0.0545150784 -0.0338870056 0.0070138728 0.0141664146 0.0060160722 0.0301280679 0.0213781343 0.0089725334 0.0237506044 0.0210922233 0.0081189851 0.0120865369 0.0036340023 -0.0156356528 0.0505159645 0.0014363449 -0.0441983650 0.0277346113 0.0032881734 -0.0367764690 -0.0230835813 -0.0052538694 0.0214261496 0.0090325145 -0.0019382609 0.0028429374 0.0449397895 0.0415137025 0.0339335322 -0.0073047958 -0.0031221897 0.0004669858 0.0083374575 0.0051678192 -0.0068897096 -0.0215877470 -0.0067035826 -0.0386896988 0.0248308080 0.0140277785 0.0168279357 -0.0011988297 -0.0019968711 0.0041656463 0.0108557085 0.0058107238 -0.0020002938 0.0206687924 0.0075499904 0.0133668044 0.0040771709 0.0008452830 -0.0066193144 0.0377436703 -0.0007226411 -0.0055563041 -0.0003592576 -0.0234111358 0.0029702312 -0.0091737334 0.0234499090 -0.0012126761 -0.0034654169 -0.0085056949 0.0025903742 0.0320400225 -0.0094765450 0.0105000708 -0.0657446956 0.0156274893 -0.0060878465 -0.0126116495 0.0007471966 -0.0225814828 -0.0348792654 0.0246410844 0.0462212026 0.0341347267 -0.0536063490 -0.0081771009 0.0041723532 0.0068371127 0.0171480390 0.0885585067 0.0363606121 0.0020535888 -0.0431381791 0.0243805512 -0.0042449342 0.0020785795 -0.0023199549 0.0011543366 0.0140326124 0.0058398763 -0.0184706271 0.0781761976 0.0097932152 -0.0303917666 -0.0167173095 0.0044052222 -0.0042766639 0.0593752223 0.0010998876 -0.0535654806 0.0366823530 -0.0126840265 0.0099084793 -0.0229804518 -0.0136947683 0.0962637258 -0.0027482246 -0.0076233883 -0.0048309757 0.0497192187 0.0199146289 0.0161908624 -0.1910259834 -0.1408509771 -0.0177311467 0.0041846227 -0.0058718650 0.0073152373 0.1108460636 0.0362883767 0.0233583940 -0.1301565724 0.0708629888 0.0049174199 -0.1824099199 -0.0684525725 0.0000131428 0.1994907228 0.4328284568 0.2464040581 -0.0309685617 -0.0552287963 -0.0230732175 -0.2080428109 -0.1353003022 -0.0453545713 -0.2559386355 -0.1406167323 -0.0337126860 -0.0549540200 0.0145783720 0.1089480724 -0.0515826450 -0.0418936984 0.1762507989 -0.3230058104 -0.0439953468 0.2647728541 0.0990848358 -0.0286828181 -0.1371597732 -0.0374884129 0.0204080125 -0.0100211479 -0.1324638643 -0.1581378694 -0.2511246036 0.0100028595 -0.0011154020 0.0066304789 -0.0127775826 0.0023436414 -0.0074924332 0.0140988437 0.0171472995 0.0233961253 0.0066037955 0.0102111548 0.0180476200 -0.0070206820 0.0031091522 -0.0067404734 -0.0530424806 -0.0115276376 -0.0092384328 0.0132478915 -0.0030093412 -0.0136922294 -0.0039320279 0.0055613675 0.0024971408 0.0012142688 0.0007857916 -0.0048974211 -0.0213545496 0.0216155643 0.0113632627 0.0233922056 -0.0288188195 -0.0107150538 -0.0077946003 0.0122262298 -0.0112223891 -0.0031587171 0.0098519214 -0.0092454252 0.0468949938 -0.0251345078 0.0229497261 0.0153314383 -0.0024767851 0.0159829611 0.0037039944 -0.0407725326 -0.0433212731 0.0073069997 0.0585422093 0.0109963048 0.0040630069 -0.0031685333 -0.0097645741 -0.0846802900 -0.0477423904 -0.0151956328 0.0540155041 0.0035738049 0.0098772900 -0.0023708439 0.0057022529 -0.0096945112 0.0086998512 -0.0080539227 0.0075169810 -0.0805171311 -0.0131791491 0.0139416769 0.0090383724 -0.0060897143 0.0109421836 -0.0538509586 0.0032402092 0.0599133164 -0.0273255341 0.0127292812 -0.0108665701 0.0120094041 0.0165789691 -0.0611068131 -0.0025913876 0.0042314639 -0.0131522578 -0.0651714472 -0.0267589669 0.0113439412 0.1365209899 0.1328659924 0.0430553902 -0.0016002018 -0.0024154646 0.0032070430 0.0179567979 -0.0536699050 -0.0313777379 -0.1652604695 -0.0572851537 -0.0484720920 -0.1981950011 -0.1348924914 -0.0560546562 0.0680147485 0.1843231764 0.0980941944 0.0121698636 0.0453052129 0.0234954572 -0.0836144839 -0.0103552721 0.0103477829 -0.1621946185 -0.0177985595 0.0219210269 0.0214715481 0.0346732528 0.0438152185 0.2673240508 -0.0205426509 -0.0978983127 -0.1825172828 -0.0244864384 0.1100762613 -0.0562465257 -0.0591318217 -0.0286780871 0.0195464780 0.0203155047 0.0034554532 0.5917487366 0.4786022913 -0.0585861284 0.0765956479 -0.0045389422 0.0192680047 -0.1456425894 -0.0354791807 -0.0454362622 0.1632179533 0.1630224616 0.2984533448 -0.0529603418 0.0763933522 0.1047000826 -0.0694786967 0.0162809873 -0.0148497773 -0.4337056699 -0.0996770832 -0.0351820394 -0.0890913031 -0.0383279022 -0.0735011882 -0.0101541381 0.0659536278 0.0335335147 -0.0003868214 0.0295241366 -0.0052228567 0.0259155829 0.0602349457 0.0029028056 0.0249457240 -0.0608199730 0.0104660905 0.0053631990 0.0838328751 -0.0272207325 0.0202832260 0.0036264134 -0.0279002914 -0.0799693280 0.1407655861 -0.1097745312 -0.0366156642 -0.0782058663 -0.0266395584 -0.2403675570 -0.2334016102 -0.1075652653 -0.0610214751 -0.0345337211 -0.0359718691 0.0112343482 0.0643504595 0.0264804467 -0.1614502467 -0.0432571880 -0.0208611031 0.0754654313 0.0890799668 0.0508963481 0.0337759508 0.0479285404 -0.0356140194 0.3675618686 -0.0166612511 -0.0960034768 -0.1561279332 -0.0398931635 -0.0368257052 -0.0312555908 -0.0395979995 0.0421433944 -0.0567433120 0.0734533330 0.1976846309 0.0894953903 0.0455980897 -0.1425671830 -0.0609259159 0.1120678474 0.1465141615 -0.0028719560 0.0071911807 0.0016637649 0.0317284764 -0.0499989744 0.0368026370 0.0454164093 -0.1095228688 0.0335721162 0.0264005384 -0.0488822597 -0.0536980905 0.0003727286 0.0086781953 0.0049298597 0.0184425880 0.0094566522 0.0067383571 0.0224467355 0.0171832291 0.0077926250 -0.0040523246 -0.0133953099 -0.0065846245 -0.0041383998 -0.0079555234 -0.0033128794 -0.0018554082 -0.0018326530 -0.0029406317 0.0098552344 -0.0034586363 -0.0051093859 -0.0011138434 -0.0018716899 -0.0009390384 -0.0357148180 -0.0018436191 0.0289044823 0.0155132085 -0.0006320140 -0.0158151802 0.0110105473 0.0073398404 -0.0036385390 -0.0046186250 -0.0021810788 -0.0005937347 -0.0770184191 -0.0639267865 -0.0068430964 0.0514770021 -0.0029443655 0.0134475325 -0.0936428945 -0.0248147621 -0.0249610591 0.1076207553 0.1055066425 0.1953297204 -0.0376932512 0.0478616669 0.0673325944 -0.0571244795 0.0112962743 -0.0037115662 -0.3107717526 -0.0730560613 -0.0121519353 -0.0899245083 -0.0364936603 -0.0541512545 0.0101360952 0.0268037347 0.0075824879 0.0211823328 0.0068885951 -0.0138152523 0.0507512747 0.0070848758 -0.0201723487 0.0120746567 -0.0278615814 0.0144270083 -0.0707312783 0.0178604868 0.0928084702 -0.2886513513 -0.1594602060 0.0322272286 0.0181985527 0.0966606035 -0.1469942328 0.1043097282 0.0168496189 -0.0314468939 0.2949595854 0.1890818314 0.0943883821 -0.0408862427 -0.1756822855 -0.0601256281 -0.0108275060 -0.0130929243 0.0013189447 0.1909699607 0.1136105259 0.0588906626 -0.3179271555 -0.2105754124 -0.1057980707 -0.0253508838 -0.0180824974 0.0946748046 -0.0425628879 0.0220080142 0.0368784421 0.1688640211 0.0280782933 0.0370570509 -0.0147907049 0.0069552885 -0.0947865612 0.2134564267 0.0088945598 -0.2304809813 0.1653637558 -0.0253938448 -0.0980829463 -0.0295873664 -0.0322050472 0.1685509828 -0.0020013516 0.0121250308 0.0334790780 -0.0243223289 0.0171944723 -0.0839314121 -0.0200924995 -0.0227821028 -0.0883368269 0.0187159701 -0.0317354508 -0.0335903342 -0.0026952401 -0.0086372816 -0.0042302118 -0.0116707921 -0.0073067843 -0.0052248452 -0.0162899107 -0.0150350264 -0.0092239484 -0.0011592653 0.0024881342 -0.0012558685 0.0061241322 0.0084664087 0.0028148144 0.0129133076 0.0058317156 0.0037861394 -0.0032192832 0.0064524997 0.0062101932 0.0012472917 0.0003008477 0.0012699020 0.0187524259 0.0050205575 -0.0201674586 -0.0142349641 -0.0002324664 0.0159206104 -0.0082016687 -0.0038214893 0.0027129326 0.0043504350 0.0016689537 0.0007711994 0.0623945458 0.0497843744 0.0097004425 0.0614315504 -0.0088118917 0.0328332430 -0.0901742815 -0.0178101828 -0.0358858284 0.1038882321 0.1269132072 0.1838083288 0.0180024640 0.0873567155 0.1319606094 -0.0879029087 0.0196039397 -0.0136679646 -0.4033191551 -0.1043087902 0.0061497310 -0.0543723455 -0.0482687577 -0.0868206126 0.0232466025 0.0126702987 -0.0000246134 0.1415514251 -0.0824329553 -0.0996662816 0.0394194904 -0.0011011597 -0.0138280861 -0.0232715573 0.0472995449 -0.0319701957 -0.0533328766 -0.0442498388 -0.0444687003 0.0835953188 0.1290452176 -0.0027119962 -0.2212074523 -0.0606736226 0.1107362325 0.0405376665 0.0455091351 0.0317840315 0.1582588103 0.1026681453 0.0176549258 0.2237825599 0.2031404820 0.0733579367 0.0153476128 -0.0310150667 -0.0165235168 0.0487550361 -0.0131840776 -0.0125631767 0.1797514086 0.0786506608 0.0393440702 -0.0385944098 -0.0412165287 -0.0301110233 -0.3613801767 0.0018161493 0.0607416017 -0.0201411804 0.0211249678 0.0427456943 0.0424787026 0.0318994605 0.0183525782 -0.0962994642 -0.0731563453 -0.0287208534 -0.1902763979 -0.0176475766 0.1781033851 0.0807218559 -0.0840548436 -0.2643839668 0.0065400081 -0.0211035064 -0.0613902432 -0.0005458983 0.0546904371 0.0925032505 -0.0483152064 0.1555841886 0.1049190118 0.0378373238 -0.0624931320 0.0089247788 -0.0006058529 0.0060482905 0.0044291202 0.0172300069 0.0108480935 0.0062210218 0.0163190444 0.0114996922 0.0035036387 -0.0047955630 -0.0108571777 -0.0076280911 -0.0021623383 -0.0062464847 -0.0044991161 0.0054346100 -0.0034871484 -0.0032317380 -0.0001497366 -0.0048609564 -0.0032098594 -0.0005122806 -0.0015834910 -0.0021825088 -0.0119305763 -0.0021032992 0.0104007195 0.0033366306 -0.0012789782 -0.0054452251 0.0061843073 0.0014883108 0.0014482666 -0.0014066736 -0.0019818458 -0.0010229094 -0.0888900107 -0.0702416343 -0.0079546375 -0.0010064652 0.0008181829 0.0019877056 0.0051266755 0.0033384991 0.0027722642 -0.0032704804 -0.0021219663 -0.0051757235 0.0055998829 -0.0021711852 -0.0013364862 0.0008051287 -0.0013018741 -0.0019705350 0.0011143784 0.0019325012 -0.0071406259 -0.0000551692 -0.0001824176 -0.0010193491 0.0007502582 0.0001561374 0.0003563546 -0.0041462666 0.0015660064 0.0008113969 -0.0049630845 0.0085749573 0.0027493369 0.0019189029 -0.0111249153 -0.0012376869 -0.0103421749 0.0025125140 0.0010391656 -0.0108581840 -0.0035086608 0.0008586023 0.0062826093 -0.0040653619 0.0018450946 0.0084499744 0.0021745487 0.0003723114 0.0110558175 0.0029032759 -0.0004027407 0.0074218498 0.0025323963 -0.0000026348 0.0028811436 -0.0018867125 -0.0011080305 -0.0018637438 -0.0045041492 -0.0013897830 -0.0055590057 -0.0081637447 -0.0040773222 -0.0032240287 0.0008195070 0.0041384119 -0.0023820397 -0.0004949000 0.0059584019 -0.0082876898 -0.0015959740 0.0042162490 0.0001157521 -0.0009107452 -0.0041074402 0.0048916476 0.0013896499 -0.0043053305 0.0065212156 0.0006324060 -0.0090174653 -0.0005358756 0.0010047125 0.0019729044 0.0002499280 0.0019681288 -0.0012471383 -0.0124496008 -0.0031808439 0.0019497579 0.0221065176 0.0297349571 0.0084333998 -0.0014856266 0.0025993038 0.0005245042 0.0507353267 0.0898313949 -0.0141367347 -0.0929232522 -0.1265938325 -0.0271024453 0.1123171615 0.1918168644 0.2152302519 0.1023641968 0.0958180949 0.2062696953 -0.1201129478 -0.0832451953 0.0517954887 -0.5992117867 -0.0398363278 -0.0212382435 -0.0297839775 -0.1279718494 -0.1502106743 0.0577249814 0.0389901308 -0.0633242779 0.1585792107 -0.0443465902 -0.0449342086 0.3273673296 -0.0041125234 -0.4743764755 -0.0086989226 -0.0166956026 0.0016882563 0.0211419183 -0.0168721526 0.0349625805 0.0635743194 0.0218115407 0.0257844638 -0.0317659904 -0.0008888100 -0.0311239962 0.0083756114 0.0031146615 -0.0157936695 -0.0407855629 -0.0393508558 -0.0653675943 -0.0295719108 -0.0368233123 -0.0687552678 0.0680552458 0.0014639291 0.0101054585 0.2046312657 0.0567161390 0.0010146618 0.1317591238 0.0503064849 0.0607031657 -0.0551982161 0.0369919555 0.0363022551 -0.1294480289 0.0903507437 0.0943006444 -0.0942912246 0.0601044681 0.0593401508 0.0263638342 -0.0841879514 0.0161560909 -0.1366577664 0.0708915172 -0.0257509801 -0.1025492428 0.0517139852 -0.0192961888 -0.3224881244 0.1601706418 -0.1160459068 0.0846917055 0.0145829638 -0.0287405107 -0.0768750441 -0.0743267626 -0.0232578097 0.2979409858 0.1013497564 0.0219512331 0.1006500158 0.0013865160 0.0216439890 0.0990216362 -0.0263091671 -0.0201493238 0.1765820705 0.0989312365 0.0416452355 -0.1119479653 0.0102850902 0.0382041892 -0.2532685688 -0.0140679792 0.1526157039 -0.3477432481 -0.0274698057 0.1354824062 0.0385486589 -0.0051852145 -0.0563047939 -0.0160844000 -0.0128401222 -0.0380949214 -0.0119698881 0.0195985951 -0.0868249371 0.0481759587 -0.0047402218 -0.1713385833 -0.0040386256 0.0170222399 0.0210768165 0.0514221261 -0.0823413117 0.0346982916 0.1917477065 -0.3637990030 0.0140525937 -0.0068118967 0.0034056259 -0.0293751969 -0.0029801530 0.0057914748 0.0109610497 0.0352730989 0.0324868719 0.0147858273 0.0182977891 0.0052920765 -0.0116800988 -0.0136041942 -0.0189517593 -0.0280618277 -0.0022769601 -0.0072014698 -0.0121968108 0.0328342537 -0.0085351585 -0.0071197721 -0.0086775301 -0.0029546758 0.0052990281 0.0042906777 0.0041112182 0.0083327387 -0.0333032334 -0.0054893412 0.0545678982 -0.0154284976 -0.0066750959 0.0012224646 0.0043537458 0.0021511782 -0.0092256477 -0.0006864675 -0.0014986472 0.0011306507 -0.0125394181 -0.0054312199 -0.0269569795 -0.0074722388 -0.0026748078 -0.0206290919 -0.0247583870 -0.0088175793 -0.0194235178 0.0017994437 0.0017133744 0.0065174096 -0.0359708064 -0.0114724030 -0.0294422184 0.0250065593 0.0054927313 0.0141852800 0.0541786192 0.0173689435 0.0123743225 0.0565140021 0.0190074908 0.0280954561 -0.0263497682 0.0159613353 0.0115234822 -0.0456881203 0.0433753410 0.0436463465 -0.0274298966 -0.0043505588 0.0169237160 0.0056077098 -0.0273709805 0.0103461941 -0.0793937738 0.0446710344 0.0334511272 -0.0427428361 -0.0772355742 0.0359905673 -0.1797389367 0.1411773376 -0.1219654909 0.0757004591 0.0445011413 -0.0277117775 0.1572930467 0.1605157739 0.0972799024 0.2924673641 0.1066152995 0.0271693313 -0.1358532754 -0.0360652335 0.0078660431 -0.1479778183 -0.1168851463 -0.1152268769 -0.1825929849 0.0283140481 -0.0205706835 0.1093395316 -0.0459982229 -0.1315306799 0.1003421212 0.0044944131 -0.2171432760 0.3985027427 0.0371412658 -0.2016722192 0.0016626452 0.0271901658 0.1274788007 -0.1608405885 -0.0462512527 0.1402161369 -0.2042959484 -0.0189509620 0.2793621651 0.0283990381 -0.0599913734 -0.0854150136 -0.0012750623 0.0124663419 0.0375759700 0.0097842778 -0.0263391610 -0.0378947338 0.1574437935 -0.3208634047 -0.0649832918 0.0036333734 -0.0064254227 -0.0168190630 0.0014827603 -0.0031790786 -0.0050984488 -0.0169757987 -0.0150442050 -0.0069799409 -0.0095996205 -0.0039985742 0.0033686574 0.0060135577 0.0078948379 0.0108884805 0.0012159504 0.0035593271 0.0067595539 -0.0111617423 0.0084804325 0.0047595493 0.0113570487 0.0040112510 -0.0017154795 -0.0028757212 -0.0007226989 -0.0020999706 -0.0004998176 0.0022072009 -0.0094177102 0.0061682580 0.0033533504 -0.0021513207 0.0016788963 0.0026610415 -0.0012600570 0.0011980787 -0.0013964827 0.0021228799 0.0070367875 0.0043981155 0.0004058847 0.0014223212 -0.0016881032 -0.0082101012 -0.0193786080 -0.0088552837 -0.0105309171 0.0113859169 0.0113716524 0.0217311640 -0.0199485612 -0.0015717946 -0.0075869592 0.0017450776 0.0030875222 0.0087115635 0.0009451039 0.0001440538 0.0127849113 0.0051268345 0.0019973693 0.0079912581 -0.0059871855 0.0013809612 -0.0010809488 0.0055373536 0.0036480986 0.0044679391 0.0096379233 -0.0274725501 -0.0058712175 -0.0177896117 0.0171387614 0.0049149456 0.0116389533 0.0001267478 -0.0000369212 0.0302989188 -0.0092730634 0.0032760223 -0.0547688391 0.0294442564 -0.0210573371 -0.0107689491 -0.0187282876 -0.0075301443 -0.0207847538 -0.0256107909 -0.0097733427 -0.0046785883 -0.0171496297 -0.0060565789 0.0141281773 0.0176049321 0.0110487840 0.0590380215 0.0467932354 0.0239802250 0.0570538895 0.0476190368 0.0261574263 -0.0188806856 -0.0070008200 0.0012359647 -0.0663401384 0.0026915040 0.0099164376 -0.0333733946 0.0069561274 0.0287507944 0.0078817782 0.0057894011 -0.0052937240 -0.0039948593 -0.0110734895 -0.0196857273 -0.0185240081 -0.0010284496 0.0142835156 0.0125575325 -0.0110449215 -0.0356333013 0.0021083283 -0.0002885924 0.0138531625 0.0196892564 0.0009408302 -0.0137687216 0.0063121772 -0.1059168845 -0.0289591213 0.0059604925 -0.0053981111 -0.0031733421 0.0202970552 -0.0876543329 -0.1315248215 -0.3947197400 -0.3821226993 -0.1744946036 -0.2230632275 -0.0973165444 0.0876193668 0.1255499699 0.1494763407 0.2589966101 0.0753824566 0.0917542873 0.1583639869 -0.1795187686 0.2010024327 0.1204619260 0.3350018126 0.1117386466 -0.0389278830 -0.1080629693 -0.0273513513 -0.0538924330 0.0058066700 0.0460322132 -0.2634470290 0.0514688547 0.0662907723 0.0135878350 0.0538299633 0.0413110483 0.0042357317 -0.0094540890 -0.0119812234 0.0092957426 -0.1848014220 -0.1834855068 0.0618554573 0.0103421776 0.0581767815 0.1342730289 0.2999992743 0.0925547724 0.2482811121 -0.0673850612 -0.1557027526 -0.1450735643 0.2114796606 -0.0529778853 0.0233413568 -0.0995608098 -0.1012958290 -0.1048711001 -0.0597808897 -0.0206814789 -0.2192375946 -0.4977778237 -0.0759510432 -0.0731951911 0.1388205827 -0.0036440522 -0.0417949727 0.0454263443 -0.0084081283 -0.0616853087 0.1245340047 0.0820957647 -0.0501542578 -0.0134387974 0.0228626144 0.0116913219 -0.0262302988 -0.0125355557 0.0295822158 0.1273634350 -0.1301267077 0.0608273129 0.0200268219 -0.0084608350 -0.0134796712 0.0074441221 0.0240836680 -0.0347451291 -0.1585061718 -0.0330448114 0.0361972215 0.1899909864 0.0091597375 0.0125622924 0.0260292812 -0.0176904673 0.0260227137 -0.0085959368 -0.0930419176 -0.0689029837 0.0386809709 0.0915450045 0.0188920441 -0.0231336142 0.0214774619 -0.0169530106 0.0003053945 -0.0153509657 0.0328839993 -0.1352242905 -0.0253258435 -0.0096243723 0.0142152848 -0.0113852646 0.0073705464 -0.0549709915 0.0039626771 0.0662497640 -0.0264306425 0.0170798442 -0.0290538238 0.0159009588 0.0200137501 -0.0712263239 -0.0004687803 0.0058859004 0.0459688304 0.0027272675 -0.0027098662 -0.0665462414 0.1475149240 -0.3367218364 -0.1031766450 -0.0419403473 0.0499240849 0.0168980767 -0.0005558876 -0.0001827087 -0.0005346454 -0.0003078899 -0.0010125308 -0.0005031049 0.0007744961 0.0010232384 0.0014394559 -0.0005650617 -0.0011973133 -0.0004032284 0.0005550351 0.0008938448 0.0000355813 0.0068629096 -0.0035336064 0.0008468627 -0.0062396074 -0.0016440874 -0.0005535930 0.0000588074 -0.0015892532 0.0000510998 0.0035620251 0.0013378254 -0.0070695864 -0.0019192337 0.0015449584 0.0104834826 -0.0020862388 0.0014265250 0.0004906892 0.0008552508 0.0000887224 0.0000047406 0.0258070428 0.0189961162 0.0094396197 0.0005578021 -0.0065591277 -0.0095013476 -0.0275402179 -0.0076762504 -0.0248093472 0.0063951605 0.0181087668 0.0133689545 -0.0118955372 0.0094504025 0.0065027710 0.0048184900 0.0113619690 0.0070785043 -0.0044349846 -0.0028512678 0.0251882842 0.0495752194 0.0044709950 -0.0007703448 -0.0106300717 -0.0044872041 0.0045090796 0.0101052033 -0.0204277249 -0.0112109373 -0.0082973810 -0.0070390388 0.0022975996 -0.0075885447 0.0172401785 -0.0069319503 -0.0731886590 -0.0476269574 -0.0132787810 -0.0527386603 0.0935860952 -0.0000915752 0.1363935846 -0.1644765174 0.1300706657 0.0267269757 0.1552465654 0.0284323906 -0.1171110007 0.1028626658 0.0824592798 0.2263655494 0.1725343654 0.0791906033 0.0156544425 -0.1356355216 -0.0556261612 -0.3013172459 -0.3717645639 -0.1968594927 -0.1647698059 -0.1968211463 -0.1271122906 0.0376211726 0.0993985365 0.0377783925 0.3189099572 -0.0391564423 0.1244829096 -0.1717943305 -0.0998168834 -0.0969057727 -0.0330910184 -0.0663697766 -0.0203041254 0.0337440176 0.0983923354 0.1422837726 0.1787831096 0.0361968193 -0.2638646221 -0.0724134043 0.1218601331 0.1609509103 0.0030344992 -0.0055675938 -0.0144465096 0.0297467441 0.0141772655 0.0368482217 -0.0356768790 0.0385538172 0.0385213734 0.0052738305 -0.0063514145 0.0030206750 -0.0019898374 -0.0064787911 -0.0153838011 -0.0344258890 -0.0496360748 -0.0191722509 -0.0078359001 0.0015486961 0.0158788730 0.0064242871 -0.0048112956 0.0222621591 0.0168601483 0.0024337688 0.0192331565 -0.0036765485 0.0359714227 0.0158253676 0.0797855761 0.0134320367 -0.0120519014 -0.0232254007 0.0046376746 -0.0018656154 -0.0313729127 -0.0008536944 0.0128907782 -0.0147923578 0.0047362017 -0.0106140185 0.0152725207 0.0044144091 -0.0087406526 -0.0021147743 -0.0027092768 0.0033991170 -0.0554507532 -0.0513580384 -0.0080802577 0.0300129841 -0.0354697134 -0.0812759711 -0.2470033813 -0.0890082486 -0.1479691616 0.1139751909 0.1436980845 0.2054165047 -0.1861546937 0.0505868567 0.0082453538 -0.0028753963 0.0571882160 0.0945031413 -0.1194750495 -0.0231526975 0.1574856177 0.1122351585 -0.0118489266 0.0218967871 -0.0221096795 -0.0662402678 -0.0670568129 0.1275881831 -0.0347543939 -0.0194539448 0.0758400835 -0.2708285429 -0.0832621432 -0.0447490302 0.0793937640 -0.0074690606 0.0085463377 -0.0488372267 0.0561698851 0.2732896396 -0.2435304007 0.1111422138 0.1199543828 -0.0673625590 0.0198705153 -0.0209311209 0.0096941478 -0.0487828118 -0.2200227590 -0.0570985192 0.0439693669 0.1685730827 -0.0503823804 0.0019378076 0.0434096606 -0.0079755662 0.0445331558 0.0437724411 -0.0729269859 -0.0593884410 0.0783896521 0.1526807219 0.0417232766 -0.0404067422 0.0264018301 -0.0186286774 -0.0220317467 -0.0173641209 0.0464892751 -0.1865260207 -0.0274621628 0.0007826140 0.0209503041 -0.0125392986 0.0043962188 -0.0646391372 0.0012931105 0.0703328311 -0.0352674891 0.0213946173 -0.0372343683 0.0234235137 0.0252342553 -0.0940310280 0.0046161446 0.0041177835 0.0554456844 -0.0219978126 0.0440804843 -0.1119031473 0.1459783857 -0.3255831336 -0.1563188710 0.0182598773 0.0174069955 0.0358410354 0.0108776036 0.0011359164 0.0170234386 0.0200287394 0.0653002936 0.0191827152 -0.0224073854 -0.0238011566 -0.0273575938 0.0083866773 0.0434614742 -0.0103267152 -0.0316982315 0.0101286414 -0.0218185838 -0.0127410097 -0.0500292198 -0.0180914141 -0.1430421164 -0.0119381251 0.0267511669 0.0353664159 -0.0252308799 -0.0075101573 0.0657821020 0.0143067834 -0.0874917700 0.0538393082 0.0072374447 0.0581525803 -0.0161910561 0.0043929456 0.0251094145 0.0032789264 0.0023626699 -0.0068781694 0.0298795170 0.0426564977 0.0290084453 -0.0072507141 0.0089975763 0.0153671643 0.0583635205 0.0159582828 0.0366370604 -0.0259279393 -0.0353490427 -0.0476833478 0.0333003707 -0.0065926503 -0.0002325823 0.0020606959 -0.0143638287 -0.0197667189 0.0427377900 0.0094474934 -0.0346825712 -0.0181961534 0.0073834671 0.0031510024 -0.0005167665 0.0236401997 0.0208810475 -0.0254793093 0.0102318864 0.0055321426 -0.0228645067 0.0602464549 0.0259989596 -0.0082147506 -0.0070074847 0.0011463402 -0.0022025958 0.0063632903 -0.0215130910 -0.0469602630 0.0851987279 -0.0284629802 -0.0555567407 0.0181098124 -0.0059416227 0.0013401086 0.0090408988 0.0208249408 0.0495659467 0.0210997740 -0.0100706212 -0.0290306379 0.0408096742 0.0119765765 -0.0075277973 -0.0080430025 -0.0212191202 -0.0395256343 -0.0057103888 0.0060033377 -0.0154500940 -0.0585201602 -0.0191167559 0.0135581501 0.0013313160 0.0138694815 0.0235008814 0.0022862461 0.0069069039 0.0290712876 -0.0009538311 0.0011984665 -0.0101962112 -0.0022129961 -0.0071467040 0.0292137899 0.0094223460 -0.0158021498 0.0326628953 -0.0037838257 -0.0177392359 -0.0148568214 0.0028907778 0.0453564466 0.0027715872 -0.0001645382 -0.0020015220 0.0166235776 -0.0116542543 0.0243783084 0.0065670344 0.0139345143 0.0295272495 0.0020439400 -0.0149536133 -0.0134431479 0.0633656088 -0.0481088032 0.0252488845 -0.0849952518 0.1608295300 0.0161083415 -0.2362716898 -0.1927458965 -0.1202636042 0.0927564771 0.2734945640 0.0415797803 -0.1135169823 0.1102715200 -0.0325467654 -0.0518173216 -0.1463626771 -0.0181515814 -0.4801615071 0.0438431665 0.1399463921 0.1163848108 -0.1412289183 -0.0487947422 0.1086020854 0.0905571854 -0.3535093183 0.2761491422 0.0356310528 0.2384191520 -0.0123463523 0.0753744788 0.0939746719 -0.0045802853 -0.0092216434 -0.0325960982 -0.2530562064 -0.0936425712 0.0553405702 0.0315365507 0.0246232017 -0.0392663715 -0.0881964950 -0.0566362719 0.0473981213 0.1058216574 0.0001764663 0.1612444613 -0.1819750564 -0.0587422147 -0.1154035215 -0.0331652913 -0.0468483443 0.0819824774 -0.0195304471 0.0247010706 -0.0342672483 -0.2404890633 -0.0248611364 0.1110163700 0.0346235029 -0.0164883079 -0.1362847811 0.1733503301 0.1348121869 0.0433781694 0.0814185434 -0.3204395612 -0.0798938299 -0.0215995736 0.0319797139 -0.0007130494 0.0010599209 0.0400356905 -0.1021126628 -0.0969571341 0.2628945023 -0.1164133966 -0.1672885989 0.0385378380 0.0077473223 -0.0066238527 -0.0157660256 0.0752541975 0.1517197047 -0.0093418139 -0.0881296323 -0.0890843313 0.1721101748 0.0446582961 -0.0271011257 0.0179165517 -0.0784961324 -0.1308710024 0.0713692195 0.0816607910 0.0599747063 -0.1577547901 -0.0229068395 0.0439283444 -0.0296004578 0.0558854255 -0.0110890366 0.0231571852 -0.0044400144 0.1311184403 0.0257413387 0.0755540284 -0.0369971314 0.0146843368 -0.0300318591 0.1257273463 0.0104926117 -0.1300329337 0.0951649346 -0.0298590125 0.0062847422 -0.0428800607 -0.0357554975 0.1443783966 0.0014596129 0.0005966998 0.0057095321 0.0258636644 -0.0768886078 0.0556531915 0.2410584034 -0.4107311840 0.0253640031 -0.0167424898 0.0606808815 0.0738119240 -0.0032860363 0.0028269756 -0.0008063777 0.0051676447 -0.0058304742 -0.0001907413 0.0120423644 0.0099599690 0.0052913892 -0.0049695388 -0.0124248564 -0.0032031707 0.0041309849 -0.0040800278 0.0004660376 0.0012710187 0.0054992573 -0.0001413053 0.0024853307 -0.0072997104 -0.0068928353 -0.0001494642 0.0071300945 0.0017266457 0.0013655616 -0.0076784301 0.0194092197 -0.0070913123 -0.0007507596 -0.0130035471 -0.0047638232 -0.0059189259 -0.0027332912 -0.0000835248 0.0013402844 0.0003804144 0.0478267471 0.0363381977 -0.0039801504 0.0192346361 0.0543752774 -0.0415146859 -0.0287473001 -0.0417141791 0.1203765580 0.0962359350 -0.0674398720 0.1397353942 -0.2126158117 -0.1244886635 -0.2126926567 -0.0069456310 -0.0860337301 0.0841722384 0.0281584395 0.0562461644 -0.1344540779 -0.2363161591 0.0151782361 0.1976244463 0.0099370322 0.0609574249 -0.1156754976 0.1000121652 0.2805683280 0.1387739294 -0.0422381660 -0.2221298994 0.0106102779 0.0503845375 -0.0995678435 0.0156057251 -0.0188299782 0.0007385133 0.0570653455 -0.1261825146 -0.0727782375 0.0283631066 0.0475402620 0.0271363955 -0.0415884916 0.0256374601 0.0183960850 -0.0536828111 -0.0751188373 0.0239394519 0.0651833829 0.0192551209 -0.1405587374 -0.0468369814 0.0138359938 -0.0168953454 0.0595970475 0.1193917987 -0.0452870556 -0.0617198152 -0.1041293190 0.0806898230 -0.0007042135 -0.0323522272 0.0220411088 -0.0475797806 0.0169701986 -0.0178572314 -0.0068261292 -0.0707306913 -0.0186660489 -0.0787523494 0.0305811577 -0.0120404474 0.0265781320 -0.1033710771 -0.0096727256 0.1077857437 -0.0809501106 0.0237732539 -0.0011369456 0.0347263690 0.0303182950 -0.1128661903 -0.0093844262 0.0084171007 -0.0693823255 0.0124386211 0.0023561547 0.0213426703 -0.2699234820 0.4975235449 0.0745815070 -0.0124477616 0.0165984643 0.0539260403 0.0056795214 -0.0074849311 -0.0013160145 -0.0178105776 0.0039084156 -0.0031991255 -0.0257058270 -0.0204500443 -0.0094625956 0.0097808765 0.0229111974 0.0058316150 -0.0057395606 0.0126741394 0.0020942278 0.0058219602 -0.0017391526 0.0043431177 -0.0095593856 0.0158280152 0.0132333415 0.0032951992 -0.0116773988 -0.0023341902 -0.0358023983 0.0108416107 0.0026040099 0.0255244696 -0.0018574164 -0.0008919943 0.0062965532 0.0116552630 0.0010650173 0.0000464203 -0.0035741245 -0.0003380281 -0.0693291870 -0.0431516156 -0.0117519876 -0.0118660363 0.0994948792 -0.0229406978 0.1190128562 -0.0006179112 0.2505961113 0.0489774574 -0.1989729983 0.0472493998 -0.1558789177 -0.1922738562 -0.3055234164 0.0227273255 -0.1310528059 0.0388375558 0.1086755804 0.0846373800 -0.2725391011 -0.0276568773 0.1129412814 0.2961496257 -0.0718356672 0.2206504254 0.0535590437 0.0604529522 0.1977306642 0.0605092962 -0.1772536682 -0.0187675844 0.1781242467 -0.0642399433 0.1266416656 -0.0414046203 0.0223762136 -0.0334038356 -0.0047581788 0.2527482554 -0.0935644470 0.0492283837 0.0562598550 -0.0754031111 0.0604894979 -0.0343176748 -0.0103085807 0.0203433924 0.0362050623 0.0095553397 -0.0103778437 0.0182300114 0.0586418595 0.0297150110 0.0029007826 0.0027698843 -0.0233949243 -0.0521960098 0.0077328609 0.0242510434 0.0841872180 -0.0008993051 0.0115761974 0.0102850210 -0.0021495017 0.0243594424 -0.0045639795 0.0050320106 0.0220437254 0.0030399916 0.0030440990 0.0371694636 -0.0142152084 0.0011521896 -0.0146729537 0.0471329639 0.0090570727 -0.0413984210 0.0441478744 -0.0072409949 -0.0181166627 -0.0177519149 -0.0051573863 0.0535835903 0.0085663884 -0.0120654930 0.0281057411 -0.0293419364 0.0679469555 -0.0473649089 0.1005504485 -0.2208234358 -0.0842767797 0.0848556321 -0.2220756513 -0.0393510116 -0.0146443999 0.0165496258 0.0001322632 0.0389175034 -0.0148282666 0.0045247101 0.0591435362 0.0496475742 0.0272514627 -0.0221183254 -0.0528354663 -0.0069419873 0.0164593028 -0.0252323020 -0.0028348716 -0.0194032001 -0.0044514916 -0.0082191159 -0.0095414658 -0.0485623847 -0.0373554445 -0.0044313566 0.0155168743 0.0008364267 0.1127767498 -0.0112985409 -0.0670457915 -0.0770280216 -0.0009767222 0.0379744155 -0.0130965248 -0.0175868601 0.0087330301 -0.0015647966 0.0081835950 -0.0052650798 0.0969017676 0.0537393214 0.0492448154 -0.0002616505 -0.0008107802 -0.0017522681 -0.0046095544 0.0017345480 -0.0068937937 -0.0009288236 0.0052121778 0.0011067064 -0.0087267886 -0.0049006985 -0.0067145203 0.0059048169 0.0016675777 0.0039788725 -0.0163011729 -0.0010608325 -0.0031335127 -0.0126923996 -0.0028713648 0.0001388290 0.0041017264 -0.0032649709 -0.0121410663 -0.0376845044 0.0556877804 0.0483815052 -0.0237894015 0.0201469528 0.0069165556 0.0428394259 -0.0834430946 0.0215767728 -0.0136381131 -0.0039880714 0.0593873743 0.3960578439 -0.2872769070 0.1469060953 -0.1586421794 0.0850521943 -0.0454798132 -0.0139583974 -0.0039646399 0.0087560810 -0.1504689927 -0.1045249980 -0.0398918373 0.3215902021 0.2537781318 0.0872293420 -0.0219690681 0.0297008921 -0.0682933193 -0.3468478469 -0.0751962838 -0.0012925144 0.2913321919 0.0319029741 0.0624249914 0.0592814623 -0.0564013954 0.0619248216 -0.0481823441 0.0309141573 -0.0301470606 0.0188908188 0.0324884492 0.2079945793 -0.0495269720 0.0393134974 -0.0333708175 0.1521712361 0.0013629941 -0.1961877588 0.1102171425 -0.0491885950 0.0734690472 -0.0420390443 -0.1021105686 0.1320827937 -0.0075613897 0.0101198515 -0.0235636404 -0.0160262531 0.0374433458 -0.0458499646 -0.1235574860 0.2216169376 -0.0253045306 -0.0107086518 0.0161732833 0.0010546466 0.0027867065 -0.0030748906 0.0003668608 -0.0065332382 0.0034448956 -0.0003806386 -0.0098459542 -0.0091936552 -0.0055005140 0.0037840623 0.0090302590 -0.0002789154 -0.0024412679 0.0032028355 0.0000534794 0.0089770686 0.0014191160 0.0016549753 0.0167564355 0.0130592297 0.0074726319 -0.0045930978 -0.0025719801 0.0021473084 -0.0215081737 0.0018287048 0.0104534678 0.0143056269 0.0017898812 -0.0065096288 0.0045959994 0.0065044432 -0.0044408380 0.0026494798 -0.0035170873 0.0032146696 -0.0392295174 -0.0230688184 -0.0211345056 -0.0006187166 -0.0039777476 0.0006570959 -0.0034143642 0.0017167064 -0.0112784324 -0.0041830107 0.0073480420 -0.0044322606 0.0039231161 0.0039513282 0.0077830473 0.0037659002 0.0044596273 -0.0001114551 -0.0025305684 -0.0011819583 0.0066391035 -0.0187745520 -0.0064655120 -0.0112307678 0.0027530330 -0.0032858612 -0.0059279202 -0.0296296446 0.0327053279 0.0311686635 -0.0043756278 0.0086715468 -0.0016542731 0.0162371961 -0.0433867709 0.0124048533 0.0484651306 0.0135031976 -0.0052787278 0.3273247883 -0.1023771702 0.0543692573 -0.4106173913 0.1886162956 -0.0992120149 -0.0762641680 -0.0248658694 0.0346793769 0.3887496988 0.2657073502 0.0868597917 0.0233963656 0.1320313865 0.0585166299 -0.0124255815 -0.0572319910 -0.0207729382 0.2524391773 0.1284775349 0.0774218242 0.0654094330 0.0530135976 0.0023859240 -0.0031225757 0.0890310547 0.0012079459 -0.0899542261 -0.0370255738 0.2627084257 0.1157286172 -0.0475925795 -0.2542957891 0.0028725632 -0.0772883374 0.0028282300 -0.0356089429 0.0656566949 0.1993513185 0.0565484161 0.0416709279 -0.2251349050 -0.0252541484 0.1393033265 0.0034923878 -0.0033977792 0.0061410625 -0.0047278652 -0.0219607537 0.0068902173 -0.0259480139 0.0014357906 0.0122088933 -0.0237082756 -0.0048102862 0.0097368780 -0.0007212576 -0.0033804046 0.0052813827 -0.0016053674 0.0064571442 -0.0098666940 -0.0010247272 0.0146544577 0.0145659003 0.0088936861 -0.0042438843 -0.0138264679 0.0008289902 0.0035195987 -0.0073837142 0.0013942003 0.0004896717 0.0067259087 0.0004959732 -0.0115630801 -0.0188912458 -0.0129838263 -0.0005662359 0.0028395126 -0.0003579214 0.0324480321 -0.0019337768 -0.0258883334 -0.0307450840 -0.0001499697 0.0252120210 -0.0023847980 0.0020483643 0.0013217735 0.0014507483 -0.0007123788 0.0004926293 0.0024344884 0.0079558137 -0.0110271396 0.0005689363 -0.0136451313 -0.0000521718 -0.0142397225 -0.0080389662 -0.0221247813 -0.0040851505 0.0182128614 -0.0036572731 0.0216882498 0.0317810500 0.0447860469 -0.0013898210 0.0087499968 -0.0014720510 0.0576392009 0.0102853752 0.0328851315 -0.0591873260 -0.0206153191 -0.0325348327 0.0022807360 -0.0015801932 -0.0053619197 -0.0056525605 0.0150759473 0.0117559770 0.0129658155 -0.0058838366 -0.0109665729 -0.0008059369 -0.0120744896 0.0024050726 -0.0002229479 -0.0000560029 0.0048223350 -0.0454259337 0.0124116538 -0.0052967685 -0.0263422920 0.0156870842 -0.0095480551 0.0074355337 0.0073111945 -0.0039601921 -0.0415713722 -0.0181052865 -0.0018443125 0.0013673858 -0.0092305121 -0.0044316073 0.0013404486 0.0023401663 0.0020853097 -0.0284222950 -0.0216350545 -0.0139432802 -0.0080000938 -0.0060360769 -0.0012381794 0.0018801925 -0.0070196651 -0.0005674205 0.0098085086 0.0030270789 -0.0224755474 -0.0184020137 0.0026547846 0.0247815037 -0.0007679369 0.0067836263 -0.0002669179 0.0033885161 -0.0047073662 -0.0165253926 -0.0033876193 -0.0041187887 0.0200654496 0.0014979811 -0.0126592747 0.0007976381 0.0001858333 0.0024068316 0.0002408609 0.0112228540 -0.0118168162 0.0032661815 -0.0280062632 0.0577262569 0.0113387624 -0.0041436029 0.0092353101 0.0020003454 -0.0384326059 0.0674826671 -0.0403789500 0.0465892641 -0.1714150566 -0.0373480439 0.1591916445 0.1916720279 0.1423677394 -0.0350581268 -0.1654365661 0.0606614064 0.0402612559 -0.0747925150 0.0383665489 0.0287631048 0.1326942665 0.0334520299 -0.3114309265 -0.2951669719 -0.1867945164 0.0313405519 -0.0039467826 -0.0370179268 0.3192622109 0.0059336289 -0.3163290336 -0.4100624632 -0.0167752594 0.4187480878 0.0032606151 0.0379131021 0.0431408631 -0.0100881175 0.0034980890 -0.0181324053 -0.0902304917 -0.0448876750 0.0759848250 0.0116328940 -0.0928778166 -0.0029573459 -0.0588565722 -0.0403834865 -0.1637749157 -0.0100103217 0.1838680524 0.0200424561 0.0800483516 0.1708305679 0.2614854927 -0.0175613477 0.0350772097 -0.0029565488 0.5466799890 0.0913792083 0.2564680189 -0.5558184397 -0.1302778234 -0.1756112913 0.0059617387 0.0722268762 -0.0215896130 -0.0952435398 0.1988723584 0.1153464835 -0.0308223413 -0.0201017800 0.0297968537 -0.0056680930 0.0118972515 0.0018288772 -0.0032758342 -0.0006884668 -0.0013812783 0.0230098476 -0.0110363621 0.0049110586 0.0235964748 -0.0144653702 0.0095678101 -0.0018443676 -0.0005865628 -0.0002804056 0.0136901988 0.0093176854 0.0037490447 -0.0068254672 -0.0066754706 -0.0016316580 0.0019487201 -0.0008479067 0.0017845663 -0.0002161014 -0.0057324814 -0.0038838744 -0.0010049913 0.0004707187 0.0005134739 -0.0014835056 -0.0014123529 0.0000541783 0.0156094909 0.0006349489 -0.0120522113 -0.0131887816 0.0008735687 0.0108096443 0.0004008000 0.0027639591 -0.0002388937 0.0001606344 -0.0027567148 -0.0070454117 -0.0032160641 -0.0005814181 0.0069341963 0.0012734089 -0.0036801315 0.0001015358 -0.0006916926 -0.0012826116 -0.0111228898 0.0006098540 0.0081856392 -0.0008742256 -0.0040380145 -0.0093458452 -0.0036366682 0.0128121351 -0.0490164253 0.0085717530 0.0012155230 -0.0075976231 0.0081985522 0.0055179168 0.0258878379 0.0092427840 -0.0103890107 -0.0213874401 -0.0216400882 -0.0022584641 0.0126915548 -0.0148805860 0.0015807611 0.0073268883 -0.0064950598 -0.0391413600 -0.0359439130 -0.0119724564 0.0451911096 0.0346297951 0.0209428125 -0.0060825257 0.0026571124 0.0042614131 -0.0074166797 0.0015301331 0.0081198106 0.0338465318 0.0001629510 -0.0481481721 -0.0007842740 -0.0091495318 -0.0020838825 -0.0008351608 0.0025386228 0.0002933039 0.0296686640 0.0080284464 0.0127175447 -0.0019740516 0.0042144665 0.0035853712 0.0044596550 0.0086763521 -0.0002361844 -0.0049148616 -0.0107678740 -0.0097293264 0.0027288805 -0.0145304320 -0.0159926801 0.0049229539 0.0012735402 -0.0027449421 -0.0474070687 -0.0108977005 -0.0153127202 0.0223799993 0.0043640890 0.0005070221 -0.0019358773 -0.0059149325 -0.0006733220 -0.0225509182 0.0036136023 0.0095312256 0.0309725658 -0.0243472941 -0.0204642027 -0.0018362645 -0.0079931746 0.0011094627 0.0333961832 -0.0079849271 -0.0109694772 0.0665762483 0.0266328545 -0.0038462407 -0.2618866550 0.1012252859 -0.0614103802 -0.0339089682 0.0254584854 -0.0020064109 0.2116164458 0.2151096145 0.0975043938 -0.1426743592 -0.1101684941 -0.0243300645 0.0324270164 -0.0390539360 0.0327233101 -0.0351204518 -0.1607608204 -0.0997263298 -0.0527860338 0.0036971562 -0.0066437822 -0.0002722930 -0.0168427178 -0.0084650760 0.2685905941 0.0104883151 -0.1989929504 -0.3390383105 -0.0011880207 0.2298319965 -0.0004894118 0.0502358798 -0.0056348732 0.0094023295 -0.0312840966 -0.1116748169 -0.0378175865 -0.0244821768 0.1416242819 0.0120148024 -0.0730839735 0.0213551132 0.0001246534 0.0018909814 0.0036888636 -0.0035149364 -0.0087666346 -0.0054170282 0.0023074920 0.0076234101 -0.0042319036 -0.0005446811 0.0063444869 0.0016379255 -0.0128207128 -0.0136712035 0.0492742450 0.0814402828 0.1005376933 0.0598084051 0.0109036255 -0.0617287055 -0.1073382613 -0.0451539732 -0.0132822163 -0.0978943067 0.0345912214 -0.0010874910 -0.0265538749 -0.3607730858 -0.2228183998 -0.0837598885 0.2220458853 0.0942653485 0.0466629911 -0.0263682166 0.0157160729 -0.0009729323 0.2009570156 0.0171441995 -0.2145314660 -0.0994783449 0.0013794608 0.0319830929 0.0087969274 0.0096725066 0.0015248588 -0.0031894530 -0.0000071607 0.0009233645 -0.0087823640 -0.0285878985 0.0430694988 -0.0002284649 -0.0017858433 -0.0013457046 0.0008410997 -0.0030121010 0.0016803788 -0.0008300580 0.0042110892 0.0000946899 -0.0006488121 0.0074079639 0.0079056189 0.0007634995 0.0005491289 0.0008643471 0.0101765580 0.0037040976 0.0021986763 -0.0090834831 -0.0030294859 -0.0032535819 0.0000427805 0.0037927241 0.0000842619 -0.0094573759 0.0121374005 0.0088791862 -0.0101592477 0.0059871305 0.0071026649 0.0041333407 -0.0018945952 0.0017554641 0.0203327507 -0.0042005565 -0.0137521924 0.1110631748 0.0032081328 0.0065934163 -0.1576364923 0.0571903526 -0.0355120698 -0.0312363607 0.0144049260 0.0026250609 0.2038655888 0.1830127179 0.0760476562 -0.1204245648 -0.0853206739 -0.0166969013 0.0269044321 -0.0331914096 0.0255601579 -0.0062565224 -0.1151288343 -0.0705299455 -0.0487044158 -0.0016743598 -0.0084531590 -0.0039652109 -0.0126985797 -0.0065963740 0.2400135976 0.0087068339 -0.1729303537 -0.2801778570 -0.0009382655 0.1867805463 0.0009998515 0.0418733804 -0.0040487705 0.0055128949 -0.0282773319 -0.0933523245 -0.0352586016 -0.0183708384 0.1165443989 0.0117666329 -0.0594178480 0.0140441742 -0.0007971190 0.0000520284 -0.0025301178 -0.0125620097 0.0064279219 -0.0058342693 0.0274044883 -0.0348748029 -0.0101822042 0.0015238966 -0.0051016416 -0.0005903633 0.0162681251 0.0148983242 -0.0583551034 -0.0979634102 -0.1143748646 -0.0708886516 -0.0140833953 0.0717129312 0.1278904088 0.0554511192 0.0215959835 0.1162770274 -0.0441266075 0.0014381538 0.0294496720 0.4467892105 0.2678433658 0.1003442964 -0.2532938994 -0.1043367335 -0.0511940588 0.0283501297 -0.0154753511 0.0056979152 -0.2389186650 -0.0239089683 0.2650438209 0.1382534926 0.0000983448 -0.0625946039 -0.0151494090 -0.0150948072 -0.0030511976 0.0066885862 -0.0012440197 0.0006743735 0.0268669465 0.0571231567 -0.0821674703 -0.0087104509 0.0006229130 0.0107817517 0.0158573751 0.0217011902 -0.0137811976 -0.0276764523 -0.0114171213 -0.0438023556 0.0200399261 -0.0148366280 -0.0082692331 0.0240522031 0.0121895941 -0.0085821084 -0.1083243432 -0.0211924187 -0.0337641023 -0.0103015136 -0.0120754990 -0.0357523478 -0.0089860845 0.0013398788 -0.0060182050 -0.1630600694 0.0926879322 0.0916418976 0.1003021840 -0.1055664481 -0.0599016160 0.0082081153 -0.0236458353 0.0080304351 -0.0365476822 0.0069104354 -0.0222860653 0.3017032384 -0.1430673233 0.0578524209 0.0040191215 -0.0583233062 0.0991502257 0.0185851307 -0.0070983164 0.0813188930 -0.1517762919 -0.2145636871 -0.1245111063 0.0262375887 0.2132869990 0.0786979396 0.0191379311 0.0035521270 -0.0363153594 0.3157129592 0.2461757483 0.1342047439 -0.3727693857 -0.3702288546 -0.1617685537 -0.0492293595 0.0031536002 -0.0139194736 0.2644250834 0.0219070888 -0.2134849252 -0.0603448737 -0.0127726435 -0.0365437034 0.0252348686 0.0195637718 0.0189460483 -0.0498028510 -0.0493357833 -0.0263907224 -0.0892762407 0.0221483799 0.0504312126 0.0366904750 -0.0136434382 -0.0822690707 -0.0014266371 0.0023026669 -0.0131773366 -0.0032255844 0.0237834223 -0.0030638072 0.0100422456 -0.0303159976 -0.0059162644 0.0055805395 -0.0049942716 0.0125375731 -0.0004882534 0.0001923129 0.0017983521 0.0030423191 0.0020034315 0.0021273614 0.0017108688 -0.0011847301 -0.0040114532 -0.0017772376 -0.0013226323 -0.0038874593 0.0012078574 -0.0014576017 -0.0007552177 -0.0106549442 -0.0078743226 -0.0026577109 0.0112090103 0.0021367683 -0.0004047719 -0.0036351298 -0.0001051043 -0.0000486533 0.0189548681 -0.0031811122 -0.0177966565 -0.0061584019 0.0048437284 0.0157485684 0.0026759742 0.0060373166 -0.0004631745 0.0012992927 -0.0026087634 0.0012854590 -0.0250172605 -0.0081345096 -0.0155283463 -0.0281502558 -0.0005908970 0.0340200491 0.0632797712 0.0614414495 -0.0306006721 -0.0829362869 -0.0338250645 -0.1276685788 0.0827315289 -0.0273431052 -0.0025145621 0.0650753787 0.0346562361 -0.0353624100 -0.2807359582 -0.0548403946 -0.0997636724 -0.0302446650 -0.0391719155 -0.1202900005 -0.0389508393 0.0163901084 -0.0051366739 -0.4856371257 0.2301730013 0.2239600027 0.4169861613 -0.4244957215 -0.2349927624 -0.0097169362 0.0172528019 -0.0077325546 0.0069622491 -0.0026067815 0.0050292233 -0.0943957431 0.0425753895 -0.0185819552 0.0294653427 0.0005392175 -0.0181566686 -0.0028244566 0.0011520233 -0.0246336889 0.0323500326 0.0512461709 0.0316106487 -0.0066314930 -0.0639727720 -0.0245173204 -0.0067908016 0.0023354387 0.0100963428 -0.0970936148 -0.0688998648 -0.0383549372 0.1142167142 0.1089357808 0.0497413672 0.0143945070 -0.0009446164 0.0045388029 -0.0959918020 -0.0072476230 0.0745131032 0.0381286017 0.0047782304 -0.0005079464 -0.0072843968 -0.0083372762 -0.0055250605 0.0141379491 0.0160119485 0.0132456160 0.0273499155 -0.0053838162 -0.0217776400 -0.0114433887 0.0081868635 0.0240351780 -0.0007704322 -0.0001689513 -0.0087006812 0.0026327510 -0.0046903442 0.0042721615 -0.0014448817 0.0072123048 0.0047804126 0.0282198720 -0.0284479778 0.0437326683 0.0011873999 0.0004313385 -0.0032374503 -0.0049951513 -0.0038858672 -0.0038120178 -0.0027756845 0.0031294333 0.0079612070 0.0036120337 0.0021787110 0.0079592528 -0.0037106136 0.0010963057 0.0015826571 0.0257752468 0.0098617361 0.0059951566 -0.0158910598 -0.0055777895 -0.0046808466 0.0043046493 -0.0010119593 -0.0009668039 -0.0166292800 -0.0016439113 0.0195366018 0.0081728937 -0.0011507143 -0.0044728035 -0.0025011160 -0.0041890119 0.0002578669 -0.0012720472 0.0022264569 -0.0010049681 0.0191549351 0.0034303358 0.0187667390 0.0001202459 -0.0004171342 0.0004449394 -0.0039667819 0.0018023736 -0.0057852855 -0.0026805485 0.0013222215 -0.0053075898 -0.0043350531 -0.0032560060 -0.0028906274 0.0036186456 0.0017449772 0.0021250566 -0.0125828858 -0.0025407886 0.0001565490 -0.0104337529 -0.0021859525 -0.0015568068 0.0025931167 -0.0013039695 -0.0031650142 -0.0119551218 0.0183173778 0.0179158093 -0.0277113116 0.0213075389 0.0140744644 0.0073991140 -0.0177500050 0.0047518348 -0.0089819613 -0.0211900113 -0.0364271898 0.3138799090 -0.0785839587 0.0403371031 -0.2979536482 0.0314529029 0.0300608305 0.0602865943 0.0613329265 0.0397757568 -0.1461706703 -0.0874335102 -0.0233867082 -0.4763583100 -0.2610003662 -0.0894366913 0.0522697717 0.0592492321 0.0367412934 -0.3213551050 -0.2031171712 -0.1065904528 -0.2445311873 -0.1276949323 -0.0647101810 0.0072809678 -0.0211841978 -0.0166046585 -0.3304033725 -0.0088724621 0.1364500073 0.1705182412 0.0136599095 -0.0760944279 0.0150126009 -0.0229209424 -0.0178093476 -0.0660314354 0.0287511074 0.1013246219 -0.0669043647 -0.0198968195 0.0058402581 -0.0103442417 0.0613907167 0.1033763110 -0.0009265744 0.0016733619 -0.0035452320 -0.0107624330 0.0167200793 -0.0090051960 0.0340003652 -0.0397232146 -0.0148817278 -0.0009848188 -0.0007533655 -0.0010980915 -0.0001090023 -0.0009461909 -0.0014020836 0.0024641854 0.0050251707 -0.0008978122 0.0067114283 0.0045391659 0.0060209650 0.0027289064 0.0093363420 0.0046307362 -0.0032755827 -0.0026311744 -0.0025738058 0.0339375959 0.0094640434 0.0024616718 0.0097827992 0.0034796034 0.0010689590 -0.0094592465 0.0020792117 0.0078862396 0.0320156463 -0.0077189879 -0.0175829560 0.0248101669 0.0083581202 -0.0132444983 0.0001647324 0.0041700147 0.0000638299 0.0048681381 -0.0052860661 0.0026778360 -0.0271253511 0.0149828441 -0.0673312907 -0.0001209915 -0.0014199535 -0.0078963076 0.0366197045 -0.0175568661 0.0417704025 0.0250852270 0.0139868788 0.0574935196 0.0243163712 0.0357539731 0.0325140478 -0.0316291919 -0.0109003959 -0.0117379037 0.1213970150 0.0334436465 0.0051905132 0.0729369722 0.0093173540 0.0070449040 -0.0080777734 0.0168910930 0.0160086861 0.0119489892 -0.0456113963 -0.0546553038 0.1337124893 -0.0950789709 -0.0619141236 -0.0187500450 0.0418311617 -0.0311610713 0.1133829865 -0.0660354753 0.0596472675 -0.3865585874 0.1139205011 -0.0506242801 -0.5375620967 0.2126615870 -0.1492671148 -0.0126962651 0.0305387037 0.0003373393 -0.3234961518 -0.1600523661 -0.0347743985 0.2206979144 0.1607791426 0.0607124543 0.0208314340 0.0148136759 -0.0130712369 0.0230931839 0.0479280576 0.0340862065 -0.1910096374 -0.1620374614 -0.0861053129 0.0118735781 0.0026035873 -0.0142910616 -0.0680336662 0.0160167454 0.0003900215 -0.0555528198 -0.0214413846 -0.0113238691 -0.0013680223 -0.0010008550 0.0007243475 -0.0160836683 0.0117787143 0.0269831303 0.0001263607 -0.0093124937 0.0177527525 -0.0022022790 -0.0109434534 0.0090650056 0.0022843976 -0.0012467590 0.0305672150 -0.0025475343 -0.0381847521 -0.0288642944 -0.0741676492 0.1517290467 -0.0190127150 0.0077362429 -0.0077564193 0.0032579048 -0.0012793647 -0.0119544373 -0.0101632591 0.0237589240 0.0567236720 -0.0049584483 0.0291908504 0.0236079659 0.0542467431 0.0202389099 0.0617420258 0.0464111828 -0.0235002407 -0.0071163107 -0.0073660691 0.1207459933 0.0346771778 0.0135936670 0.0543344045 0.0270254173 0.0076676609 -0.0056178735 0.0076643992 0.0188533996 0.0591158620 0.0107523538 -0.0399628016 0.0412693522 -0.0095134458 -0.0741385982 -0.0060927662 -0.0129156867 0.0066752605 0.0019129430 0.0012166794 -0.0023342990 0.0369940722 0.0522256605 -0.0623867600 -0.0001878539 -0.0001501855 0.0011311192 -0.0066955862 0.0034835688 -0.0069870090 -0.0039258176 -0.0030236518 -0.0091447466 -0.0023013382 -0.0064271233 -0.0055404169 0.0057196110 0.0011150049 0.0017525282 -0.0143978136 -0.0054855494 0.0011252710 -0.0159920632 -0.0007063512 -0.0003540246 -0.0011718408 0.0003038283 0.0007449171 0.0094285924 -0.0070330080 -0.0064776737 -0.0172400470 0.0079100306 0.0104761153 0.0023926918 0.0097580566 0.0038858884 0.0239996838 -0.0162229036 0.0090969382 -0.0441122959 0.0058511814 -0.0057035207 -0.1374067920 0.0423317113 -0.0230245203 -0.0031201939 0.0076089485 0.0048528563 -0.0644371020 -0.0349517192 -0.0099526107 0.0272070941 0.0285243236 0.0126197174 0.0098216438 0.0083855615 0.0026500644 -0.0063558983 0.0017502664 0.0025505636 -0.0941122965 -0.0615088626 -0.0332646453 0.0143289583 -0.0000770084 -0.0115803011 -0.0699110341 0.0034205234 0.0253393854 -0.0477187591 -0.0071756909 0.0161227061 0.0002563369 -0.0013336144 -0.0077498956 -0.0208967154 0.0190538344 0.0326759971 -0.0138760362 -0.0183834957 0.0301884308 -0.0064043565 0.0016778251 0.0464680571 -0.0004101599 -0.0014175387 -0.0029532105 -0.0036840875 0.0011175914 -0.0074261393 -0.0091366656 0.0063095528 -0.0098669935 0.0009331821 -0.0033160446 -0.0015435786 0.0201627866 0.0423950985 0.0286384999 -0.1366528815 -0.2148235557 0.0038643489 -0.1659334175 -0.1013110244 -0.1743793805 -0.0548305794 -0.2287076648 -0.1493537433 0.0591513022 0.0363437037 0.0305584854 -0.3472599888 -0.0787131043 -0.0270229761 -0.2006333968 -0.0738139071 -0.0134842675 0.0597506994 -0.0206481285 -0.0753813235 -0.4289234051 0.0004653475 0.3428354936 -0.1171548902 -0.0169028007 0.1230290665 -0.0115681267 -0.0249876876 -0.0201782392 -0.0177131735 0.0250246930 -0.0026646155 0.1686586603 -0.1030814377 0.4053391768 0.0004449563 0.0018600632 -0.0175162046 0.0612844508 -0.0322688443 0.0855819708 0.0491708599 0.0173857264 0.1085881531 0.0335884548 0.0580271260 0.0442590705 -0.0582233728 -0.0156784059 -0.0171157513 0.1638601151 0.0522187048 0.0019725096 0.1954284072 0.0262245496 0.0235499664 0.0018260953 0.0081925694 0.0136051203 -0.0331438298 0.0048061916 0.0041226388 0.1649602863 -0.0664266592 -0.0869679242 0.0000562754 0.0005544364 -0.0054600508 0.0031781121 -0.0100515451 -0.0004050003 0.0457644275 0.0208990573 0.0100210525 -0.0951915545 0.0378696896 -0.0437358778 0.0035576848 0.0198766321 -0.0020520528 -0.0180090793 0.0233086683 0.0184012992 -0.0782524312 -0.0559173545 -0.0196793849 0.0292420931 0.0067575691 -0.0177521181 -0.1619017531 -0.1113732941 -0.0585635535 0.1832402556 0.0374082849 0.0387939918 -0.1132071456 -0.0125152987 0.0626443684 0.3129299293 -0.0024356966 -0.1794972012 0.3996845958 0.0317604405 -0.2016609632 0.0123080000 0.0023202477 0.0564736799 0.0849729868 -0.1429326799 -0.1809444210 0.0454048310 0.1333419669 -0.2066735220 0.0525324990 -0.0062329444 -0.3139770874 -0.0004559463 0.0009144959 0.0047460541 0.0026757167 -0.0101947476 -0.0048246174 -0.0141068880 0.0377370835 -0.0012819052 0.0015985529 0.0022248750 0.0047835984 -0.0022755022 0.0262179179 0.0132413016 -0.0397861436 -0.1297965597 0.0033182963 -0.0375909928 -0.0295161700 -0.1006788194 -0.0399701131 -0.1182635522 -0.0825037726 0.0546567093 0.0193973585 -0.0037434542 -0.0854804421 -0.0138696053 -0.0244893301 -0.2383414420 -0.0824659506 0.0073671139 -0.0326796897 -0.0106262563 0.0243109822 -0.0167255307 0.0092458380 -0.0191603468 0.1321538006 0.0084537380 -0.1119352490 0.0008580432 0.0021739984 -0.0065770414 0.0059936655 -0.0072806507 0.0052841634 -0.0178410730 0.0217581985 -0.0784472951 0.0007384219 0.0025227166 -0.0209283006 0.0709572028 -0.0398419621 0.1038324197 0.0567086174 0.0200402476 0.1248083782 0.0359706732 0.0703532572 0.0533505042 -0.0681355186 -0.0175144932 -0.0192357349 0.1847998666 0.0621000797 -0.0012156376 0.2354009165 0.0290826862 0.0257868274 0.0049159338 0.0073732798 0.0134184188 -0.0529473850 0.0209481649 0.0209817000 0.1815490931 -0.0658029763 -0.0969431859 0.0018581194 -0.0092529610 -0.0038096861 -0.0242329915 0.0194767173 -0.0047545502 0.0503057154 -0.0298596019 0.0117696513 0.1318290671 -0.0392663046 0.0255119648 0.0019947206 -0.0174874232 0.0028516834 0.0466386865 -0.0003931039 -0.0056476348 0.0229391649 0.0270259387 0.0060623024 -0.0245896192 -0.0081062472 0.0119221023 0.1185588170 0.0798146113 0.0424105017 -0.1001566398 -0.0052091591 -0.0163389091 0.0754790785 0.0087447509 -0.0407571676 -0.1985714218 -0.0002705100 0.1200769835 -0.2675721403 -0.0192361034 0.1391659923 -0.0078383027 -0.0013149311 -0.0390784539 -0.0572767063 0.0968427094 0.1213793762 -0.0331236544 -0.0906986661 0.1410764454 -0.0354759345 0.0062668000 0.2150185718 -0.0001216114 0.0013079835 0.0010969562 0.0061223855 -0.0021781267 0.0045715585 -0.0087101378 0.0108176544 0.0074627923 0.0007492143 0.0037835536 0.0059667223 -0.0117717785 0.0349857668 0.0155468082 -0.0284085628 -0.1739067115 0.0051100111 -0.0169835358 -0.0232978018 -0.1327920081 -0.0584743660 -0.1496335857 -0.1054642126 0.0869402267 0.0275893201 -0.0139565662 -0.0752218827 -0.0093745957 -0.0382271721 -0.3952966558 -0.1361237680 0.0148397904 -0.0739298032 -0.0166152797 0.0626256294 0.0806747187 0.0159912965 -0.1268975437 0.2705926500 0.0202330720 -0.2258674595 0.0081418990 0.0113000735 -0.0105211382 0.0123052099 -0.0168290987 0.0099142541 -0.0745372855 0.0390864228 -0.1973608110 0.0007464060 0.0035356193 -0.0372353848 0.1340254126 -0.0594320554 0.1651449396 0.1097970106 0.0464633534 0.2458504179 0.0729418208 0.1086416643 0.0788109042 -0.1247994074 -0.0322185164 -0.0343965856 0.3387871517 0.1053150123 0.0135889591 0.4170641732 0.0615902757 0.0586017740 0.0108279939 0.0120756976 0.0229654242 -0.0876974263 0.0402913954 0.0414835848 0.3114141143 -0.1020179107 -0.1669994253 0.0070523472 -0.0133480187 0.0019579367 -0.0341513582 0.0222562464 -0.0145654741 0.1390038090 -0.0613500337 0.0229479587 0.0945563463 -0.0372052137 0.0354819484 0.0059999887 -0.0072271065 0.0053654190 0.0685187244 0.0280591952 0.0071296101 -0.0601007667 -0.0232098036 -0.0117619867 -0.0049091887 -0.0017678729 0.0049012071 0.0088188997 0.0004098966 -0.0017606859 -0.0015817920 0.0122419422 0.0062623467 0.0100494036 0.0001406274 -0.0053070485 -0.0279347255 -0.0037724705 0.0223408154 -0.0315785845 0.0019124715 0.0247771685 0.0007983894 -0.0004420925 -0.0088329426 -0.0146301859 0.0161786222 0.0226696127 -0.0154828584 -0.0165219001 0.0271906379 -0.0058175012 0.0064855778 0.0458316768 -0.0013901360 0.0017873445 -0.0038728101 0.0095048244 -0.0052229193 0.0041204279 -0.0127810848 0.0203739224 0.0082682839 0.0007487363 0.0060806399 0.0093656595 0.0097684820 -0.0267236768 -0.0102340468 0.0189246891 0.1315458829 -0.0026878576 0.0102491129 0.0139916535 0.0961244717 0.0436771741 0.1122326713 0.0753462506 -0.0650145189 -0.0226509255 0.0115336806 0.0252526480 0.0177896615 0.0250100551 0.3139570635 0.1115616067 0.0038925760 0.0598817334 0.0122091132 -0.0565432699 -0.0738307543 -0.0253969736 0.1193591277 -0.2201072784 -0.0068076935 0.2065796611 -0.0030090425 -0.0089379921 0.0092969534 -0.0130251868 0.0146921074 -0.0104660952 0.0575761128 -0.0439196076 0.1831637520 0.0025632274 0.0001246572 0.0007021140 -0.0033728607 -0.0015091247 -0.0041126389 0.0011544266 0.0052521629 -0.0010424787 -0.0088310040 -0.0003685930 0.0002837646 -0.0050068522 -0.0002098053 -0.0019064718 0.0122639826 -0.0021855095 0.0132789022 0.0061876302 0.0084009873 0.0074012574 0.0057433297 0.0032457888 -0.0020870522 -0.0418715688 0.0174674023 0.0121399936 -0.0144620286 -0.0065153461 0.0148755095 -0.0020222265 -0.0003567798 -0.0076350017 0.0114186147 -0.0062471967 0.0038452545 -0.0435685872 0.0252907336 -0.0085463004 0.0172852203 -0.0013625315 -0.0047789105 -0.0030171379 -0.0008158240 -0.0021704663 -0.0067987701 -0.0086745140 -0.0110752111 0.0215367988 -0.0052621180 0.0035182274 -0.0027726271 -0.0016789650 -0.0006016233 0.0079954997 0.0109757355 0.0109420415 0.0031134993 0.0125847031 0.0003871511 0.0035271677 0.0008255537 -0.0011331947 -0.0060208962 0.0007333648 0.0043806984 -0.0122838666 -0.0017053607 0.0055851114 -0.0010493700 0.0000501712 -0.0012811321 -0.0004774187 0.0044510033 0.0041052010 0.0026841402 -0.0037537628 0.0047061482 -0.0014002895 -0.0017015090 0.0064654557 0.0008282379 0.0003413980 0.0023011343 -0.0122873989 0.0115776962 -0.0011868316 0.0346206214 -0.0321065017 -0.0042321053 0.0024367027 -0.0068547040 0.0021737907 0.0459053634 0.0454452872 0.0294242605 -0.1714124997 -0.1866251340 0.0030644782 -0.2151932014 -0.1104708324 -0.1453266213 -0.0186155095 -0.2003136116 -0.1236844944 -0.0325321414 -0.0161596470 0.0171467599 -0.0465970415 -0.0629575543 0.0114738784 0.2244687962 0.0444646326 -0.0593332192 0.0384421238 0.0208002920 -0.0455269301 -0.1509582826 0.0627164329 0.0687630373 -0.2658562602 -0.0423085094 0.0919616860 -0.0345925545 0.0331179015 0.0625875827 0.0436305436 -0.0482678618 0.0068672568 -0.2383559469 0.2766299310 -0.6786613496 0.0030959508 0.0004317573 0.0001855667 -0.0057404771 -0.0024724439 0.0007389974 0.0001653810 0.0060938997 -0.0045944720 -0.0149948662 -0.0002486237 -0.0006979494 -0.0064135583 0.0009105676 0.0003579018 0.0023641591 0.0052227702 -0.0012125665 0.0275540862 0.0002445025 -0.0005899693 0.0093834804 -0.0030864506 -0.0037745946 -0.0444085710 0.0287642265 0.0300176628 -0.0272489929 0.0198002933 0.0175573882 -0.0001934569 -0.0022896210 0.0014941482 -0.0023645235 -0.0093637477 -0.0093593664 0.0451016565 -0.0200425778 0.0026689950 -0.0856300491 -0.0009752835 0.0223418022 0.0545136074 0.0288485627 0.0142380613 -0.1317339606 -0.0759032098 0.0111087480 -0.2185751329 -0.0835382001 -0.0484713295 -0.0615659179 -0.0251591708 0.0121119727 0.2102829533 0.0769596185 -0.0148807793 0.0226988474 0.0045040412 0.0444020870 0.0926999291 0.0116210378 -0.0472805003 -0.2023861777 0.0422172656 0.0437415371 -0.3019514404 -0.0709877444 0.0793794427 -0.0829726448 -0.0050152902 0.1074679604 0.4067635675 -0.0881942708 -0.3041580548 0.3020587563 0.1463067037 -0.2962981947 -0.0266373691 0.0249216066 -0.4374788380 -0.0000714381 0.0001058140 -0.0018959499 -0.0038627861 0.0090001217 -0.0010508867 0.0124756652 -0.0233521588 -0.0049129683 0.0000421493 -0.0036580235 0.0004078596 0.0056486290 0.0056105978 0.0025786825 -0.0212252974 -0.0206009070 -0.0006513750 -0.0228422679 -0.0099121384 -0.0131126725 -0.0011828265 -0.0206370052 -0.0133242471 -0.0064518636 -0.0024755914 -0.0013720560 0.0248534969 0.0003335408 0.0028153427 0.0148710620 0.0035563920 -0.0048073144 -0.0005894648 0.0007285161 0.0020970624 0.0168071250 -0.0061061091 -0.0042369219 0.0079850437 0.0031443635 0.0007722748 0.0013631228 -0.0021409253 -0.0027119262 -0.0018332507 0.0024242143 -0.0004002556 0.0128628491 -0.0119308178 0.0310546602 0.0059683914 0.0019030938 -0.0001006136 -0.0216175052 -0.0133429926 0.0134319877 -0.0020489123 -0.0035538641 -0.0190959925 -0.0265302996 0.0089456224 0.0072966857 -0.0090379593 0.0019483960 -0.0002418664 -0.0006908981 0.0054441863 -0.0003535428 0.0453705299 0.0026920031 -0.0002256592 0.0149027945 -0.0050106019 -0.0057789260 -0.0751207632 0.0450328708 0.0474050219 -0.0432076968 0.0284802006 0.0285504856 0.0017747061 -0.0004608987 0.0034362346 0.0100982583 -0.0083424866 0.0028130263 -0.0241798678 0.0248457485 -0.0041435789 -0.0026791331 0.0024322460 -0.0106526607 -0.0029211476 0.0012755191 -0.0000503272 -0.0073110216 -0.0086121020 -0.0121448275 0.0118668946 -0.0090953316 0.0035834352 0.0008243812 0.0014940955 0.0016566880 0.0004963641 0.0001494331 -0.0001068309 -0.0150190545 -0.0067319136 -0.0040485470 0.0052506011 0.0001121824 -0.0035404412 -0.0197656878 0.0035327077 0.0026622744 -0.0161266612 -0.0051021454 0.0018326590 -0.0053322141 -0.0003210255 0.0077055430 0.0250181629 -0.0073823788 -0.0200694284 0.0215041832 0.0107107497 -0.0213837856 -0.0009557840 -0.0012709471 -0.0315580100 -0.0000469765 -0.0001118703 -0.0055450446 -0.0098453656 0.0148602682 -0.0011780560 0.0259068896 -0.0407610295 -0.0065177530 0.0004003664 -0.0066117587 0.0011834165 -0.0780824571 -0.0807534139 -0.0384542875 0.2907085861 0.2921692869 0.0057801136 0.3185786068 0.1390598792 0.1927229936 0.0181663442 0.2938314618 0.1902011485 0.0951026896 0.0379192497 0.0227811586 -0.3868402319 0.0252375243 -0.0409344403 -0.2341629019 -0.0475812329 0.0943431685 0.0145257736 -0.0085400570 -0.0500330492 -0.3001810497 0.0105392102 0.2094520861 -0.0695660132 -0.0012552664 0.0491577409 -0.0254166816 0.0087824539 0.0279196150 0.0234055407 -0.0230062301 0.0067680602 -0.1007662482 0.1417458018 -0.3196736856 -0.0773630997 -0.0118959618 -0.0408038773 0.2579445863 0.0162152213 0.1004034526 0.0572274947 -0.0537827080 0.2745120858 0.3497195211 0.0878120163 0.0622979663 0.0868429862 -0.0070013941 0.0027987601 -0.0766996249 -0.0778382536 0.0290573355 -0.3340250506 0.0116434480 0.0286626458 -0.1026749678 0.0331229080 0.0352485891 0.4655929489 -0.2458813566 -0.2606234542 0.2485882245 -0.1551346658 -0.1761843171 0.0031744832 0.0008039530 -0.0081829608 -0.0278829600 0.0103837297 -0.0028246306 0.1312413542 -0.0223898185 0.0334278335 -0.0051500835 0.0173718217 -0.0355979651 0.0271466146 0.0080726273 0.0066996014 -0.0403443316 -0.0151336198 0.0307685658 -0.1071285228 -0.0080448030 -0.0252247010 -0.0233173454 -0.0154855854 -0.0054527006 0.0632813235 0.0369013718 0.0157796224 0.0647347648 0.0428983413 0.0255506528 0.0064901469 0.0032424806 0.0010175477 0.0213498505 0.0005815001 -0.0008715195 -0.0257175569 -0.0028876911 0.0142131774 -0.0021745247 -0.0004020906 -0.0015477962 0.0159467631 0.0079727264 -0.0029159883 -0.0029522160 -0.0042841050 0.0063625338 -0.0044218314 0.0153107950 0.0064029699 -0.0000283512 0.0002168907 0.0119519450 0.0185003757 -0.0322918442 -0.0071327991 -0.0459637150 0.1022122267 0.0045276942 0.0047268082 0.0242793631 -0.0055512381 -0.0067498493 -0.0091228687 -0.0036146470 0.0232096495 0.0328755412 0.0004188694 0.0228867747 0.0100274550 0.0213028233 0.0013608127 0.0249191985 0.0168850438 0.0102383843 0.0086516589 0.0062487315 -0.0492845100 -0.0261904380 -0.0016326811 -0.0139116579 -0.0061633953 -0.0116019967 0.0055940740 -0.0000592956 -0.0113085082 -0.0688676283 0.0051134861 0.0509261566 -0.0207948617 -0.0028019062 0.0058610363 -0.0067266326 -0.0008951757 0.0102870759 0.0043405432 -0.0046188969 -0.0006565925 -0.0127333399 0.0465320827 -0.0827897051 -0.0231043492 -0.0024988437 -0.0162397126 0.0856272185 -0.0001285587 0.0438659403 0.0263723955 -0.0136269017 0.1026609727 0.1078517069 0.0336137063 0.0212174163 0.0168792933 -0.0001686441 0.0009297165 -0.0298097108 -0.0230286599 0.0138558356 -0.0521562614 0.0119749611 0.0159457532 -0.0160637105 -0.0008768506 0.0020255251 0.0803891511 -0.0123145167 -0.0080474179 0.0338403369 0.0077347466 -0.0369732292 0.0052106244 -0.0098755597 0.0062115714 0.0048282274 0.0370372295 -0.0034375365 -0.0766375531 -0.0942451644 -0.0269477998 0.1663221678 -0.0589631175 0.1092653474 -0.1118223406 -0.0591387824 -0.0139465672 0.3315996238 0.1307071312 -0.1008696476 0.3616461653 0.0488023703 0.0953580731 0.1113365832 0.0805441254 0.0430922648 -0.2859493176 -0.1747217750 -0.0768675207 -0.4166142026 -0.2394742146 -0.1410359551 0.0121484798 -0.0173378743 -0.0360459848 -0.2538583474 0.0069447818 0.0518885388 -0.0090057979 -0.0056676739 -0.0158420208 -0.0247877974 -0.0014426974 0.0547646849 0.0962869642 -0.0866280403 -0.1251961275 0.1274738148 0.0912618792 -0.1667400517 0.0072131927 -0.0526773793 -0.2051524817 -0.0001859701 0.0002521328 -0.0057314047 0.0011065476 0.0028402580 0.0088964866 0.0027200233 -0.0218791067 0.0100519475 -0.0006475095 0.0060047766 -0.0006763333 0.0006581686 0.0012037869 0.0008525889 -0.0031378246 -0.0042928082 0.0003944555 -0.0017967802 -0.0012220122 -0.0038565078 -0.0007032424 -0.0028881709 -0.0038577459 -0.0015866417 -0.0007460169 -0.0006801091 0.0105292954 -0.0057024080 0.0008325186 0.0050974265 -0.0006534336 -0.0060091022 -0.0017498295 -0.0007066202 0.0035280843 0.0152756181 0.0085288610 -0.0252669984 -0.0028422574 -0.0041252683 -0.0054786523 0.0021884735 0.0043732473 0.0001716373 0.0000477399 -0.0017629728 -0.0000416084 -0.0184710525 -0.0040384385 -0.0116415344 0.0788817565 0.0062647762 0.0756687453 -0.3308071465 0.0359625565 -0.2270135296 -0.1183911011 0.0208696935 -0.4157055707 -0.3559045934 -0.1659719687 -0.1000577293 -0.0264891852 -0.0192044684 -0.0125379388 0.2027374225 0.0907215311 -0.0780679637 -0.0102491522 -0.0724166486 -0.0778246031 -0.0498960393 0.0496112533 0.0445171935 0.1959390788 -0.2457359763 -0.2807729028 0.2627153598 -0.2492839648 -0.1079352243 0.0004104839 0.0065387899 -0.0232016972 -0.0330937725 0.0241428518 -0.0025014903 0.1378485400 -0.0403333389 0.0350994332 0.0493783656 0.0116586272 -0.0298441901 -0.0054478308 -0.0112057190 0.0025791997 0.0603369567 0.0282051403 0.0101447962 -0.0029406939 0.0181686396 0.0020487439 0.0110468559 0.0077296170 0.0055566878 -0.0282462215 -0.0131317616 0.0003601254 -0.0549874408 -0.0203084708 -0.0176892415 0.0054099735 -0.0022449412 -0.0068832513 -0.0390164253 -0.0000340063 0.0118013638 -0.0139384052 -0.0005238739 0.0069391622 -0.0051714490 -0.0005757598 0.0088572030 0.0242836555 -0.0130022261 -0.0249583012 0.0172519195 0.0151456820 -0.0272290029 -0.0012669250 0.0004766007 -0.0301291814 0.0006854940 0.0001495170 0.0227729158 0.0262417611 -0.0475634593 -0.0062405807 -0.0684316481 0.1454766012 0.0112424812 0.0022979933 0.0180099065 -0.0038942574 -0.0018840482 -0.0028651436 -0.0015669971 0.0108226723 0.0077799752 -0.0001212091 0.0057809200 0.0018089479 0.0042610866 0.0020021899 0.0093641207 0.0104208017 0.0030747029 0.0018543267 0.0022958105 -0.0224147582 0.0044837791 -0.0009866790 -0.0036403566 0.0016532521 0.0063948255 0.0030681659 0.0002070989 -0.0076887601 -0.0335125566 -0.0073344563 0.0372817370 -0.0064749886 0.0053701222 0.0157081652 -0.0032004163 0.0003230444 0.0043427842 0.0029306964 -0.0019745568 0.0008114198 -0.0078736116 0.0191310095 -0.0364745601 0.0042681961 0.0010039457 0.0052782804 -0.0220559165 0.0048296253 -0.0177887227 -0.0057194342 -0.0051756886 -0.0218487174 -0.0134139539 -0.0138031484 -0.0092412230 -0.0012877241 -0.0025564435 -0.0023177642 0.0193061706 0.0058021988 -0.0061744628 -0.0017983840 -0.0036263729 -0.0040391442 -0.0133754722 0.0003598805 0.0059691385 0.0680503689 0.0043291229 0.0128537874 0.0545546741 0.0228702478 -0.0499110485 0.0005666176 -0.0010082919 0.0138421782 0.0399519640 0.0570028127 -0.0354863769 -0.3009729296 -0.5834011182 -0.1357852614 -0.2266912225 -0.1585907913 0.5921343940 0.0124610439 -0.0048969066 -0.0175441089 -0.0601154449 0.0617617976 0.1596861807 -0.0819488883 0.1290616872 -0.0420081741 -0.0117044988 -0.0001138746 0.0011722459 0.0472980439 -0.0388843382 -0.0958954553 0.1082953704 -0.0482907514 0.0504807197 -0.0073215482 0.0010508165 0.0025905621 0.0472907588 -0.0262697587 0.0246496192 0.0261015162 0.0318790087 0.0275031667 0.0021251337 -0.0010788016 -0.0062163364 0.0028579699 0.0143427617 0.0117343235 -0.0183442103 -0.0116535014 0.0200255875 -0.0027078099 0.0187662222 0.0150153480 0.0004038370 -0.0014562597 -0.0093355766 0.0016548206 0.0051887054 0.0025733424 0.0109747197 -0.0398117654 -0.0020384359 0.0012050809 0.0000218762 -0.0013183530 -0.0010380292 -0.0006496641 -0.0013464714 0.0087179957 0.0039040778 -0.0002430994 -0.0029153801 0.0003637724 0.0040500040 0.0012904695 -0.0028481866 0.0090298699 0.0025542012 0.0011585204 -0.0003826320 -0.0076653334 0.0102420603 -0.0014531087 -0.0149906764 -0.0001353702 0.0120298722 0.0033751549 -0.0027764902 0.0033724502 -0.0302047851 0.0379530244 -0.0222533473 -0.0172239216 -0.0230479178 -0.0303732016 -0.0011643776 0.0026399779 0.0011542341 0.0016941824 -0.0020536264 0.0006582788 -0.0102837389 0.0060547382 -0.0159535653 -0.0110299247 -0.0060488608 -0.0199806696 0.1086417022 -0.0182179662 0.0734772501 0.0125571463 0.0696027444 0.0590917016 -0.0074312707 0.0554981259 0.0395018448 0.0054383781 0.0011907618 -0.0102726969 -0.0453938806 -0.0964681891 0.1489511624 -0.0279277202 0.1296107730 0.1316362672 0.0694719701 0.0447986628 -0.0068688182 -0.4421922846 -0.2882736033 -0.3991910245 -0.2592918544 -0.4545681139 0.3686514428 -0.0045285274 0.0125774070 -0.0192793318 -0.0139959536 0.0204350629 -0.0057449943 0.0382045282 -0.0874297715 0.0023947710 -0.0043084335 -0.0086393928 0.0488692787 0.0021327016 -0.0096670955 -0.0030106534 0.0081830658 0.0318145810 0.0625777952 -0.0332733444 0.0611030831 -0.0128757279 0.0031397902 0.0038964598 0.0022477009 -0.0027661203 -0.0133056402 -0.0195917550 -0.0027167437 -0.0212075535 0.0020306866 -0.0009492472 -0.0011445895 -0.0023764970 -0.0001890086 -0.0096516577 0.0126133360 0.0050510471 0.0115656017 0.0120590167 -0.0002876504 -0.0006938114 0.0009330300 0.0079285066 -0.0016684642 -0.0056781896 -0.0065260768 0.0025461208 -0.0027791628 -0.0015027311 0.0097347471 -0.0025091268 0.0007765623 -0.0016674809 0.0184560910 0.0186249210 -0.0351388845 -0.0039345246 -0.0445217859 0.0903284173 0.0066077698 -0.0074374428 0.0125297157 -0.0001671111 0.0000328185 0.0000186160 -0.0012649979 0.0064906117 0.0030106629 -0.0005088803 -0.0063556711 -0.0004283064 0.0046224578 0.0020192085 -0.0054284454 0.0088136216 0.0015911128 -0.0027705416 -0.0017460282 -0.0129457060 0.0336069419 -0.0031353561 -0.0095126455 0.0072519157 0.0330650319 0.0044365246 -0.0018822734 0.0036847278 -0.0278068394 0.0399379842 -0.0243732709 -0.0284878758 -0.0265439716 -0.0300864546 0.0014698923 0.0002602483 0.0000966272 -0.0015846499 0.0005597142 -0.0007280864 0.0054138523 -0.0026224611 0.0109762403 0.0049330141 0.0057910078 0.0015259213 -0.0663286358 -0.0221188239 0.0139912766 0.0025316131 -0.0664710472 -0.0236201463 0.0162002137 0.0098572210 0.0080720482 0.0033927528 -0.0013875013 -0.0134758683 -0.0007348300 -0.0514587670 0.0748177918 -0.0339996700 0.0653209503 0.0590039858 -0.0102267792 -0.0018098089 0.0015168179 0.0445969513 0.0221417465 0.0303961838 0.0402074896 0.0268039661 -0.0441832422 0.0003784427 -0.0054045702 -0.0004455167 -0.0005167264 -0.0038088770 -0.0002199183 0.0160851326 0.0228876896 0.0038830735 0.0071678684 0.0026551501 -0.0175889860 -0.0004382415 0.0058558572 0.0044678780 0.0124450417 -0.0165206420 -0.0467996094 0.0116187704 -0.0494070626 0.0080947388 -0.0009200761 -0.0040456967 -0.0016712577 -0.0080156955 0.0118047088 0.0269405348 -0.0069572652 0.0287777830 -0.0067037409 0.0014449747 0.0005414525 0.0017141237 -0.0037682701 0.0091559008 -0.0112296868 -0.0060443648 -0.0112206423 -0.0102918917 -0.0000453166 0.0007375287 0.0001156943 -0.0062585620 -0.0021942692 0.0005327536 0.0061564475 0.0007209730 -0.0021470407 0.0013142559 -0.0090445919 0.0013137321 0.0003787183 0.0001670129 -0.0003182660 -0.0038294620 0.0067585322 0.0017305281 0.0079856498 -0.0166194811 0.0000363161 0.0011857777 -0.0007895221 0.0006746429 0.0125129699 0.0089037720 -0.0011942601 0.0296176989 -0.0526308624 -0.0006069269 -0.0688259274 -0.0337821961 -0.0390048953 0.0238274464 -0.0388788200 0.0503828058 0.0006701944 -0.0612837159 -0.0408564218 -0.1456121023 0.5691009629 -0.0538085983 -0.0435883772 0.1679044203 0.5664730995 0.0308973227 -0.0088747185 0.0275041720 -0.1238233683 0.2585503603 -0.2030717783 -0.2044753595 -0.1737970765 -0.1836409774 0.0006761773 0.0088794688 -0.0080981089 0.0002240960 -0.0019789113 0.0042019876 0.0067677243 -0.0250630049 0.0524976163 0.0001083505 0.0017023876 -0.0003558683 -0.0162929301 -0.0061012497 0.0045786109 0.0023675979 -0.0206310787 -0.0000828411 0.0114552176 0.0032283915 0.0016839905 0.0002313851 0.0021187247 0.0009550565 -0.0116191185 -0.0004344454 -0.0030057992 0.0043218634 -0.0036058923 -0.0052188661 -0.0000401641 -0.0096137413 -0.0034922897 0.0183110550 0.0460149176 0.0608048553 -0.0048064765 0.0645644795 -0.0205642992 -0.0066448579 0.0128320267 -0.0002563849 -0.0118606073 -0.0124233808 0.0126192646 0.0703250084 0.1572131563 0.0382485537 0.1009852625 0.0352548099 -0.1680358335 0.0035850820 -0.0514247269 -0.0254256186 -0.1004003522 0.1140141197 0.3667306577 -0.1294909262 0.3895692587 -0.0659595811 -0.0049827638 0.0543936623 0.0225692794 0.1600990541 -0.1405221863 -0.3816524023 0.1163203767 -0.4147681249 0.1107618117 -0.0116231307 -0.0081978440 -0.0253134438 0.0409815562 -0.1217328399 0.1554396703 0.0680003064 0.1500795351 0.1488731384 0.0007173585 -0.0168732349 0.0003472510 0.1417294739 0.0296047311 -0.0341009908 -0.1507163264 0.0001523549 0.0250707026 -0.0309067009 0.2148112245 -0.0108074576 0.0007451186 -0.0002856819 0.0018370169 0.0048897469 -0.0117323488 -0.0037450704 -0.0088822252 0.0320336580 -0.0013686944 0.0008827304 -0.0036911756 0.0006317186 0.0014390617 0.0011444498 -0.0003826939 0.0041959157 -0.0020583884 -0.0000541846 -0.0132081108 -0.0040204940 -0.0002724651 0.0023749120 -0.0101782936 0.0078562457 -0.0002173478 -0.0046960847 -0.0030393568 -0.0117043928 0.0405101871 -0.0041138408 0.0007514006 0.0134436765 0.0410067009 0.0024467505 0.0004956230 0.0010275055 -0.0084226771 0.0162748246 -0.0115128604 -0.0164846420 -0.0111648358 -0.0124763872 -0.0009129085 -0.0010747891 0.0025945937 0.0003183436 -0.0001000947 -0.0005161909 0.0020666525 0.0093051026 -0.0120836710 -0.0085501621 -0.0043907686 -0.0111723923 0.0440669547 -0.0378999804 0.0858112944 -0.0109522176 0.0168242299 -0.0042915053 -0.0098472991 0.0626636280 0.0574868335 0.0094533796 0.0053353622 0.0285701450 -0.0206114993 0.1066236197 -0.1753990829 0.0118632387 -0.1585193444 -0.1483267585 0.0037951014 0.0034163227 -0.0005581160 -0.0145605772 -0.0302086380 -0.0390481784 -0.0443217238 -0.0226184742 0.0431558890 -0.0005224781 0.0049070249 -0.0051534126 0.0020605755 0.0043415559 0.0000193745 -0.0272613505 -0.0293344075 -0.0072198232 -0.0135700878 -0.0036634320 0.0260351792 0.0008479075 -0.0039122774 -0.0039743883 -0.0105966449 0.0119575070 0.0345190077 -0.0067844273 0.0356621130 -0.0062066055 0.0026707738 -0.0009753788 -0.0005002412 -0.0102360580 0.0026739432 0.0137398148 -0.0089250620 0.0133910328 -0.0065979678 -0.0004172830 0.0001223019 -0.0002580121 0.0000554856 -0.0007678903 0.0009051842 -0.0000162978 0.0006375601 0.0003216988 -0.0002709837 0.0010472686 0.0002027193 -0.0081475629 -0.0020762705 0.0014359952 0.0097848560 0.0003012968 -0.0021566869 0.0017300639 -0.0135877890 -0.0004709980 -0.0001302362 0.0003447908 0.0037630683 0.0023656919 -0.0077802475 -0.0012474984 -0.0059817505 0.0218878729 0.0014913245 -0.0006301683 0.0005983323 -0.0012582566 0.0013717195 0.0014839595 0.0287964422 -0.1270823281 -0.2251118715 0.0076360340 0.2495478748 -0.0045585524 -0.2366828031 -0.0208855483 0.2465576554 -0.1949940809 -0.0079729139 -0.0396922803 -0.0155611769 -0.0741897922 0.3099896364 -0.0232768748 0.0122392338 0.0890554113 0.2870833170 -0.0272127225 0.0122191748 -0.0451806378 0.2133458614 -0.3442753597 0.2247010630 0.2016020923 0.2185472084 0.2963756166 -0.0068248581 0.0026137804 0.0060974829 0.0032215015 -0.0030479493 0.0003221410 -0.0215709913 0.0224436218 -0.0437120808 0.0000062099 0.0010529934 0.0000168861 -0.0110698494 -0.0016157284 -0.0016515152 0.0027432521 -0.0138572337 0.0028574428 0.0103549422 -0.0006629550 -0.0015736881 -0.0003708269 0.0010540801 -0.0002983903 -0.0041268118 -0.0030992211 0.0046020212 0.0012658343 0.0030345347 0.0018259856 0.0012149149 -0.0034431651 -0.0015987101 0.0002305505 0.0152912480 0.0199108075 -0.0045667878 0.0197652564 -0.0038447721 -0.0028983671 0.0064810970 -0.0009321915 -0.0050288041 0.0030772111 -0.0002417278 0.0145646927 0.0139535910 0.0043097950 0.0373684764 -0.0025066083 -0.0183701593 0.0030684192 -0.0285332901 -0.0173854777 -0.0276048053 0.0786029504 0.2074984106 -0.0935960934 0.1871647654 -0.0446491358 0.0163994128 0.0107438722 0.0072653784 -0.0467803364 -0.0339071654 -0.0167925450 -0.0061353786 -0.0063089121 0.0031808896 0.0088352429 -0.0027731472 0.0663396417 -0.2039807299 0.3398244610 -0.4396167033 -0.1365833255 -0.3957241001 -0.3966853225 -0.0070592834 -0.0083280390 -0.0177238256 0.1605984006 0.2165763113 0.1652315207 0.0887605052 -0.1512810830 0.2183358555 0.0026884854 0.0783395328 -0.1481877142 0.0004056696 -0.0005100987 0.0013612015 0.0036810919 -0.0071768035 -0.0006549323 -0.0051043436 0.0146955200 0.0008429545 0.0002007268 -0.0012406621 0.0003890534 0.0003404601 0.0003053366 -0.0006932018 0.0044215074 0.0050280976 -0.0000597421 -0.0099192067 -0.0011283014 0.0053780118 0.0010229462 -0.0091440940 0.0067170886 0.0002609627 -0.0000958637 -0.0003938013 -0.0020484766 0.0012213129 -0.0007317361 0.0003929506 0.0010929427 0.0024183011 0.0002519083 0.0001192778 -0.0000068427 -0.0017785998 0.0022273142 -0.0013001214 -0.0022492324 -0.0012817711 -0.0018667549 -0.0000909160 -0.0002621935 0.0011664301 0.0000432669 -0.0000683880 -0.0003203606 -0.0007703405 0.0033259822 -0.0055355748 -0.0070540152 -0.0017314367 -0.0077397596 0.0167119951 -0.0241637920 0.0502763937 -0.0006648675 -0.0085775840 0.0113041041 0.0167479596 0.0370502966 0.0320875273 0.0028071384 0.0075763305 0.0268184840 -0.0221273384 0.0988846106 -0.1580024734 0.0357665539 -0.1464608305 -0.1403019656 0.0071746749 -0.0096924947 -0.0059086296 -0.0071676475 0.0320394789 0.0422157865 -0.0478434549 0.0550890122 0.0173830385 -0.0093851136 0.0200592019 -0.0124815784 -0.0135269607 0.0038111488 -0.0008562744 0.0425701378 0.0122293202 0.0120127413 0.0320696698 0.0011319331 -0.0305108728 0.0260248576 -0.0423542991 -0.0224025238 -0.1208060312 0.1095999385 0.3825071132 -0.2098050966 0.3612736070 -0.0873296348 0.0358228235 -0.0223770931 -0.0101862311 -0.1743027636 0.0804131521 0.2836265727 -0.1926300973 0.2617701921 -0.1254011055 0.0043618226 0.0037116742 -0.0127218171 -0.0173879550 -0.0314506682 0.0600153597 -0.0032953785 0.0328219257 0.0325843642 0.0008503439 0.0232018089 0.0140711127 -0.2362974921 -0.1520309592 -0.0566358263 0.1433763799 0.0856897053 -0.1577247915 0.0354309939 -0.2937327997 0.0645603204 0.0016320719 -0.0012717495 0.0111930991 0.0126327751 -0.0242027322 -0.0038674739 -0.0246451572 0.0583183024 0.0016214804 0.0002795150 -0.0033452440 0.0006027716 0.0046537715 0.0030266952 -0.0098942117 0.0512325525 0.0823849631 -0.0018023450 -0.1335179906 -0.0107831914 0.0869257828 0.0120197745 -0.1263042967 0.0836266225 0.0045820048 0.0007986081 -0.0050762151 -0.0204142564 0.0030189845 -0.0090112356 -0.0016124788 0.0088148797 0.0197649625 0.0020898107 -0.0006971797 0.0037691953 -0.0248706507 0.0352654982 -0.0204914181 -0.0213776759 -0.0207755420 -0.0317269747 0.0004924685 -0.0018120966 0.0028638798 -0.0007142344 0.0005962513 -0.0013334220 0.0021848501 0.0066879527 -0.0083390548 -0.0164163716 -0.0143812586 -0.0196546144 0.1532437535 -0.0503431994 0.1539242241 -0.0330712645 0.1212690389 -0.0127288656 -0.0761702607 0.1053298581 0.1020441257 0.0112343523 0.0078913439 0.0679731556 -0.0196997792 0.2699969858 -0.4334254912 0.0799984183 -0.3862815380 -0.3593528411 0.0055980533 0.0076392662 0.0018949125 -0.0141929367 -0.0699901258 -0.0861599825 -0.0724810841 -0.0479640144 0.0779990954 -0.0002676523 -0.0038913434 -0.0027967007 0.0007534914 0.0035104782 -0.0014396016 -0.0010362981 -0.0216927955 -0.0029951042 -0.0110505634 -0.0013198249 0.0198473577 -0.0105373269 0.0164345668 0.0098394359 0.0585167484 -0.0405443564 -0.1561631498 0.0826676464 -0.1479192631 0.0355632971 -0.0130594626 0.0082630305 0.0038521437 0.0621421455 -0.0313380684 -0.1054025804 0.0713464715 -0.0964777903 0.0464177113 -0.0021280380 -0.0019077887 0.0050465269 0.0081843362 0.0118737266 -0.0247133755 0.0024241156 -0.0124088338 -0.0124250365 -0.0003891136 -0.0095700655 -0.0055067657 0.0991623005 0.0623904988 0.0222543010 -0.0599294905 -0.0350121317 0.0650019552 -0.0147002273 0.1225464594 -0.0281540967 0.0007365176 0.0005284011 0.0034410156 0.0004855192 0.0003355631 0.0007143778 -0.0018410909 0.0000194803 0.0012253696 -0.0014350707 0.0039540585 -0.0037464994 0.0085460660 0.0053317554 -0.0170537157 0.0853649597 0.1471794105 -0.0032242200 -0.2333558853 -0.0178788930 0.1549688865 0.0203496214 -0.2223174244 0.1417195713 0.0078786979 -0.0001280281 -0.0101147281 -0.0348855683 0.0133654818 -0.0168667940 -0.0025458836 0.0179439636 0.0428118045 0.0028829857 -0.0018482965 0.0083328057 -0.0345192368 0.0623938660 -0.0450280260 -0.0364385353 -0.0367888981 -0.0537445503 0.0011822187 -0.0003222713 0.0001711566 -0.0010989869 0.0004943027 -0.0009015137 0.0014900897 -0.0016826970 0.0045057763 -0.0051843479 -0.0091161141 -0.0059360705 0.1081060252 -0.0057529951 0.0563357341 -0.0237531945 0.1104980356 -0.0174525569 -0.0774716953 0.0333054600 0.0367515389 0.0034984790 -0.0003298401 0.0239905266 -0.0051056642 0.0974634599 -0.1624655546 0.0385727372 -0.1387610419 -0.1263101218 -0.0013619288 0.0029307459 0.0020278420 0.0108705360 -0.0230678000 -0.0265768058 -0.0115073831 -0.0123449575 0.0149536335 0.0005286890 -0.0077133100 0.0002264183 -0.0000069917 -0.0044322060 -0.0004801137 0.0143839834 0.0247898571 0.0030182889 0.0151668496 -0.0011339447 -0.0169702054 0.0026337181 -0.0041348646 -0.0010693283 -0.0115295208 0.0093312733 0.0361202048 -0.0270211674 0.0316720604 -0.0093027407 0.0017868543 -0.0002264263 -0.0000039968 -0.0071204846 0.0018882527 0.0089374134 -0.0080539597 0.0077068364 -0.0043966789 0.0010719405 0.0005093031 0.0007699672 -0.0079006914 0.0063526109 -0.0049935622 -0.0038595831 -0.0075390788 -0.0075231083 0.0004848119 0.0018862593 0.0008277703 -0.0215268030 -0.0128315423 -0.0039703946 0.0110319991 0.0070715281 -0.0130916962 0.0031989489 -0.0246217628 0.0075027161 0.0006504899 0.0000897508 -0.0002047752 -0.0052899599 0.0101973293 0.0024899643 0.0118083524 -0.0250275018 -0.0003784288 0.0000084181 0.0015268425 -0.0013040051 -0.0166523605 -0.0159151508 0.0244695764 -0.1590565187 -0.2112719109 0.0011694742 0.4082806970 0.0433370669 -0.2219860801 -0.0352820812 0.3897068057 -0.2458089535 -0.0158208845 0.0112439692 0.0281899666 0.1000788124 -0.1018532718 0.0477894523 0.0174174506 -0.0515373603 -0.1584727464 0.0368336413 -0.0109729774 0.0316485721 -0.1992123385 0.3131487601 -0.1976545264 -0.2224389152 -0.2044278153 -0.2278396500 0.0036787226 0.0058829735 -0.0087990363 -0.0010301264 -0.0010792110 0.0021346799 0.0139882094 -0.0242271212 0.0516207692 -0.0028558899 0.0081438479 0.0020389059 -0.1099423514 0.0057932353 -0.0579545323 0.0347139463 -0.1397286918 0.0573024460 0.1328567075 -0.0297285420 -0.0368166544 -0.0065452382 0.0075254696 0.0068570985 0.0129477646 0.0290429486 -0.0194281935 0.0122524530 -0.0351698238 -0.0402070515 0.0073724417 -0.0034491327 -0.0037650444 -0.0262390020 0.0171920480 0.0180505084 -0.0242088519 0.0149195885 0.0142686269 -0.0043773317 0.0111193125 -0.0103054040 -0.0044323189 0.0071136074 -0.0007282845 -0.0048247341 -0.0373876754 -0.0030190908 -0.0080039693 -0.0039564077 0.0245378066 0.0036632093 -0.0044952082 -0.0030142938 -0.0038069915 0.0149549921 0.0368600545 0.0084906222 0.0459212877 -0.0032649063 0.0317790416 -0.0281965404 -0.0157218000 -0.1919941418 0.0860808175 0.3112259872 -0.1758108588 0.2979415283 -0.1271665698 -0.0110882209 -0.0208508854 -0.0168376018 0.0858843909 -0.0898397229 0.0485775069 0.0300542715 0.1019281510 0.1318797180 -0.0044824741 -0.0352523663 0.0028102552 0.4095969927 0.1266276003 -0.0542070743 -0.3134662403 -0.0434944227 0.1353794567 -0.0675891867 0.5234855485 -0.1007391376 0.0007408350 -0.0007864516 0.0081835545 0.0081400399 -0.0156455658 -0.0021080244 -0.0204036297 0.0385378571 0.0021986183 0.0001227315 -0.0021368421 0.0010259339 -0.0011714081 -0.0010718839 0.0013486579 -0.0069348701 -0.0131157215 0.0001950767 0.0234685050 0.0018621504 -0.0144584067 -0.0016556143 0.0235716857 -0.0120965666 -0.0009700373 0.0017756105 0.0020577144 0.0068941319 -0.0111715963 0.0032833669 0.0003158185 -0.0041924961 -0.0137129430 0.0024424254 -0.0009457520 0.0017386167 -0.0164730541 0.0202440239 -0.0094109830 -0.0122825017 -0.0127108499 -0.0154036240 0.0001422741 0.0001978605 -0.0001698251 0.0000922675 0.0000335632 0.0001693011 0.0012338139 -0.0002635016 0.0015312740 0.0101519879 -0.0287235964 -0.0095261100 0.4001278762 -0.0322456635 0.2320945014 -0.1262887523 0.5027793041 -0.2121013716 -0.4840709585 0.1216603095 0.1455232889 0.0250191966 -0.0236998667 -0.0267361092 -0.0805027008 -0.1283528732 0.0927125522 -0.0434444565 0.1473942995 0.1617578713 -0.0203415325 -0.0065826464 0.0032843810 0.0965133275 0.0245635941 0.0466997909 0.0619031536 0.0534374695 -0.0746764746 0.0044721067 -0.0106005955 0.0094026112 0.0056481772 -0.0067865335 0.0012144032 -0.0261264425 0.0247352295 -0.0051168752 0.0080761328 -0.0042349817 -0.0047848918 0.0030482279 -0.0061249538 -0.0046416942 -0.0235012229 0.0145470347 0.0566243017 -0.0177489220 0.0569723815 -0.0110755359 0.0122859947 -0.0087177007 -0.0048517829 -0.0668261013 0.0283022943 0.1050750213 -0.0635260358 0.0994741799 -0.0445332160 -0.0032551402 -0.0056156022 -0.0049657675 0.0211534375 -0.0242998046 0.0134137006 0.0082079704 0.0274219583 0.0346757308 -0.0013045950 -0.0082441284 0.0014203881 0.0992633819 0.0288083882 -0.0150918908 -0.0741279549 -0.0092172836 0.0308948830 -0.0160318721 0.1247310840 -0.0268895277 -0.0007509715 0.0005142952 -0.0085112932 -0.0087866460 0.0174637169 0.0031820321 0.0219802900 -0.0446095325 -0.0015070637 0.0004094189 0.0021845982 0.0002727497 0.0019676731 0.0015971837 -0.0021151292 0.0065599123 0.0244608575 -0.0006071260 -0.0365688609 -0.0012718138 0.0274605364 0.0016096957 -0.0390906198 0.0150963867 0.0023371388 -0.0033632966 -0.0031117535 -0.0141595927 0.0186881261 -0.0056884639 -0.0001936861 0.0061601631 0.0219306989 -0.0044540254 0.0017291408 -0.0033877049 0.0293009792 -0.0352717316 0.0160476887 0.0201636593 0.0219135032 0.0269999699 0.0011142466 -0.0013204780 0.0016992896 -0.0017799265 0.0005615452 -0.0017565402 -0.0003068292 0.0003796270 -0.0003559647 0.0001516090 0.0000263329 -0.0005505958 0.0011566564 -0.0036157665 0.0070167612 -0.0011970101 0.0012705693 -0.0034175441 -0.0041505574 0.0044394124 0.0041271491 0.0004957238 0.0002648849 -0.0001650261 -0.0042716379 -0.0023612449 0.0013687864 0.0000309707 0.0017633744 0.0015057071 0.0007258398 -0.0017008781 -0.0007563652 -0.0005158028 0.0056680317 0.0078895037 -0.0035983091 0.0083310050 -0.0004962473 -0.0018562996 0.0045233483 -0.0003310351 -0.0001253393 0.0040775518 0.0019693923 -0.0163384752 -0.0163154505 -0.0028574527 0.0048553319 -0.0016081217 0.0103408215 -0.0021693458 -0.0019980177 -0.0041327639 0.0094272351 0.0070905738 0.0021407684 0.0303844619 0.0070563559 0.0025776893 -0.0137668383 0.0005388557 0.0001398845 0.0099742516 -0.0094594774 -0.0307522394 0.0453436157 -0.0069069688 0.0265841074 0.0439768611 -0.0006202058 0.0338893678 -0.1421433850 0.1688495353 -0.1707162519 -0.1334102727 -0.1997970328 -0.1295075707 0.0417729320 -0.0085005746 0.0171255618 -0.1230102051 -0.3539240905 -0.3318379952 -0.4972093199 0.2627162726 -0.3059547128 -0.0319950625 0.2342474416 0.3456774026 0.0002241852 -0.0002934954 0.0009759787 0.0030744155 -0.0056630298 -0.0011914628 -0.0065930466 0.0125226585 0.0000719232 0.0000511764 -0.0004970457 0.0001564405 0.0000896509 0.0001092594 -0.0000115387 0.0003483931 0.0004804914 0.0000486158 -0.0016399611 -0.0002938971 0.0004807111 0.0000291880 -0.0016998612 0.0005365857 0.0001486235 -0.0000393604 -0.0001541779 -0.0010616276 0.0004863289 -0.0003822425 -0.0000309533 0.0002997609 0.0008905357 -0.0005048715 0.0003093429 -0.0007112205 0.0028215205 -0.0051371880 0.0037104807 0.0037692370 0.0033457197 0.0032669528 -0.0002004882 -0.0005260372 0.0010161763 -0.0000655152 0.0000944407 -0.0003559412 0.0006355399 0.0031244781 -0.0039713057 0.0015833729 0.0017205802 -0.0001991573 -0.0251071828 -0.0108013786 0.0085478206 0.0006801951 -0.0233845897 -0.0081038705 0.0056113922 0.0069273201 0.0056831650 0.0003169180 0.0005151049 -0.0017501753 0.0000659502 -0.0057909014 0.0097286361 -0.0033517483 0.0078032359 0.0058754296 -0.0002858400 -0.0000214812 0.0000901054 -0.0009555912 0.0015437865 0.0017113898 0.0019323557 0.0000180011 -0.0017218269 -0.0002065689 0.0000033466 -0.0012313704 0.0000558323 0.0003505260 -0.0000473066 -0.0012020472 -0.0014334842 -0.0003596155 0.0008917781 -0.0005328517 0.0015350387 -0.0001321865 -0.0001765214 -0.0001190801 0.0004422384 0.0002537640 0.0001106785 0.0006438617 0.0003757668 0.0000625711 -0.0000825474 0.0001571813 0.0000783006 0.0006174245 -0.0003459465 -0.0011431291 0.0006440430 -0.0011293070 0.0004619816 0.0000277022 0.0000058128 -0.0000153044 -0.0002220432 -0.0000112155 0.0001915637 -0.0000670268 0.0000284386 0.0000948990 -0.0000325781 -0.0000099205 -0.0000454399 0.0001018676 0.0003255610 0.0002900977 0.0002220335 -0.0002250510 0.0002657354 -0.0000228341 -0.0000166015 0.0000187769 0.0000582404 0.0000861204 0.0007769766 0.0000729076 -0.0004959577 0.0000586774 -0.0001807603 0.0016733929 0.0003383124 0.0000835160 -0.0001906617 0.0001613782 0.0410150358 -0.0301493937 0.0053111066 -0.5908052112 0.4064192041 -0.0417675417 0.0370473900 0.1365807771 0.4394194234 -0.0895320763 -0.0577151585 -0.4904178703 0.0269234427 -0.0146321000 -0.0012355172 -0.0483388652 0.0604550611 -0.0118337449 -0.0626043965 -0.0334765224 0.0419747350 -0.0065628002 0.0009550868 0.0027757511 0.0107205686 0.0032304486 -0.0171260704 -0.0110483174 -0.0022065134 0.0002999204 0.0004648213 0.0032671424 -0.0011870349 0.0016954264 -0.0019533560 0.0012211558 -0.0073460963 0.0026341252 -0.0079807663 0.0066798040 0.0053247091 -0.0173881548 -0.0358337575 -0.1367541650 0.2290312516 -0.0289365817 -0.0353322647 -0.1102028813 -0.0880034110 0.1500346305 0.1372082977 0.0161687308 0.0113682774 -0.0060842955 -0.1335003642 -0.0781907944 0.0551710290 -0.0184942326 0.0565886551 0.0431380527 0.0207769321 -0.0566832719 -0.0278457751 -0.0037812998 0.2193170749 0.2943362122 -0.1053171629 0.2975490182 -0.0395065337 -0.0619295924 0.1496106922 -0.0679521060 -0.0629435526 0.0669014919 -0.0077818926 0.2131762508 -0.2268048558 0.0459685992 -0.0593379135 0.0407436394 0.0334388089 -0.0053033723 0.0166631068 0.0167949745 0.1085515458 -0.0289079728 -0.1719194303 0.0620229893 -0.1615836974 0.0378127626 -0.0110170373 0.0035630721 0.0023031362 0.0464856074 -0.0137530349 -0.0628605995 0.0403718734 -0.0613703454 0.0287980177 0.0003805455 0.0019259746 0.0005028684 -0.0010308607 0.0025612333 0.0020241412 0.0012171956 -0.0021558372 -0.0061140065 -0.0025333643 0.0016111033 -0.0024063370 -0.0097722121 0.0205430729 0.0268551175 0.0449377466 -0.0171767955 0.0164526853 0.0044389575 -0.0356942807 -0.0134279992 0.0072732672 -0.0088795188 0.0661407581 0.1054521043 -0.1990619746 -0.0392528378 -0.2358235616 0.4596671269 0.0084839371 0.0041365341 -0.0206247506 0.0103492717 -0.0013993935 -0.0017097892 0.0029626685 -0.0177795502 -0.0349554652 0.0000745153 0.0406776264 -0.0007632684 -0.0341691625 -0.0035172292 0.0431106219 -0.0243491445 -0.0009045640 0.0058114341 0.0063954362 0.0017655120 -0.0277602105 0.0072116820 0.0085156205 -0.0064056701 -0.0328142796 0.0073989999 0.0020645815 -0.0029843746 -0.0661123971 0.0424042108 0.0127640932 -0.0236268161 -0.0260142071 -0.0508238584 -0.0001147121 -0.0191482744 0.0245208163 -0.0058103706 0.0066787606 -0.0113636701 0.0422990679 0.0633717892 -0.0586077469 0.0271237666 0.0275022988 -0.0367742587 -0.3885529733 -0.3736949124 0.5011981028 -0.0237337331 -0.3699400032 -0.2404421771 -0.0385963640 0.3423966342 0.3059522170 0.0236466800 0.0057439263 -0.0161312028 -0.0246668200 -0.0381887273 0.0343038648 -0.0605170332 0.0314533320 0.0084229697 -0.0136303287 0.0099829009 0.0094182121 0.0031453241 -0.0406241375 -0.0496537075 0.0398279025 -0.0605539281 -0.0100346349 0.0126726570 -0.0296559432 0.0156474725 0.0102833347 -0.0108256648 0.0009530334 -0.0345217597 0.0337015821 -0.0077060007 0.0073519217 -0.0077822010 -0.0019582850 0.0004289240 -0.0011217520 -0.0017999966 -0.0139060975 0.0013073618 0.0161163997 -0.0052991949 0.0142063771 -0.0036631131 0.0011149226 -0.0005334103 -0.0002476027 -0.0046502632 0.0013597208 0.0065142860 -0.0040207263 0.0066830811 -0.0029875434 -0.0003241111 -0.0001183568 -0.0001563289 0.0014703880 -0.0011949632 0.0005001167 0.0006935775 0.0012481649 0.0011165985 0.0001579644 -0.0000934023 0.0001355734 0.0009417539 -0.0006897727 -0.0010834984 -0.0023926976 0.0005573048 -0.0002324339 -0.0002226206 0.0021306584 0.0000690570 -0.0015656189 0.0018667680 -0.0136987768 -0.0177376583 0.0361094469 0.0068390324 0.0408711645 -0.0823664081 -0.0014161608 -0.0006303907 0.0045849356 -0.0030022251 -0.0012775894 -0.0000511001 0.0005069269 0.0129984321 -0.0057684867 0.0017178049 -0.0002196886 -0.0036185528 -0.0107415193 0.0013416471 0.0042021890 0.0096826054 -0.0045214389 0.0073669032 0.0045288627 0.0270424955 -0.0722476873 0.0073729558 0.0300870951 -0.0134227386 -0.0758446627 -0.0007458183 0.0003862923 0.0010763327 0.0062108832 -0.0012181413 -0.0023947541 0.0035730473 0.0009744427 -0.0028548691 0.0023844155 -0.0018394163 -0.0011413428 -0.0006811072 0.0018230692 -0.0018844412 0.0001849501 -0.0104768655 0.0171568385 -0.0000464812 0.0074338838 0.0086852978 -0.0142646520 0.0145556806 -0.0665697151 -0.0039380997 -0.0149786381 -0.0050381018 0.0026492641 -0.0402498522 -0.0431731559 -0.0036441514 -0.0014191841 0.0012600646 -0.0015385405 0.0253808979 -0.0431888155 0.0806967980 -0.0213009189 -0.0145034207 0.0020135320 0.0028923387 0.0215904685 -0.0171390642 -0.1127522290 -0.0997307208 0.0191988018 -0.0851112802 0.0538558152 -0.0326513290 0.1144101024 0.4327025161 -0.0144227624 0.0013253339 0.0107614866 0.0153932436 0.0347198114 0.0315310577 -0.0342409301 0.0381642289 -0.0731140633 -0.0004096017 0.0071753488 -0.0035660758 -0.0255945303 -0.0136109961 -0.0103696383 0.0212432732 -0.0099886929 0.0052959157 0.0045351148 -0.0025150448 0.0000500301 -0.0235305727 0.0131418982 0.0363111541 -0.0474135773 0.0359466744 -0.0173638754 -0.0002609993 -0.0011581626 -0.0024684149 -0.0042971696 -0.0028084287 0.0025646346 0.0025128155 0.0038252885 0.0001536080 0.0003497604 -0.0001663784 0.0009027306 0.0017152497 0.0001123687 0.0016817180 0.0017337514 0.0008643162 0.0002538540 0.0003634195 -0.0001103535 -0.0072476737 0.0029513760 -0.0284405262 -0.2372578219 0.0599504771 -0.0632935545 -0.0773218309 -0.0098403195 -0.0948331262 -0.0886563976 -0.0019328258 0.0035421459 -0.0384611986 0.0004764820 0.0048362978 0.0038390499 -0.0581640249 -0.0676099623 -0.0002906097 0.0213171486 -0.0036532779 -0.0304320713 -0.0127675419 -0.0017748968 -0.0513123565 0.0116130929 -0.0043840856 0.0025640363 -0.0726407871 0.0602602231 -0.0063438971 -0.0263666978 -0.0015575174 0.0680361118 -0.0109172632 0.0369159878 -0.0150672486 0.0201418979 0.0223135595 -0.0663833393 0.0480129533 -0.0247757240 -0.2630996630 0.1926298579 -0.2839028162 0.3313729987 -0.1604633289 0.1692629340 -0.1912233605 0.1561663930 0.1199167148 -0.4191673032 0.0011143975 0.0000373667 -0.0041487169 -0.0037733226 -0.0085952782 0.0390117532 0.0016451671 0.0022710626 -0.0080828638 -0.0168684455 0.0130821529 0.0146971408 -0.0050306239 -0.0012097428 -0.0023540399 0.0252395258 0.0175027709 -0.0210745790 0.0696980643 -0.0093595127 -0.0063653739 -0.0019820224 0.0044911439 0.0275889857 -0.0074212364 -0.1042611472 -0.0852661118 0.0312919104 -0.0659519931 0.0405005817 -0.0766179364 0.2235955676 0.5016668263 -0.0085992382 0.0102943722 0.0183934143 0.0201501824 0.0280208969 0.0436072015 -0.0606506224 0.0608279845 -0.1190613002 -0.0029865831 0.0091060209 -0.0046001957 -0.0370720145 -0.0265339191 -0.0132726089 0.0290580187 -0.0143311845 0.0064331717 0.0022862109 -0.0021943292 0.0001612142 -0.0036923862 0.0226366562 0.0375477092 -0.0451392791 0.0333938159 -0.0139273517 0.0011815953 -0.0006880622 -0.0037571058 -0.0103265994 -0.0005482821 0.0068938101 -0.0056380712 0.0023417986 0.0037528960 -0.0008707573 -0.0002970014 0.0007497681 0.0036210736 0.0020295376 0.0014719166 0.0069931486 0.0002815568 -0.0006564714 0.0010121515 -0.0017441599 -0.0059764632 0.0066976501 -0.0445050093 -0.2716719764 0.0697000697 -0.1607912061 -0.1042313942 -0.0943138767 -0.0055346921 -0.1226834791 0.0127760015 -0.0228870144 -0.0361437608 0.0010627255 -0.0021389756 -0.0014226533 0.0258921219 0.0420495135 0.0002287344 -0.0172121491 0.0027799374 0.0197649180 0.0064275742 -0.0012153111 0.0248180191 -0.0155711840 -0.0020745336 -0.0108500886 0.0952751983 -0.0288035215 0.0074283998 0.0277473266 0.0159857259 -0.0322756979 0.0215119476 -0.0190289698 0.0236693396 0.0613568962 -0.0257297649 -0.0774745127 -0.0533686275 0.0106046209 0.1881659249 -0.2502366795 0.2564269686 -0.3029554159 0.1778634807 -0.1726548123 0.1903046371 -0.0260522313 0.0915730083 0.2947110640 0.0000833488 0.0011183967 0.0014841837 0.0060941680 -0.0177881600 -0.0116875979 -0.0074276887 -0.0008577643 0.0028163599 0.0001377835 0.0073792518 -0.0087405030 0.0001369127 -0.0002990720 -0.0001771431 -0.0017726211 0.0031796582 0.0017252845 0.0001457428 0.0001081498 0.0003623770 0.0000110934 -0.0001149143 -0.0000441159 -0.0000252974 0.0009236368 -0.0006664366 0.0004590569 0.0002436304 0.0009163676 0.0004701354 -0.0001198200 -0.0000978300 0.0002005179 0.0006422974 0.0007486054 0.0022311368 0.0009150204 -0.0042414865 -0.0065466570 -0.0017691480 -0.0048504033 -0.0002193118 0.0003140543 -0.0000434905 0.0001889240 -0.0010431571 0.0005027734 -0.0001262670 -0.0001665427 0.0003149410 0.0000046398 0.0000927720 0.0000094614 0.0008604731 -0.0013869916 0.0009492138 0.0005092084 -0.0001344754 -0.0012363472 0.0000377278 0.0000906749 0.0000865901 -0.0000538051 -0.0008977752 -0.0004890706 -0.0002359070 0.0003382238 -0.0002822893 0.0000349030 0.0000387450 0.0000063784 0.0000700229 -0.0001685441 0.0001161672 -0.0001226258 -0.0002860297 -0.0001725600 -0.0003540707 -0.0000092507 -0.0000267753 -0.0002300385 0.0000006628 0.0001899219 -0.0005534702 0.0000029181 0.0009043305 -0.0009065207 0.0002720154 -0.0052557035 -0.0001412940 0.0002042998 -0.0000492183 0.0000771802 0.0007826769 0.0001001529 0.0007636059 -0.0012346489 -0.0060498414 0.0038769630 -0.0105893342 0.0028000640 -0.0047857836 0.0014725649 0.0017100520 -0.0003411813 -0.0002499332 -0.0003218107 0.0014235126 0.0001476800 0.0050526818 -0.0028850969 0.0050600521 0.0005495789 -0.0031003290 0.0057159930 -0.0010010495 0.0011289584 0.0039679467 -0.0035194206 0.0338635597 -0.0759776409 0.0176753394 0.0486069333 -0.0596496527 -0.0354397447 0.0007559309 -0.0007781316 0.0017084307 -0.5737692793 0.7122057208 0.3846580797 -0.0002445850 -0.0001291663 -0.0001944702 -0.0006282572 0.0031346744 0.0015318315 0.0035027702 0.0005183290 -0.0013831771 -0.0000062604 -0.0022105593 0.0021686057 -0.0000773366 0.0001395150 0.0001730743 0.0005431334 -0.0019990651 -0.0011191239 0.0001224275 0.0007466655 -0.0007495981 0.0002640641 0.0002309578 -0.0001475056 -0.0003313683 -0.0035054435 0.0033715350 -0.0023296397 -0.0006644316 -0.0028232973 0.0009776784 -0.0008273806 -0.0014729744 0.0239066899 0.0670048528 0.0105478630 -0.0536431696 0.0010266109 0.2398012697 -0.2277869888 -0.8086424527 -0.3633742700 0.0119948435 -0.0176084135 0.0001379765 -0.1169236318 0.2200448801 -0.1241238364 -0.0276934536 -0.0012890437 0.1270006461 -0.0000254812 0.0003629422 -0.0004743809 0.0033871984 -0.0100152964 0.0057172634 -0.0009514135 -0.0001125153 0.0004792134 0.0000017994 0.0004003295 -0.0000583823 -0.0008073995 -0.0016297208 -0.0015002677 -0.0003074141 -0.0019241588 0.0008705264 0.0001094453 0.0003068643 0.0000377651 0.0006178907 -0.0010567532 0.0009612976 -0.0005439863 -0.0024801031 -0.0008918105 -0.0011698343 0.0000911816 0.0000666242 -0.0000765173 -0.0000781702 0.0006182450 -0.0007785541 0.0011682425 -0.0004771374 -0.0027847838 -0.0008235009 0.0076394621 -0.0001941991 0.0003396179 0.0000332207 -0.0000071703 -0.0001878200 -0.0000106022 0.0000070745 0.0001618482 0.0009396856 -0.0008512751 0.0024048094 -0.0007230346 0.0008928222 -0.0001554823 -0.0001736180 0.0000223351 -0.0002179145 -0.0002133571 -0.0003168185 0.0000586193 0.0034962759 -0.0000565799 0.0013818934 -0.0006460754 0.0017617899 -0.0012882526 0.0016599900 -0.0083797660 -0.0126857117 -0.0088005931 -0.0123017641 0.0283946355 -0.0097263520 0.0008880979 0.0002109990 0.0004746481 -0.0002320391 0.0000761365 -0.0003268071 -0.0051893617 -0.0042985746 -0.0020217505 0.0006963987 0.0001582087 0.0008656342 0.0028231099 -0.0097679471 -0.0049493228 -0.0108491030 -0.0013396793 0.0042874131 -0.0000303960 0.0095281433 -0.0094515284 0.0001546457 -0.0003195540 -0.0003848986 -0.0016118516 0.0047765618 0.0027083381 -0.0001275225 -0.0014686980 0.0015425474 -0.0004231695 -0.0005496100 0.0002641735 0.0005062077 0.0069457674 -0.0063331527 0.0035111466 0.0011386779 0.0043904253 -0.0005184751 0.0007128144 0.0008220402 -0.0088595829 -0.0219013395 -0.0028603388 0.0199795869 0.0013304016 -0.0792473738 0.0771507101 0.2568232545 0.1146896450 0.0387398623 -0.0573979674 -0.0006031388 -0.3754127458 0.6779685241 -0.3801211436 -0.0885374087 0.0000359389 0.3790046487 0.0001012313 0.0027172334 -0.0000171810 0.0110253318 -0.0241960265 0.0150782941 -0.0000216355 -0.0012412790 -0.0051753630 -0.0018674285 0.0013572604 -0.0037895946 0.0036121593 0.0237834059 0.0117282106 0.0147749434 -0.0412933862 0.0282163592 -0.0001059496 0.0009273951 0.0007552644 -0.0007127955 0.0026927778 -0.0017396144 -0.0022178742 -0.0143893114 -0.0065759007 0.0037376512 0.0011386251 0.0010322495 0.0001143926 -0.0000171514 -0.0004120492 0.0005064694 -0.0000865377 0.0003310724 0.0011226156 -0.0001454542 -0.0074739738 0.0001761512 -0.0003380744 0.0000025970 0.0002899489 0.0004215726 0.0000151439 0.0001976123 -0.0000223982 -0.0033324382 0.0019536588 -0.0056992061 0.0019643073 -0.0053212177 0.0006628487 0.0012453926 0.0000358431 -0.0000208823 -0.0000222704 0.0000289878 0.0000012670 0.0001241985 -0.0003896499 0.0007658736 -0.0001604823 -0.0014174753 0.0006501406 -0.0014293247 0.0083306337 0.0129710609 0.0092689146 0.0085128623 -0.0205986327 0.0070875366 -0.0007733778 -0.0000617986 -0.0003253700 0.0003110561 -0.0001526880 0.0002827685 0.0021844016 0.0015384941 0.0001535141 0.0331777029 -0.0024344903 0.0383531323 0.1190521292 -0.3755155659 -0.1847425228 -0.5041987624 -0.0597804476 0.2016841499 0.0003223022 0.4725477188 -0.4647607049 -0.0070779504 0.0131667940 0.0118264584 0.0747666372 -0.2127966776 -0.1185737642 -0.0008462629 0.0440627267 -0.0330885128 -0.0011751937 -0.0004883266 -0.0004908610 0.0017888276 0.0074593008 -0.0064503422 0.0128783515 0.0048856548 0.0158763119 0.0000600682 -0.0002073014 -0.0001677693 0.0002243818 0.0006913691 0.0000724124 -0.0005563419 0.0000005108 0.0023377388 -0.0022123675 -0.0080738411 -0.0034727188 -0.0006131116 0.0009064088 0.0000097036 0.0061517331 -0.0108059685 0.0060884617 0.0013857593 0.0000148025 -0.0059660749 0.0000793092 -0.0001420904 -0.0000640613 -0.0006901611 0.0012700750 -0.0008677529 -0.0005385774 0.0001686783 0.0014142748 0.0002623588 -0.0000302954 0.0004899429 -0.0011045032 -0.0041986330 -0.0023268694 -0.0019656327 0.0046150637 -0.0032811931 0.0000846693 0.0000160036 -0.0001283175 0.0005652957 -0.0012245713 0.0009510353 0.0001796866 0.0012432421 0.0006545107 -0.0016433105 -0.0002201276 -0.0001686038 0.0000289936 0.0000228901 0.0000898861 0.0001594605 0.0001952117 0.0000277710 -0.0003503388 -0.0003541112 0.0009170609 -0.0000333554 -0.0001162298 -0.0001750262 -0.0007781782 -0.0003844175 -0.0000087767 -0.0003634742 -0.0000261381 0.0049599723 -0.0022123940 0.0062791527 -0.0020917745 0.0115389701 -0.0014679840 -0.0026979347 0.0005235201 -0.0010616388 -0.0002952460 -0.0013072194 -0.0001818099 0.0086953745 -0.0042043103 0.0121303440 -0.0053104394 0.0006837039 -0.0007546063 0.0006639143 -0.0024523091 -0.0040659403 -0.0026834063 -0.0055131302 0.0128517585 -0.0040985630 -0.0015725123 0.0014583650 -0.0002379683 0.0002510157 -0.0002851598 0.0005050669 0.0113957569 -0.0129635243 -0.0056030181 0.0042204634 0.0029097043 0.0149203098 0.0453366056 -0.1496199697 -0.0745801103 -0.0866229384 -0.0103781051 0.0313991696 -0.0016921120 0.1274598691 -0.1244508206 0.0203912821 -0.0424978507 -0.0490136340 -0.2488394954 0.7117118158 0.3953981038 0.0067145069 -0.2038896582 0.1755146545 0.0103011538 0.0195019517 -0.0008862466 -0.0039547773 -0.2027064177 0.1769527938 -0.1212900904 -0.0429650411 -0.1746927375 0.0002296271 -0.0004913414 0.0001844636 0.0000281332 0.0001547800 0.0000160093 -0.0001103748 -0.0000460439 0.0004632563 -0.0003983454 -0.0016198407 -0.0006645294 -0.0001126607 0.0001339618 0.0000710048 0.0010456285 -0.0016289653 0.0010260181 0.0004549594 -0.0000126191 -0.0019567329 0.0001249622 -0.0000969407 -0.0003330516 -0.0002152237 0.0004608227 -0.0004030779 -0.0015832629 0.0004711252 0.0043606035 0.0017642141 -0.0004005699 0.0030254251 -0.0072114561 -0.0254127180 -0.0140114403 -0.0136244111 0.0303713783 -0.0215886122 -0.0004646136 -0.0000319327 0.0001641402 -0.0012183252 0.0021685144 -0.0017049612 -0.0007014594 -0.0028590459 -0.0015079077 0.0075119675 0.0010151921 0.0010059158 -0.0000635138 -0.0000784019 -0.0000336992 0.0000771372 0.0001418062 -0.0000259614 -0.0001553467 -0.0001998384 0.0007342469 -0.0004163857 0.0010144190 0.0005441593 -0.0020868825 -0.0029562736 -0.0002816204 -0.0027109829 -0.0010144145 0.0272045363 -0.0142076290 0.0403670223 -0.0144552940 0.0409725102 -0.0046963859 -0.0096324901 0.0002903267 -0.0003272754 -0.0003576819 -0.0010710013 -0.0003616618 0.0070093324 -0.0015519933 0.0046061116 -0.0024382878 0.0007521218 -0.0006959007 0.0007303595 -0.0034211924 -0.0047095876 -0.0034764850 -0.0055093821 0.0130083775 -0.0045109526 -0.0007097087 0.0006237290 -0.0002208151 0.0001603306 -0.0001972458 0.0002572444 0.0047016177 -0.0050980347 -0.0020727963 -0.0000613046 0.0000337593 -0.0004610118 -0.0011066235 0.0035286302 0.0017837295 0.0016486220 0.0001848891 -0.0005752564 0.0000546002 -0.0040950103 0.0040084709 -0.0004797155 0.0010419502 0.0011617110 0.0060148939 -0.0171675822 -0.0095514215 -0.0002526373 0.0046144780 -0.0039769728 -0.0004284344 -0.0007247186 0.0000727529 0.0002451452 0.0077333522 -0.0068110381 0.0045810437 0.0016096485 0.0064314340 -0.0001145181 0.0000962655 0.0000535951 -0.0004543566 -0.0007409062 -0.0000601610 0.0007393676 -0.0000948188 -0.0036454559 0.0039021393 0.0105414310 0.0049066593 0.0018107480 -0.0027516331 -0.0008683915 -0.0156301890 0.0316891582 -0.0159078586 -0.0053515147 0.0001754662 0.0221677070 0.0013172952 0.0002247140 -0.0064792460 0.0069585660 -0.0134958214 0.0063289743 -0.0261797167 0.0077924499 0.0727239040 0.0323148749 -0.0072187329 0.0548533102 -0.1321987901 -0.4637704405 -0.2549042391 -0.2491344454 0.5532149848 -0.3927845696 -0.0119531858 -0.0008584950 0.0062913385 -0.0377063443 0.0714140781 -0.0560707888 -0.0195774233 -0.0891979750 -0.0474924200 0.1992997194 0.0269390979 0.0250816962 0.0000778998 -0.0000129207 -0.0000334074 0.0000711511 0.0000013447 -0.0000125649 0.0000142309 -0.0001106616 -0.0002687059 0.0000477388 -0.0000831723 -0.0000239722 0.0092179828 0.0141642827 0.0015279630 0.0131805104 0.0054323853 -0.1298624746 0.0679189383 -0.1927420364 0.0693336575 -0.1874219379 0.0214239992 0.0440063434 -0.0013570684 0.0006674025 0.0039933018 0.0085339036 0.0005847548 -0.0559858523 0.0043062386 -0.0109324805 0.0061189224 -0.0009393103 -0.0001958084 -0.0008607988 0.0076919969 0.0108894500 0.0079307828 0.0038387473 -0.0084744909 0.0028413474 -0.0004169445 0.0003106109 0.0001414019 0.0000667976 -0.0000618675 0.0000338777 0.0029082092 -0.0034030685 -0.0021619691 -0.0010195306 -0.0002628671 -0.0015928667 -0.0053438417 0.0173635583 0.0083991962 0.0166157595 0.0020202287 -0.0064972476 -0.0000004941 -0.0166085620 0.0161277214 -0.0013485500 0.0028575530 0.0033838389 0.0167535854 -0.0483656859 -0.0267216649 -0.0003676476 0.0145849014 -0.0123364473 -0.0012273505 -0.0025076185 0.0003594736 0.0006137412 0.0261780692 -0.0228160438 0.0138381646 0.0048988401 0.0196414609 -0.0000393906 0.0001444175 -0.0001783278 -0.0003430560 -0.0007402688 0.0000798502 0.0011504170 -0.0000078196 -0.0047666454 0.0027951642 0.0091365835 0.0040846873 0.0009403441 -0.0013713477 -0.0004064769 -0.0083486213 0.0159931295 -0.0083865430 -0.0028341391 0.0000801848 0.0117696845 0.0003550043 0.0002106868 -0.0021109340 0.0029784159 -0.0058034472 0.0029861068 -0.0081831062 0.0024492468 0.0229065538 0.0107105993 -0.0023871274 0.0181398493 -0.0438294976 -0.1535425973 -0.0843609209 -0.0825241724 0.1831008352 -0.1299787873 -0.0042107276 -0.0003189386 0.0023834548 -0.0139381947 0.0266086943 -0.0208743812 -0.0070645620 -0.0327386447 -0.0174327477 0.0709175028 0.0095785965 0.0088511410 -0.0000104782 -0.0000163598 0.0000659727 -0.0000352344 -0.0000304487 0.0000808518 0.0000196644 0.0001243340 -0.0007849087 0.0000703645 -0.0001573238 -0.0000330042 -0.0267233299 -0.0413121999 -0.0044744808 -0.0385395013 -0.0159388883 0.3786811338 -0.1981879665 0.5620644381 -0.2022361240 0.5451813902 -0.0623445127 -0.1279886477 0.0041694947 -0.0021849191 -0.0121865753 -0.0259229804 -0.0016591061 0.1706854958 -0.0137034143 0.0350019536 -0.0190037032 0.0010136824 0.0013721240 0.0007083904 -0.0120690674 -0.0157465246 -0.0116153135 -0.0010153289 -0.0007494375 0.0007373127 0.0006952246 -0.0007317821 -0.0003496441 -0.0000151297 0.0000909615 -0.0000065924 -0.0065375131 0.0083837969 0.0048316268 -0.0006091241 0.0000900468 -0.0006542839 -0.0019837385 0.0060695407 0.0030076692 0.0089473381 0.0010094006 -0.0036060487 0.0000005047 -0.0085239158 0.0083593892 -0.0000048240 0.0001571908 0.0000536793 0.0002501911 -0.0011126118 -0.0005239074 -0.0003048418 -0.0001147060 0.0001273296 -0.0003346767 -0.0013004972 0.0006598653 0.0005104247 0.0145885172 -0.0125077964 0.0033224163 0.0014603563 0.0047061807 0.0007728668 -0.0002053406 -0.0021924694 -0.0006678550 -0.0032797147 -0.0018974474 -0.0025044250 -0.0013366652 0.0057921018 0.0104439046 0.0390405086 0.0175926988 0.0006022914 -0.0006128492 -0.0008449723 -0.0047850576 0.0077665124 -0.0043679535 -0.0028300129 0.0002670930 0.0129945006 -0.0002598114 0.0003574459 0.0002535438 0.0016667991 -0.0033576460 0.0022745858 0.0022377822 -0.0005503065 -0.0051454891 0.0001759054 0.0001025927 0.0002412622 -0.0009249353 -0.0030589132 -0.0016785327 -0.0009626438 0.0019219760 -0.0013250516 -0.0004924123 -0.0000473795 0.0007202644 -0.0034449222 0.0069392776 -0.0054237316 -0.0014846921 -0.0078029191 -0.0041541453 0.0106025756 0.0014418447 0.0011991641 -0.0002167541 -0.0000189302 0.0008115548 0.0001340581 0.0005843252 0.0004249710 -0.0006233563 0.0003358145 0.0006234297 -0.0000551672 -0.0000500825 0.0001346198 -0.0000622346 0.0052000556 0.0025227823 0.0052185767 0.0022771082 -0.0603197717 0.0234804180 -0.0616564164 0.0239556510 -0.0272496415 0.0033640853 0.0059019041 0.0048399909 -0.0065455181 -0.0263987967 -0.0452099817 0.0004278077 0.3453614534 -0.0241998745 0.0686590392 -0.0321330678 0.0429068618 -0.0241441497 0.0438554335 -0.2436547218 -0.3806939261 -0.2678003009 -0.2636480734 0.6695982269 -0.2386084486 0.0031176674 -0.0045047622 -0.0027985132 -0.0002672694 0.0003968794 -0.0000926703 -0.0310674819 0.0444384205 0.0261079298 -0.0001500847 0.0000753750 -0.0001426173 -0.0003762443 0.0010826794 0.0004938048 0.0022002292 0.0002653240 -0.0009290394 -0.0000687021 -0.0021873946 0.0020807463 0.0001231245 -0.0000902983 -0.0002780367 -0.0011823007 0.0029802638 0.0017073667 -0.0000210663 -0.0018576982 0.0017556059 -0.0006478735 -0.0014402253 0.0004262060 0.0005689348 0.0153283177 -0.0133913303 0.0064736360 0.0022600441 0.0088982994 -0.0000856535 0.0001145642 -0.0001381759 -0.0000152484 -0.0007741024 -0.0013665561 -0.0033951968 -0.0007939719 0.0137812239 0.0034419508 0.0105367443 0.0045086237 0.0005408461 -0.0041215177 0.0092521137 -0.0283063144 0.0516037516 -0.0271655362 0.0205488152 -0.0026382286 -0.0851198101 0.0005628924 -0.0003060547 -0.0036642210 0.0039648262 -0.0038079701 0.0018516224 -0.0133712880 0.0041393065 0.0408319133 0.0077139964 -0.0047989315 0.0159807084 -0.0271954762 -0.0996217494 -0.0569043745 -0.0720033038 0.1603397274 -0.1172622435 0.0251559402 0.0079120928 -0.0432088547 0.2144914825 -0.4333949309 0.3392646302 0.0775682200 0.4149748847 0.2217644816 -0.5809363494 -0.0766100168 -0.0608854349 0.0000561953 -0.0000114843 0.0000560682 0.0000793197 0.0000053398 0.0000582673 -0.0001298179 0.0002815540 -0.0013225695 0.0000613903 -0.0001038793 -0.0000022302 -0.0001230859 -0.0001143578 0.0000550122 -0.0001141305 -0.0000578298 0.0005061481 -0.0006406068 0.0017967257 -0.0006221466 0.0022708252 -0.0002735710 -0.0005497488 0.0002716392 -0.0003438147 -0.0010236675 -0.0019009418 -0.0000019800 0.0138743480 -0.0014069697 0.0039837214 -0.0017578577 0.0004540756 -0.0003509216 0.0004542362 -0.0022662441 -0.0035832102 -0.0024742896 -0.0030709845 0.0078331706 -0.0028211046 -0.0000917943 -0.0000448391 -0.0000823751 0.0000546415 -0.0000286261 0.0000450195 -0.0001853923 0.0006412972 0.0002471489 -0.0008331388 -0.0014305066 -0.0048872253 -0.0149643180 0.0464017332 0.0231537524 0.0187165813 0.0017698962 -0.0043744211 0.0034985077 -0.0356863963 0.0373156316 -0.0080124644 0.0079048783 0.0217930400 0.0896513631 -0.2360748895 -0.1325906849 -0.0030504644 0.1397546666 -0.1276319363 0.0260474919 0.0582739788 -0.0150729266 -0.0211907306 -0.6039046196 0.5267361592 -0.2674373029 -0.0923151714 -0.3665428771 0.0012973448 -0.0024009469 0.0014095067 -0.0001922416 -0.0008059357 -0.0002790025 -0.0001670026 -0.0002038974 0.0003817811 0.0023769206 0.0094756884 0.0039776761 0.0004371967 -0.0007769374 0.0004636226 -0.0057827967 0.0097630064 -0.0054284192 0.0002139240 -0.0002048503 -0.0005544303 -0.0000395549 0.0001195106 -0.0001557411 0.0009403737 -0.0014042369 0.0009958139 -0.0002457172 0.0001149157 0.0011152779 0.0004545435 -0.0006548407 0.0007724659 -0.0008153873 -0.0025517025 -0.0013642357 -0.0048425886 0.0104325980 -0.0075505231 0.0002956915 0.0001291018 -0.0009195489 0.0044072819 -0.0088458761 0.0069633636 0.0016231741 0.0084901440 0.0045627766 -0.0094540441 -0.0012358681 -0.0009298439 -0.0000395097 -0.0001769499 -0.0005326453 -0.0000274324 0.0006299308 -0.0001640026 -0.0000404343 -0.0005862053 0.0018286376 -0.0014794243 0.0021228359 0.0008121956 -0.0001855405 0.0005282938 0.0006854182 0.0006437309 0.0002320658 -0.0094341883 0.0014304477 -0.0051568420 0.0019093261 0.0007619527 -0.0004854319 -0.0003290079 0.0023858099 -0.0030961271 -0.0076172246 -0.0149928691 -0.0000064009 0.1053459051 -0.0129247633 0.0361773209 -0.0155326958 -0.0012060070 0.0016699503 -0.0011683804 0.0038204541 0.0047395029 0.0036205139 0.0103231689 -0.0247434405 0.0090176992 -0.0002003265 -0.0001784413 0.0001531164 0.0000822515 0.0000153057 0.0000126960 -0.0004706816 0.0015679212 0.0000787385 -0.0000275376 0.0004730093 0.0003892795 0.0015831051 -0.0070033319 -0.0026935947 -0.0009593953 -0.0005154164 -0.0001158254 -0.0003001388 0.0014105396 -0.0010517179 0.0011102195 -0.0011952487 -0.0031848337 -0.0129767019 0.0349778950 0.0195889486 0.0009421361 -0.0200679071 0.0180213456 -0.0028795969 -0.0067324665 0.0017521694 0.0021723664 0.0688845663 -0.0599821422 0.0300322599 0.0102592317 0.0411642209 -0.0002885215 0.0000039549 0.0003171135 0.0001848265 0.0012602103 0.0008569463 0.0012352150 0.0005566946 -0.0042685832 -0.0039382107 -0.0150585266 -0.0065410879 -0.0004354983 0.0004660043 0.0005493489 0.0034757926 -0.0057009179 0.0032326035 0.0021290166 -0.0001244810 -0.0090676630 0.0002992172 -0.0004418885 -0.0000263258 -0.0023691450 0.0047318305 -0.0031770697 -0.0015090836 0.0002899252 0.0033039609 -0.0003511015 0.0003792156 -0.0005763484 0.0008291771 0.0026828203 0.0014244266 0.0034097790 -0.0073026517 0.0052655630 -0.0001259515 -0.0001651024 0.0005385349 -0.0027725155 0.0055893410 -0.0043977070 -0.0008029996 -0.0042176831 -0.0022500161 0.0049942158 0.0006244830 0.0004553527 0.0000759460 0.0001137681 -0.0000424222 0.0001156923 -0.0000068589 -0.0001124167 0.0001980736 -0.0002363384 0.0001869097 0.0001338468 -0.0001025451 -0.0001407569 -0.0000385383 0.0101388105 0.0066959099 0.0111668479 0.0051267624 -0.1272032045 0.0380339894 -0.1189167412 0.0430679538 -0.0433904714 0.0010698839 0.0086040050 0.0198830677 -0.0272057898 -0.0578042484 -0.1173553972 -0.0010249071 0.8153145995 -0.1122959695 0.3177549961 -0.1362610014 -0.0170626267 0.0133655833 -0.0167568182 0.0834810423 0.1233627172 0.0861526389 0.1136186013 -0.2823191504 0.1018942597 -0.0022432330 0.0022333841 0.0024432011 0.0000562029 -0.0001275428 0.0000450105 0.0192885892 -0.0245533688 -0.0155010280 0.0000380980 0.0000251495 -0.0000020462 0.0000827103 -0.0002644577 -0.0001318663 -0.0005139138 -0.0000511504 0.0001876854 -0.0000077188 0.0000306302 -0.0000316396 0.0000085939 0.0000091219 -0.0000266245 -0.0000616944 0.0001184859 0.0000801105 -0.0000165737 -0.0002456437 0.0002342855 -0.0000861572 -0.0002028190 0.0000406387 0.0000547146 0.0022073846 -0.0018266824 0.0009785365 0.0003465173 0.0013483853 -0.0001271668 -0.0000133309 -0.0002449598 0.0044485925 -0.0045370272 -0.0256441428 -0.0685361208 -0.0117850024 0.2913880372 0.0163916666 0.0636597528 0.0253367241 -0.0037607274 -0.0217852431 0.0810829153 -0.1630362370 0.2898209817 -0.1521152470 0.2094713906 -0.0241461706 -0.8212708574 0.0034608482 0.0007338889 -0.0121745504 0.0169181582 -0.0261165364 0.0169060796 -0.0557014280 0.0124085655 0.1338191328 -0.0014563089 0.0075933021 -0.0019934474 -0.0088485693 -0.0313453961 -0.0191461115 0.0245106630 -0.0558428859 0.0402857432 -0.0050934669 -0.0059536693 0.0036655927 -0.0311842110 0.0629947518 -0.0492336174 -0.0011977955 -0.0034249126 -0.0005568312 0.0880619771 0.0095628701 0.0076193037 0.0000884996 -0.0001138701 0.0000647077 0.0001651225 -0.0001953466 -0.0000140144 -0.0007704603 0.0024715887 -0.0060261625 0.0000112874 0.0000372479 0.0000131671 -0.0000677267 -0.0000633688 -0.0000338029 -0.0000924259 -0.0000425209 0.0009422242 -0.0002692745 0.0008427608 -0.0002963518 0.0011815789 -0.0000783943 -0.0002533565 -0.0000923237 0.0001464479 0.0002293183 0.0004654436 0.0000083679 -0.0032511111 0.0006166473 -0.0017084968 0.0007010883 0.0001247864 -0.0003508591 0.0000908363 0.0003321116 0.0007240950 0.0005460486 -0.0014002510 0.0034693341 -0.0013889620 0.0001505334 -0.0001836357 -0.0001845245 -0.0000260999 0.0000148921 0.0000072216 -0.0013638705 0.0023853128 0.0014623988 0.0000512203 -0.0000469886 0.0001336215 0.0002698798 -0.0008158665 -0.0003616871 -0.0008243761 -0.0001105959 0.0002914613 -0.0000278056 0.0014969540 -0.0014626163 0.0000457279 -0.0000008018 -0.0002078909 -0.0006142497 0.0016332905 0.0008886566 0.0001116798 -0.0016112160 0.0014318296 -0.0002006994 -0.0002155850 -0.0001385211 -0.0000069549 0.0015667421 -0.0014021475 0.0024772299 0.0007620364 0.0032543447 -0.0001259869 0.0000608785 0.0005357865 0.0004658072 -0.0003002757 -0.0037325174 -0.0081219557 -0.0011632172 0.0414125782 0.0038218882 0.0093513569 0.0028938844 -0.0015500167 -0.0010868843 0.0070076917 -0.0065782418 0.0126828673 -0.0050209967 0.0213650025 -0.0017467705 -0.0810089803 -0.0376773654 0.0489466367 0.0132099891 0.2431225600 -0.5413283900 0.3599205840 0.2044002753 -0.0407324835 -0.5117215930 0.0024211459 -0.0414168408 -0.0004169265 0.0809179284 0.2805853547 0.1630196836 -0.1008035287 0.2150281518 -0.1611052021 -0.0011484667 0.0050897064 0.0002001287 0.0104649181 -0.0226565677 0.0196370388 -0.0086050979 -0.0439609849 -0.0236587241 0.0118048619 0.0026048977 0.0021739418 -0.0002132787 -0.0000099107 -0.0002666657 -0.0001405301 -0.0002747504 -0.0001086215 -0.0000056096 0.0002141810 -0.0003710546 0.0000291007 0.0000130538 -0.0000437059 0.0000220751 0.0001174189 0.0000524588 0.0001542070 0.0000810063 -0.0012970607 0.0004844765 -0.0014813194 0.0005294653 -0.0008518923 0.0000505741 0.0001860317 0.0001242388 -0.0001911408 -0.0002310246 -0.0005822083 -0.0000108649 0.0036431953 -0.0007286749 0.0021430555 -0.0009182566 -0.0004159804 -0.0000097250 -0.0004191674 0.0029819698 0.0046595778 0.0032390042 0.0017173728 -0.0046107562 0.0016358727 0.0000543430 0.0001326690 0.0001236096 -0.0000567085 0.0000260613 -0.0000433468 0.0008257886 -0.0017396592 -0.0008273383 0.0000843461 -0.0000345558 -0.0000638090 -0.0001744931 0.0005930900 0.0003207134 -0.0007790512 -0.0000778363 0.0003174404 -0.0000082121 -0.0001044526 0.0001016254 0.0000126768 0.0000834793 -0.0000984633 -0.0001345978 0.0003113028 0.0001774398 0.0000140813 -0.0012581305 0.0011577457 0.0001048459 -0.0003544454 0.0004715996 0.0001716740 0.0046012035 -0.0039497906 -0.0015983631 -0.0004942692 -0.0019146013 0.0000763494 -0.0001854915 -0.0004584433 0.0000738088 -0.0000410268 0.0007467668 0.0008674036 -0.0001518190 -0.0081875533 -0.0016715445 -0.0020993876 -0.0002325884 0.0007330277 -0.0009519505 0.0026065324 -0.0100260889 0.0222361680 -0.0102806945 0.0053942829 -0.0003969523 -0.0188338450 0.0205602558 -0.0222379411 -0.0167701838 -0.1001962697 0.2209729741 -0.1486677668 -0.1405576767 0.0314320553 0.3460539696 -0.0016493016 -0.0802834792 -0.0066288801 0.1829704579 0.5978764733 0.3451680335 -0.1711417473 0.3616435414 -0.2692241656 -0.0022141089 0.0143492955 0.0025298853 0.0281526951 -0.0520857417 0.0405223880 -0.0251962130 -0.1258938979 -0.0680362233 0.0208672468 0.0064742531 0.0008600013 0.0001452729 0.0000291023 0.0002303114 -0.0000274765 0.0002054639 0.0000023856 -0.0001158943 0.0000061490 0.0008884313 -0.0000212158 0.0000514266 0.0000174088 -0.0001008891 0.0000489792 0.0000005258 -0.0000168233 0.0000033064 0.0000425604 0.0001756594 -0.0004979532 0.0001865888 0.0009978316 -0.0000909359 -0.0002354016 -0.0000156241 0.0000404219 -0.0000295628 -0.0000143152 -0.0000132150 0.0001992710 0.0001120855 -0.0004081536 0.0001547179 0.0002531120 0.0002154810 0.0002703564 -0.0025096056 -0.0038765754 -0.0027211144 -0.0003972348 0.0012521095 -0.0004039110 0.0000516562 -0.0001026667 -0.0000495259 -0.0000067294 0.0000104070 -0.0000034505 -0.0006877623 0.0012693163 0.0006820079 -0.0002659269 -0.0003537399 0.0003070612 -0.0002848756 0.0008845085 0.0004931125 0.0034975226 0.0003613033 -0.0013524742 -0.0000853949 0.0029405151 -0.0028708890 0.0000049852 0.0000016780 -0.0000205084 -0.0001046999 0.0002108199 0.0001475884 -0.0000125556 -0.0003151407 0.0003114822 0.0002653149 -0.0002376368 0.0005272674 0.0001444898 0.0039515165 -0.0031009898 -0.0029702300 -0.0009498805 -0.0037945561 -0.0004025062 -0.0007195054 -0.0011534326 0.0126259269 -0.0129821024 -0.0814762777 -0.2122468265 -0.0334263143 0.8884406484 0.0584246700 0.2023602076 0.0863814515 0.0009475027 0.0060710834 -0.0263754519 0.0522793844 -0.0867776770 0.0474596471 -0.0693555127 0.0058702791 0.2621527086 0.0006044321 -0.0049734848 0.0084085219 -0.0318892076 0.0657742815 -0.0428585622 0.0256808857 -0.0028862646 -0.0552106047 0.0004144637 -0.0014667670 0.0007566920 0.0014541574 0.0041545889 0.0024938667 -0.0059319026 0.0129311251 -0.0092888568 0.0014603859 0.0027215090 -0.0001709358 0.0076153624 -0.0147729148 0.0115052065 -0.0026331107 -0.0150219408 -0.0085373139 -0.0215683745 -0.0019794143 -0.0015640101 0.0002211467 -0.0002744975 0.0006653428 -0.0000084072 -0.0005140602 0.0032052306 0.0060459048 0.0043885700 -0.0390528587 -0.0000066150 0.0001723094 0.0000765393 0.0001127253 -0.0002337008 0.0001445717 0.0001414808 -0.0000080004 -0.0006037720 -0.0010246677 0.0030326814 -0.0011075791 0.0001775882 0.0000702575 0.0000588280 0.0000855314 0.0000121107 -0.0004598402 -0.0010855022 0.0001365998 0.0060741004 0.0005299514 -0.0008249633 0.0001902491 -0.0020544006 -0.0050373757 -0.0023498305 0.0303780764 0.0471111620 0.0342837044 -0.0064359289 0.0138479291 -0.0058917169 0.0005516954 -0.0003130215 -0.0005024955 -0.0001013072 0.0000136166 0.0000730173 -0.0033020723 0.0049626082 0.0029828643 -0.0030354405 -0.0021183654 0.0029438339 -0.0004804300 0.0004770557 0.0001544875 0.0372733113 0.0038090687 -0.0143515878 -0.0006419217 0.0216883356 -0.0212802831 0.0001065445 -0.0014245794 0.0008398150 -0.0014254257 0.0031986936 0.0021262047 0.0002921707 0.0137745059 -0.0122069787 -0.0028090375 0.0012291566 -0.0058666571 -0.0014281812 -0.0278219166 0.0241449090 0.0350207853 0.0123924661 0.0468952294 -0.0009713334 0.0003332553 0.0030183140 -0.0007461103 0.0007190320 0.0052504658 0.0143119134 0.0022310933 -0.0577509755 -0.0034932853 -0.0108840472 -0.0046231246 -0.0001627132 -0.0001001882 0.0012389791 -0.0011471354 0.0017538973 -0.0009450729 0.0036952844 -0.0001963563 -0.0137394510 0.0001662778 0.0005273506 -0.0015928186 0.0037379077 -0.0078946336 0.0050269334 -0.0060035523 0.0012510045 0.0137872309 -0.0001134552 -0.0000065202 -0.0002022669 0.0006062862 0.0017973036 0.0010333059 0.0007009903 -0.0015371329 0.0010589421 0.0001036769 -0.0001179605 0.0001850201 -0.0010604707 0.0021136648 -0.0016233820 -0.0001497174 -0.0007003635 -0.0003415041 -0.0000596606 -0.0000502548 -0.0000530456 0.0001543028 0.0001640502 -0.0010485869 -0.0004839107 -0.0008846430 -0.0007760399 0.0004537574 -0.0003535780 0.0028321501 0.0000731890 0.0000129894 -0.0002405795 0.0075463983 -0.0063684576 0.0029439716 0.0038537349 -0.0004348772 -0.0240313920 -0.0233530569 0.0746662531 -0.0267582103 -0.0641306610 0.0070839094 0.0162696479 -0.0028229990 0.0110263071 -0.0137650099 -0.0159423763 0.0026230608 0.1109359369 0.0496309445 -0.1402297803 0.0549237930 -0.0175056449 -0.0853903224 -0.0215332087 0.3898008848 0.5709194713 0.4247354953 -0.1851560478 0.4548737160 -0.1683033235 0.0030499684 -0.0023432150 -0.0031999634 0.0000118422 -0.0002691284 0.0005011740 -0.0282181709 0.0280287288 0.0179336817 0.0470972434 0.0522579847 -0.0488466543 0.0501307683 -0.1218709066 -0.0759443869 -0.6198241197 -0.0579063523 0.2374402534 0.0124976105 -0.4416759546 0.4238916278 0.0039348262 -0.0284916192 0.0113931635 -0.0442827937 0.1167315828 0.0684110491 -0.0009024113 0.2293094431 -0.2134878288 -0.0077013342 -0.0000751566 -0.0126874559 -0.0042019215 -0.0395076125 0.0341729447 0.0908004303 0.0328326103 0.1217558629 -0.0001442004 0.0002537821 -0.0002893259 0.0000833477 0.0000962709 -0.0003055276 -0.0008176450 -0.0001250158 0.0038961684 -0.0001630557 -0.0008613922 -0.0003450766 -0.0000474318 0.0000978779 -0.0001181265 0.0008490061 -0.0013274667 0.0007539560 -0.0002288040 0.0000499648 0.0007281705 -0.0000049750 -0.0000871665 0.0001812036 -0.0005760834 0.0011265440 -0.0007621738 0.0005520061 -0.0001314426 -0.0014283255 -0.0000191967 -0.0000955450 -0.0000361645 0.0003229216 0.0010035645 0.0005619344 -0.0000582850 0.0001252575 -0.0001096817 0.0001494463 0.0000234841 0.0000909698 -0.0003241589 0.0006825285 -0.0005388498 -0.0001402350 -0.0007803468 -0.0004138651 -0.0012964309 -0.0001671793 -0.0001244457 0.0001127943 0.0000348226 0.0001731196 -0.0000093686 -0.0001142663 0.0001436775 0.0000315114 0.0002445987 -0.0015260595 0.0000132898 -0.0001645510 0.0000601963 -0.0037099203 0.0026075122 -0.0005779015 -0.0009432665 0.0003169727 0.0052706612 0.0093183711 -0.0275126830 0.0102775846 0.0357181262 -0.0034816923 -0.0086477617 0.0003386733 -0.0012328116 0.0011730931 0.0011439627 0.0000326850 -0.0081445230 -0.0049533284 0.0140301370 -0.0057029126 -0.0005460435 -0.0034775114 -0.0007127498 0.0150388202 0.0215268158 0.0160782935 -0.0084053365 0.0200225809 -0.0070584854 -0.0000673295 0.0001887014 -0.0003471187 -0.0000119100 -0.0000951862 0.0002149862 0.0003241128 -0.0004908710 0.0004019507 -0.0051908846 -0.0029168712 0.0043847510 -0.0010519770 -0.0010698198 0.0004232536 0.0634247240 0.0058771091 -0.0243392835 -0.0008514359 0.0294414099 -0.0281781287 -0.0000380161 -0.0002489386 0.0003333590 0.0002962441 -0.0010282035 -0.0004220831 -0.0001550092 0.0041849966 -0.0035770914 -0.0031077503 0.0014664231 -0.0064624967 -0.0013610747 -0.0310412117 0.0271501957 0.0382891032 0.0140574561 0.0509083671 -0.0001525336 0.0001271984 0.0003250932 -0.0000622630 0.0000611027 0.0005435252 0.0014713930 0.0002268301 -0.0059126605 -0.0003153872 -0.0009996757 -0.0004302777 0.0000088334 -0.0000213310 0.0000446664 -0.0002015881 0.0002842721 -0.0001632531 0.0001512089 0.0000022888 -0.0004352817 0.0000379167 0.0001040850 -0.0003266301 0.0007548563 -0.0015181592 0.0009498442 -0.0012245287 0.0002635356 0.0029487141 -0.0000020362 0.0000571686 -0.0000044941 -0.0001203964 -0.0003867063 -0.0002035257 0.0001179183 -0.0002684236 0.0002136759 -0.0000837938 -0.0000316722 -0.0000622503 0.0001895645 -0.0004113919 0.0003237919 0.0001255823 0.0007011483 0.0003766322 0.0006654141 0.0000797001 0.0000677046 0.0000032637 0.0000438053 -0.0001190146 -0.0001129721 -0.0001935277 -0.0000735770 0.0001516806 0.0001018792 -0.0001374422 0.0000454264 -0.0001176280 -0.0000308176 -0.0674544737 0.0510579986 -0.0126340832 -0.0215291586 0.0050771915 0.1041848425 0.1847713230 -0.5558240083 0.2035293767 0.6406356059 -0.0598784413 -0.1564534839 0.0056005999 -0.0216256668 0.0220622608 0.0252282025 -0.0027409706 -0.1601964525 -0.0990688317 0.2676355565 -0.1050246794 -0.0015411217 -0.0152358016 -0.0025925689 0.0594165535 0.0862636472 0.0647322803 -0.0350695045 0.0916467879 -0.0327116753 0.0006599746 -0.0002175644 -0.0004217607 -0.0001074424 0.0000250632 0.0001151958 -0.0032018152 0.0026595203 0.0020134555 0.0138999792 0.0103923806 -0.0147621058 0.0003411508 0.0048545087 -0.0012786015 -0.1728179027 -0.0165087994 0.0654162098 0.0021394966 -0.1130916061 0.1082782621 -0.0026247784 0.0190186115 -0.0064910904 0.0323473341 -0.0871121037 -0.0510293522 0.0033652241 -0.1450332431 0.1365458599 0.0391628822 -0.0136838296 0.0772835722 0.0158413465 0.3399174662 -0.2977359593 -0.4768257810 -0.1753492213 -0.6348707871 -0.0002574417 -0.0001745857 0.0023851356 -0.0001202699 0.0000938055 0.0008821777 0.0023108912 0.0004742459 -0.0095944373 -0.0005337529 -0.0014230848 -0.0008589046 -0.0000086297 -0.0000173766 0.0001721854 -0.0003371102 0.0003152350 -0.0002275277 0.0005073020 -0.0000882685 -0.0018368965 -0.0001735927 0.0004452383 -0.0003718778 0.0024500742 -0.0053180448 0.0036882919 -0.0004808426 0.0002381761 0.0008319286 -0.0000013609 0.0003570121 0.0000074612 -0.0008543414 -0.0025321991 -0.0014687939 0.0008708446 -0.0017535799 0.0012844843 -0.0000412475 -0.0002238386 -0.0000017992 -0.0005718317 0.0011003316 -0.0008352462 0.0002941577 0.0014771346 0.0008078105 0.0007904398 0.0000662705 0.0000647709 0.0000565749 -0.0006147534 -0.0009965264 -0.0000327323 -0.0001217917 -0.0006234517 0.0000784221 -0.0006447464 0.0038361618 -0.0002896660 0.0011148113 -0.0000519534 -0.0060329970 0.0044089040 -0.0009531912 -0.0017192574 0.0004366138 0.0080704458 0.0158602217 -0.0472567904 0.0174144632 0.0581607790 -0.0054070303 -0.0140867531 0.0000965106 -0.0005531860 0.0007236308 0.0009819137 0.0000535340 -0.0058160647 -0.0027840640 0.0064155638 -0.0026287389 -0.0017678333 -0.0083264216 -0.0022406810 0.0389566002 0.0570065752 0.0423242098 -0.0173373802 0.0429852534 -0.0157993790 0.0004893332 -0.0003391383 -0.0002230807 -0.0000754561 0.0000572158 -0.0000049704 -0.0032229663 0.0030746415 0.0019786799 0.0002877986 0.0001155685 -0.0002770267 -0.0002547580 0.0008889937 0.0003480720 -0.0032068525 -0.0003398064 0.0011904937 0.0000904041 -0.0018574881 0.0018198924 -0.0001171304 0.0011970162 -0.0006607878 0.0013482298 -0.0037374905 -0.0021673622 0.0001887216 -0.0105856208 0.0098758220 -0.0000601743 0.0000842411 -0.0001446486 -0.0001212957 -0.0011350536 0.0009259029 0.0006814016 0.0001852658 0.0009200023 0.0001061293 0.0001778758 0.0004961673 -0.0005565403 0.0007144554 0.0042127191 0.0132725575 0.0021874931 -0.0459571016 -0.0037566060 -0.0125527311 -0.0063706883 0.0002511584 -0.0047534997 0.0129197706 -0.0303869338 0.0592496431 -0.0308184611 0.0271387070 -0.0043235368 -0.1183987412 -0.0032006996 -0.0333211978 0.0742618621 -0.2069167667 0.4549209633 -0.2907544634 0.2445570376 -0.0605265836 -0.5924008939 0.0009422804 -0.0057185312 0.0016337603 0.0078988578 0.0249919096 0.0135651550 -0.0243739712 0.0436037000 -0.0313675340 -0.0373071759 0.0110276100 -0.0199398382 0.1086147369 -0.2283624090 0.1767072854 0.0031426150 0.0509493469 0.0243142217 0.3364480641 0.0472140030 0.0315336511 -0.0002482782 0.0000847773 -0.0002180255 0.0002702473 0.0001042252 -0.0006311095 -0.0010764438 -0.0006086997 0.0059094940 -0.0000170142 0.0000136679 -0.0000533887 -0.0005711213 0.0003517781 0.0001345739 0.0000944223 0.0001074096 -0.0017709737 0.0012447054 -0.0038247554 0.0013810526 0.0054928070 -0.0005048672 -0.0012891788 -0.0003424297 0.0010871648 -0.0008065757 -0.0006552540 0.0000876785 0.0045876497 0.0046176774 -0.0129356210 0.0050912163 -0.0001793962 -0.0008896354 -0.0002477322 0.0043057550 0.0060197712 0.0045044365 -0.0017900407 0.0048214569 -0.0017749066 -0.0000745801 -0.0000541230 -0.0000636025 0.0000458781 -0.0000250328 0.0000249298 -0.0002741586 0.0006428592 0.0002621417 0.0000922573 0.0000345035 -0.0001521907 -0.0003204002 0.0009028535 0.0003800457 -0.0007908435 -0.0000989896 0.0002818833 0.0000452274 -0.0011735261 0.0011724117 -0.0001143198 0.0009875831 -0.0004647571 0.0013842297 -0.0037647651 -0.0021534480 0.0000886579 -0.0080920224 0.0075933538 -0.0000492808 0.0001633965 -0.0001438415 -0.0000998979 -0.0017030212 0.0014273914 0.0004023088 0.0001195113 0.0004954271 0.0000305414 0.0001523750 0.0002834812 -0.0003549211 0.0003154324 0.0023007877 0.0077263997 0.0012049719 -0.0260128360 -0.0016758624 -0.0058689831 -0.0029411201 0.0000895777 -0.0031843477 0.0084534579 -0.0201404616 0.0398142439 -0.0206563224 0.0180107546 -0.0034600446 -0.0780109842 -0.0018570977 -0.0171369635 0.0376641150 -0.1092347949 0.2339967137 -0.1488899574 0.1241539652 -0.0295162916 -0.3004471233 0.0044071042 -0.0084960593 0.0067275243 0.0000168798 0.0007940817 -0.0006285983 -0.0463243320 0.0982963552 -0.0726022299 0.0716377280 -0.0147143537 0.0380545181 -0.1909792179 0.4138185656 -0.3233763966 -0.0158240873 -0.1488046075 -0.0740097215 -0.6457999864 -0.0880688141 -0.0616928229 -0.0001134440 0.0000314030 -0.0001365431 0.0002114451 0.0000884133 -0.0005348954 -0.0009028645 -0.0006518164 0.0052601013 0.0000120294 -0.0000224376 -0.0000325995 -0.0005161632 0.0003168860 0.0000093819 -0.0000684524 0.0000450130 -0.0002153445 0.0011064121 -0.0034449110 0.0012401491 0.0051343548 -0.0004656062 -0.0012045751 -0.0002832758 0.0008467650 -0.0005416127 -0.0003305572 0.0000625172 0.0025513505 0.0035822228 -0.0100132462 0.0039723937 -0.0000072393 -0.0002076460 -0.0000412641 0.0008678984 0.0011378816 0.0009115836 -0.0004684299 0.0014567410 -0.0005526282 -0.0001502512 -0.0000102489 -0.0000561019 0.0000711048 -0.0000362983 0.0000391414 0.0001028462 0.0002366438 -0.0000013657 0.0231346102 -0.0023392876 -0.0199655097 -0.0409304115 0.1413652195 0.0673729009 -0.2373437556 -0.0253222645 0.0904118230 0.0060801254 -0.0875503104 0.0874214409 -0.0052425269 0.0593447659 -0.0354087169 0.0610928598 -0.1658688492 -0.0947134438 0.0057645555 -0.5439539996 0.5076536577 -0.0093096448 0.0094874822 -0.0225375050 -0.0089769309 -0.1440922442 0.1260690972 0.1123500184 0.0398784988 0.1451639531 0.0001578007 0.0001483512 -0.0010959384 0.0001044620 0.0000070116 -0.0004937707 -0.0013790054 -0.0002447223 0.0058606561 0.0000906671 0.0002094205 0.0000881382 0.0000418802 0.0001203815 -0.0005569976 0.0008410198 -0.0016648764 0.0008271987 -0.0014041614 0.0001777356 0.0056966579 0.0001275743 0.0009066847 -0.0021317149 0.0057495623 -0.0124076364 0.0078804958 -0.0071305532 0.0017301366 0.0174942736 -0.0000672488 0.0002762478 -0.0001044249 -0.0003494267 -0.0010286846 -0.0005476259 0.0011423457 -0.0022766631 0.0016843771 -0.0004033522 -0.0002248009 -0.0002747838 0.0005700548 -0.0014192730 0.0011170000 0.0006348383 0.0036459606 0.0019478799 0.0034763688 0.0004189345 0.0003642759 -0.0003555183 0.0001988016 0.0004114542 -0.0000716998 -0.0000614655 0.0004716519 0.0001135808 0.0007268909 -0.0039859469 0.0002557967 -0.0006137119 0.0001751759 -0.0158324961 0.0079490608 0.0080952644 0.0073673017 0.0044898147 -0.0941240525 0.0268275660 -0.0864587470 0.0314080564 0.1541250619 -0.0149587708 -0.0352987516 -0.0090837688 0.0291313095 -0.0216741189 -0.0196224403 0.0017479646 0.1277330511 0.1258443371 -0.3474538715 0.1357862856 -0.0002732224 0.0055237145 -0.0001321324 -0.0152350794 -0.0208460116 -0.0146282893 0.0191285205 -0.0439201650 0.0152166897 -0.0000781225 0.0000795760 -0.0000846869 0.0001809452 -0.0001450846 -0.0000812909 -0.0001319220 0.0000570245 -0.0001338050 0.0085660635 0.0040204259 -0.0092071349 -0.0082294536 0.0278612344 0.0117190855 -0.0962255470 -0.0104928215 0.0362817465 0.0032480035 -0.0667063336 0.0661505137 -0.0031325744 0.0334365268 -0.0191540542 0.0361203890 -0.0997485411 -0.0569869014 0.0038642920 -0.3001477023 0.2807944847 -0.0044722002 0.0051118939 -0.0114589455 -0.0050870725 -0.0759807643 0.0665611482 0.0551127105 0.0194472433 0.0713066605 0.0001115147 -0.0000915916 -0.0002094023 -0.0000998011 -0.0002072782 0.0003136050 0.0010223780 0.0000393520 -0.0045208465 0.0004799841 0.0020716802 0.0010008862 0.0000217114 -0.0000925408 0.0002018843 -0.0007800813 0.0012984738 -0.0006877855 0.0004919377 -0.0000498070 -0.0018114903 0.0000329637 -0.0003515390 0.0005760111 -0.0020338090 0.0045890026 -0.0029692797 0.0016635202 -0.0004625013 -0.0039153180 0.0000266209 -0.0001067268 0.0000419448 0.0001409928 0.0004005343 0.0002204424 -0.0004829132 0.0009128035 -0.0006663570 0.0001517415 0.0000097130 0.0000785337 -0.0002851265 0.0006802058 -0.0005440885 -0.0000907647 -0.0006072751 -0.0003007005 -0.0014186826 -0.0001847546 -0.0001324602 -0.0002151255 0.0001679483 0.0000851536 -0.0000627022 0.0000013534 -0.0000382306 0.0000199230 0.0000845328 0.0006043867 0.0000521178 -0.0002173599 0.0000370023 0.0289778867 -0.0143026153 -0.0163618070 -0.0152318087 -0.0087982833 0.1901338170 -0.0481680951 0.1566402694 -0.0567381305 -0.2814454756 0.0273732065 0.0642819213 0.0169698205 -0.0545092904 0.0405644987 0.0367248289 -0.0034669627 -0.2384610471 -0.2360293375 0.6489989778 -0.2547554154 0.0003171775 -0.0126797484 -0.0000613701 0.0369019664 0.0524114399 0.0375868456 -0.0423226365 0.0986686451 -0.0345097296 0.0011405421 -0.0010015453 0.0000456463 -0.0004696523 0.0002849402 -0.0000359421 -0.0059811723 0.0067877485 0.0036484743 0.0010210558 -0.0017856172 -0.0005269130 -0.0050210497 0.0167643173 0.0085873157 -0.0072148548 -0.0008258398 0.0028701292 -0.0000207378 0.0053496252 -0.0052213868 0.0001010230 -0.0006532206 0.0001922629 -0.0011178352 0.0034540395 0.0020399360 -0.0000466926 0.0044836456 -0.0041906448 -0.0000577452 -0.0001566020 0.0000235498 0.0000550597 0.0013825784 -0.0011879935 0.0005528120 0.0002261192 0.0008189628 0.0000106590 -0.0000853399 -0.0000743913 0.0001627917 -0.0001242982 -0.0007871599 -0.0026757682 -0.0003944526 0.0089891748 0.0008989117 0.0025164433 0.0010951283 0.0006046755 0.0003121582 -0.0041609940 0.0035165728 -0.0042950821 0.0020857533 -0.0137263436 0.0007935485 0.0485284703 0.0007681179 -0.0018781783 0.0015402945 -0.0121939078 0.0224338141 -0.0145054010 0.0025513566 0.0000631763 -0.0059044316 -0.0001713288 -0.0162811875 -0.0008857102 0.0326759942 0.1146405049 0.0672775871 -0.0323680933 0.0746729664 -0.0552468758 -0.0137880393 -0.0898098802 -0.0126225500 -0.1684507351 0.3300278174 -0.2714877131 0.1309261591 0.7256298307 0.4007516883 0.2068303068 0.0168168924 0.0196616807 0.0000065686 0.0000198756 0.0000504373 -0.0000297202 0.0000401906 0.0000255657 0.0001193676 -0.0000854000 0.0000554561 -0.0000049558 0.0000413436 -0.0000042350 0.0001096226 -0.0000518012 -0.0000510783 -0.0000463922 -0.0000382047 0.0005873945 -0.0001705609 0.0005673245 -0.0002127490 -0.0011017566 0.0001081552 0.0002514108 0.0000614888 -0.0001803739 0.0000989920 0.0000504860 -0.0000130230 -0.0003495512 -0.0007750956 0.0021584156 -0.0008483350 -0.0000086859 -0.0001186385 -0.0000096403 0.0004116912 0.0005725637 0.0004166023 -0.0003377177 0.0008654723 -0.0003225756 0.0001031610 -0.0000791636 0.0000099048 -0.0000293555 0.0000201954 -0.0000316698 -0.0005611965 0.0007278474 0.0003595911 -0.0454589377 0.0756557380 0.0251777530 0.2191482110 -0.7305468385 -0.3730408609 0.3280127007 0.0374011075 -0.1296138614 -0.0000822270 -0.2088329194 0.2036938708 -0.0031722064 0.0195731532 -0.0047804984 0.0330316069 -0.1094004075 -0.0653353306 0.0026735984 -0.1270772021 0.1177993621 -0.0001641864 0.0019082680 -0.0025151970 -0.0024344792 -0.0230160321 0.0205270197 0.0063779069 0.0024853159 0.0098004102 0.0004853221 -0.0009602313 -0.0004312577 0.0000140317 0.0000411553 -0.0001666402 -0.0004558099 -0.0001629698 0.0020581770 -0.0000791952 -0.0003055732 -0.0000198786 -0.0000042546 0.0000669892 -0.0001877348 0.0005521155 -0.0008434103 0.0004817402 -0.0005050114 0.0000649335 0.0018358732 0.0000496353 0.0000622404 -0.0002537684 0.0003831876 -0.0010858953 0.0005903792 -0.0009040263 0.0002153855 0.0023314493 -0.0000275000 -0.0004136821 -0.0000549773 0.0009666326 0.0032508081 0.0019003716 -0.0006526063 0.0015895598 -0.0011758353 -0.0004054657 -0.0021005576 -0.0003357040 -0.0037745718 0.0073233205 -0.0060518213 0.0030837768 0.0172515600 0.0095264637 0.0056295875 0.0004978631 0.0005405992 -0.0001673031 0.0001987335 0.0002529574 0.0002544281 0.0005726828 0.0001005344 -0.0007063050 -0.0006460022 0.0019155889 -0.0003361031 0.0002068875 -0.0001293294 -0.0027781210 -0.0013198305 0.0078161628 0.0075058111 0.0024219964 -0.0812270550 -0.0064035729 0.0175024965 -0.0055438509 0.0321649192 -0.0035722718 -0.0067714454 -0.0010077327 0.0030597361 -0.0015530840 -0.0011496971 0.0000424360 0.0050766230 0.0129185698 -0.0374848368 0.0144828284 0.0001878422 0.0010481629 0.0002488175 -0.0041088112 -0.0064152169 -0.0040561578 0.0025884536 -0.0066925637 0.0029549272 -0.0018322141 0.0012504198 -0.0009304575 0.0004244212 -0.0002401338 0.0009319603 0.0087669488 -0.0087497939 -0.0029776697 0.0034192033 -0.0059124950 -0.0021246756 -0.0177170301 0.0588409869 0.0299007503 -0.0238023767 -0.0027882788 0.0094557724 0.0000454860 0.0142695526 -0.0139903275 0.0001670331 -0.0009851890 0.0002253545 -0.0015471618 0.0055604084 0.0034263657 -0.0001323966 0.0063265086 -0.0056254510 0.0000529467 -0.0000209265 0.0001734369 0.0001259343 0.0007197492 -0.0006939877 -0.0009130242 -0.0004026954 -0.0013425466 -0.0000708591 0.0001564109 0.0001832407 -0.0000268975 -0.0000624774 0.0001603587 0.0004284052 0.0000420384 -0.0020139717 0.0001121013 0.0005261838 0.0002358136 0.0000281576 -0.0000685316 0.0000860834 -0.0005708543 0.0008977928 -0.0004910780 0.0001827862 -0.0000339313 -0.0006144971 -0.0000062841 -0.0000959967 0.0001931492 -0.0005508823 0.0013381313 -0.0008367552 0.0006307935 -0.0001684910 -0.0014377931 0.0000249684 0.0000107157 0.0000377153 -0.0001340353 -0.0004177491 -0.0002361348 -0.0001779428 0.0003073616 -0.0002099463 0.0001198271 0.0001389141 0.0000649966 0.0000875016 -0.0000863849 0.0000867914 -0.0002264107 -0.0014243776 -0.0007682388 -0.0012988480 -0.0001610186 -0.0001215832 0.0000085107 -0.0000243572 -0.0001055355 -0.0000881512 -0.0001250630 -0.0001606878 0.0001342518 0.0000234507 0.0010178233 0.0000279398 -0.0000376932 0.0000020235 -0.0206318594 -0.0209018414 0.0843669476 0.0779305537 0.0211766728 -0.8657952784 -0.0932425932 0.2640643866 -0.0875811532 0.2658581431 -0.0303499735 -0.0558677436 0.0035209099 -0.0156299716 0.0190967586 0.0206687065 -0.0028202657 -0.1515887296 -0.0660338031 0.1860696345 -0.0724848677 0.0005297537 -0.0026214489 0.0001241761 0.0056735491 0.0087202565 0.0056383429 -0.0108607388 0.0234126748 -0.0079092443 0.0008104542 -0.0004590606 0.0003474491 -0.0005613162 0.0000134668 -0.0001655554 -0.0016626543 0.0017123288 0.0004019395 -0.0001478315 0.0001018477 0.0001424199 0.0005378196 -0.0019184523 -0.0007161504 0.0013149507 0.0000933309 -0.0005357790 -0.0000599586 0.0005244319 -0.0004256302 -0.0000022205 -0.0000895985 0.0000859329 0.0002029618 -0.0002353576 -0.0002119887 -0.0000097250 0.0009994689 -0.0009677393 0.0001890531 0.0002733941 0.0002181591 -0.0002555778 0.0007399148 -0.0002111550 -0.0027162068 -0.0013660514 -0.0040743740 0.0008755793 -0.0044691092 -0.0003233117 -0.0018597395 0.0023803510 0.0029860642 0.0072312906 0.0019240027 -0.0353889297 -0.0016734886 -0.0177233240 -0.0058266082 -0.0003200992 -0.0000121009 0.0006684517 0.0018423852 -0.0005142143 -0.0000356151 0.0045626495 -0.0005736236 -0.0079819914 0.0000097647 -0.0001900999 0.0003622991 -0.0008781135 0.0023010930 -0.0008594424 0.0009686200 -0.0005265005 -0.0035921083 0.0000039163 -0.0000942211 0.0000063028 0.0003378144 0.0007509860 0.0003855206 -0.0003685782 0.0006422727 -0.0005458358 0.0001048675 -0.0001002178 0.0001253502 -0.0006479441 0.0016304365 -0.0012111749 -0.0000286848 -0.0003786646 -0.0000914788 -0.0004392221 -0.0000340700 -0.0001664894 0.0000511017 0.0001712573 -0.0007109091 -0.0049381158 -0.0078699483 0.0851154808 0.0584368941 0.1231858348 -0.9859872390 -0.0001274403 0.0003694952 -0.0000470384 0.0000577444 -0.0000340046 0.0000703681 0.0001204467 0.0000676408 -0.0008663019 -0.0000845073 0.0004092162 -0.0001139731 -0.0008449331 0.0000296035 0.0001625262 0.0000518804 -0.0001403769 0.0000328717 0.0000746204 -0.0000157644 -0.0002792633 -0.0006515699 0.0014577814 -0.0005892818 0.0001337187 -0.0002313220 -0.0000001337 0.0011207512 -0.0000381967 -0.0006631255 -0.0008809156 0.0021646703 -0.0004782223 0.0006329178 0.0003165850 0.0006665961 -0.0003474834 0.0002913449 -0.0004729057 0.0015320644 -0.0058431093 -0.0026757987</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">-126.89224063 25.02405047 32.62731968 40.35856708 55.78148021 59.43343934 73.42671133 89.66452288 101.53883026 122.57663828 134.19237017 151.51160583 162.39996030 174.06983579 192.60397438 205.31374113 238.19270591 249.94551753 277.10474782 285.54471145 296.60578376 303.02290023 313.63969749 381.08658335 385.15812671 409.27722079 443.02490806 475.69940043 526.11863070 543.52420636 629.91435736 685.79579101 749.26995052 759.92740903 774.32489192 784.71842237 799.15595736 809.14994100 828.68628449 872.91242273 882.88028769 890.02886552 896.57432419 922.90856846 935.22451451 959.45792289 966.27794009 992.78963906 1009.44532422 1028.80913810 1044.16725300 1075.56104784 1095.86748299 1114.16463428 1117.99961432 1129.10794123 1138.49316548 1141.72923905 1158.62488859 1182.92952273 1196.13617252 1208.40253459 1235.36048181 1261.73870396 1273.33647572 1303.75476586 1315.05546422 1316.39648996 1328.47477445 1329.56136040 1351.16072930 1371.26946439 1378.59851849 1386.62228975 1387.54763377 1388.61670204 1406.77559033 1420.69798878 1422.17162523 1427.59446263 1430.70320011 1438.09247473 1460.37600586 1466.82129818 1474.80122931 1477.00234418 1479.71377601 1486.00458907 1487.02116464 1487.62333806 1493.26773646 1494.94828729 1496.28387787 1502.14115736 1506.82430058 1509.96561169 1527.92063050 1705.83508765 1746.83005497 2891.62923726 2956.76432208 2982.79662781 2999.64902851 3009.55873546 3011.04536929 3011.24567666 3017.90836482 3021.45975695 3028.18387613 3030.90428006 3039.47515569 3045.12517732 3061.67756591 3067.87230776 3077.92833768 3080.47640677 3086.45760810 3087.30269863 3102.04871694 3105.03956182 3106.27130722 3107.01912020 3121.76297330 3122.82334024 3129.46001125 3176.49384035</array>
                     <array dataType="xsd:double" dictRef="cc:redmass" size="126">6.61970711 3.40977132 3.29361971 3.22120483 3.14978956 2.92850194 2.86130509 4.95496145 2.71874254 2.72960166 2.67765876 2.96188578 2.65202784 3.29165701 2.32141919 2.32369813 1.89474129 2.53947323 3.38182700 1.31536206 1.40878568 1.61338541 2.03670311 2.79148835 2.72836854 2.46262622 2.36501823 2.61985897 2.56531218 2.20081444 2.63415676 3.13268168 1.33858273 1.29799437 1.25360561 2.28825447 2.02721132 1.42229779 1.73021530 2.32353772 1.48227374 2.51539215 2.35352606 1.73236729 1.40356802 1.79976480 1.79368937 1.31135072 1.72283600 1.74662266 1.69896720 1.52827422 2.06243974 2.04496601 1.98135082 2.05244624 1.88110362 1.90044544 2.00812183 2.00859003 1.87796119 3.25028231 1.45435341 1.35942418 1.26915067 1.23289013 1.18205186 1.17184617 1.20125049 1.19650431 1.24402333 1.37519511 1.25802934 1.36991140 1.42795285 1.40761456 1.26535160 1.43238209 1.36051659 1.38373402 1.50748716 1.30781085 1.09057946 1.13238730 1.09778625 1.10624875 1.08638459 1.08104349 1.10541173 1.08910016 1.07290864 1.06576332 1.05984304 1.06834176 1.04791427 2.17180345 1.09220387 8.14579353 9.93106344 1.08732985 1.06985412 1.06718953 1.04029664 1.06709269 1.05900850 1.04223513 1.06508782 1.04106829 1.06315834 1.06790267 1.09643354 1.07165342 1.09485667 1.09420360 1.10266380 1.10180764 1.10294536 1.10422992 1.10452483 1.10389270 1.09847665 1.09826539 1.10358011 1.10619666 1.10304861 1.08887494</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="16632">0.0188532137 -0.0321214665 -0.0102155304 0.0284075356 -0.0554895953 0.0301561952 0.0212031664 -0.0169717612 -0.0009415423 0.0180779428 -0.0552551767 -0.0341198165 0.0179930826 0.0063893660 -0.0210379244 0.0279420129 0.0231914189 -0.0451414894 0.0135514344 0.0295540679 0.0044460609 0.0131623196 -0.0056259064 -0.0330523724 0.0153767033 -0.0460827875 -0.0760729203 0.0308403909 0.0252014780 -0.0560467803 -0.0643892479 -0.0224847494 0.0216067887 -0.1219714808 -0.0599764934 0.0444483685 -0.0456813205 -0.0528930599 0.0623054672 -0.0772614318 -0.0882837954 0.0916473580 -0.1380048194 0.0438551028 -0.0618008460 -0.0766903564 0.0448231698 -0.1260500056 -0.2050503568 0.0865012224 -0.0798552997 -0.1121692990 0.0297888331 -0.0456201085 -0.0826517707 0.0562758128 -0.0286765042 -0.1036854844 0.0217639077 -0.0424646153 -0.1064778724 -0.0069806012 -0.0305950932 -0.0930758662 -0.0191488543 -0.0171081485 -0.1414114902 -0.0218089846 -0.0292677502 -0.0784261959 -0.0156344625 -0.0158676121 -0.0345767757 0.0049944782 -0.0166973829 -0.0994261536 -0.0049836023 -0.0288776451 -0.0761119428 -0.0540310769 0.0109362433 0.0797270709 0.0375665467 -0.0054969127 -0.3266840668 -0.1886434907 0.0466606471 -0.1882949625 -0.1328188581 0.0610608033 0.0056709993 -0.0488008134 0.0049907161 0.1223988119 -0.0214885149 -0.1278587678 0.2228023103 0.0042842663 -0.1179922333 0.0994852303 -0.0247890850 -0.1134185200 0.1003935310 -0.0307680856 -0.2139874989 0.0607629618 -0.0228107582 -0.0492878906 -0.0415742098 -0.0356607175 -0.0617377757 0.0786754999 -0.0275580330 -0.0780542603 0.0927391551 0.0254199718 0.0923177990 -0.0227801836 -0.0084287934 0.2278254917 0.0650839037 0.0081697430 0.0820912860 0.2804092568 0.1449129877 0.1050667831 0.2086135096 0.1351614834 0.0957691912 -0.0299406629 -0.1034836788 0.0990360090 0.0233410685 -0.0568080412 -0.0757262206 0.0478095471 -0.0442307599 -0.0864142056 0.0030041352 -0.0671942753 -0.1322471413 0.0645957050 -0.0338347479 -0.0531597231 -0.0337140904 -0.0907271255 -0.0154011898 -0.0645100196 -0.1121460104 0.0032994708 -0.0650038315 -0.1184244775 -0.0437369317 -0.0129696983 -0.0665081081 0.0592850814 0.0166081121 -0.0447811175 0.0863243616 -0.0522217137 -0.0929269536 0.0953578189 0.0074721065 -0.0564854913 0.0411539170 0.0323708597 -0.0404978201 0.0124510133 0.0433836364 -0.0598152255 0.0144522579 0.0526337520 -0.0415565415 0.0028672467 0.0272305741 0.0016413460 -0.0034328628 0.0572614320 0.0104330731 -0.0187480816 0.0137516566 0.0200448032 -0.0073674134 0.0010376025 0.0100649406 0.0019613986 -0.0464907886 0.0056283501 0.0287463801 0.0285565352 -0.0224733315 0.0165279442 -0.0000409484 0.0659390584 -0.0455815130 -0.0182916719 0.0598088543 -0.0253935540 0.0532870076 0.0614502618 -0.0856788052 -0.0458692555 0.1382950003 -0.0697148079 -0.0999186711 0.1444516968 -0.0292107875 -0.0260404525 0.1495847946 -0.0962093964 -0.0481804487 0.1781323952 -0.1021834218 0.0046578119 -0.0717788304 0.0416843211 0.0014935750 -0.0528560116 0.0294860793 0.0052849651 -0.0361831833 0.0318533494 0.0192681003 -0.0459912937 0.0505681078 -0.1331864071 0.2628657768 -0.0312932959 -0.1081304849 0.2588114785 -0.0286411861 -0.2717419576 0.2164120074 -0.0304886958 -0.1240811944 0.4040366268 -0.0492312483 0.0029447281 0.1490553902 -0.0099509414 -0.0122584845 0.1611018106 -0.0121381456 0.1321498241 0.1963685539 -0.0066796656 -0.0062583448 -0.0425891077 0.0141654814 0.0817544946 -0.1273877570 0.0473703084 -0.1440467693 -0.1052044924 -0.0030569590 0.0495560090 -0.0522719762 0.0212580612 0.0682983280 -0.0651721937 -0.0116205575 0.0482088121 -0.0703355266 0.0535306812 0.0165887074 0.0229435697 0.0557436177 -0.0186706793 0.0137305398 0.0522883488 0.0344693852 0.0410940911 0.1076658455 -0.0108925499 0.0147404240 0.0478897568 0.0763245044 0.0216397576 0.0040637485 0.1182115598 0.0345953587 0.0068066904 0.0992299757 0.0314846990 0.0139603721 0.0565612453 -0.0101658509 -0.0684161168 0.0373176172 -0.0207771115 -0.0815874109 0.1027492553 -0.0091930543 -0.1027398970 0.0115239362 -0.0308262637 -0.0901976664 -0.0193606933 -0.0495245840 -0.1204244943 -0.0537484272 -0.1164402402 -0.1308457127 0.0160136882 -0.0304784359 -0.1847268420 -0.0175909159 -0.0093791433 -0.0560239332 -0.0181487743 -0.0503371564 -0.1304803868 0.0160040393 0.1071354222 -0.0508935324 -0.0582220367 -0.0682909721 0.0989594315 -0.0799946456 -0.0116548226 0.2020338964 -0.0645918439 -0.2026325767 0.1089128551 -0.0613759867 -0.0282608467 0.1177755622 -0.0953176735 -0.0997360593 0.2595204992 -0.0351847634 -0.1080045563 -0.0076280302 -0.0560025602 0.2048194709 0.1184545568 -0.0788121201 0.2936214111 0.2433700194 -0.0248087029 0.2825331138 -0.0314153247 -0.0607296730 0.2229210833 0.1444375031 0.0504184387 -0.0276896090 -0.0911500427 -0.0276687570 -0.0406621665 -0.0966306976 -0.0506551327 -0.0413816770 -0.0983395339 0.0049249920 -0.0283154556 -0.0794121675 0.0003321415 0.0351335347 0.0920469509 -0.0489576170 0.0541360312 0.0881506304 -0.0069804860 0.0206429030 0.0581089264 0.0141630346 0.0559350062 0.1436188083 0.0561251100 0.0035678379 0.0739055655 0.1073620150 -0.0128560069 0.0817314727 0.0612118002 0.0189070389 0.1083239392 0.0407758035 -0.0264874260 0.0024119358 0.0831056996 -0.0495371148 -0.0049855456 0.0329092689 -0.0434204410 -0.0349262099 -0.0220708472 -0.0033428332 -0.0109940846 -0.0529699881 0.0161434349 0.0324610051 -0.0645766299 -0.0143920044 -0.0533339164 0.0941610300 0.0725861948 -0.0434382745 0.0719163662 0.0487826243 -0.0086765908 0.0807442220 0.1193644325 -0.0657239013 0.1399618967 0.0480392987 -0.0692756901 0.0779579904 0.0758070514 -0.0302880049 0.0937831636 0.1017534692 -0.0663258105 0.0338626095 0.0977463932 -0.0061887772 0.0961627417 0.0162949404 -0.0024773204 0.1422121230 0.0077094268 -0.0108501822 0.0863039816 0.0023731042 0.0089455453 0.0184906830 -0.0205398783 0.0432045572 -0.0110864967 -0.0341944418 0.0896636701 -0.0177655024 -0.0038707383 0.0891129792 -0.0238563158 -0.0398853150 0.1102973832 -0.0082416296 -0.0540836486 0.0876535706 -0.0109169533 -0.0511944132 0.0954197389 -0.0154814356 -0.0668953588 0.0862642814 -0.0012002359 -0.0491405169 0.0693808403 -0.0879615164 -0.0538890743 0.1238302890 0.0832857901 -0.0898623941 0.1087416808 0.0009557267 0.0203974228 -0.0734582834 0.0062501520 -0.0076330160 -0.0276409740 0.1083695021 -0.0085440770 -0.1812279915 -0.1385972212 0.1733622371 -0.1465254888 -0.2528954328 0.2052915198 -0.0371095631 -0.1376152183 0.2091047853 -0.2109825192 -0.1366292812 0.2282518545 -0.2476721210 -0.0167322013 -0.0107282612 0.0432863863 0.0211267929 -0.0278284247 0.0613968833 0.0428608139 -0.0417693379 0.0610301289 0.0696019669 -0.0096896428 0.0206894270 0.0083165852 -0.1349940831 -0.0342457931 0.0370268473 -0.1689324012 -0.0328958982 0.0659057994 -0.0998865007 0.0098992861 -0.0059236304 -0.1996474891 -0.0699247743 -0.0857257401 -0.0564022144 -0.0482695525 -0.1197855485 -0.0283537648 -0.0537449536 -0.1364348916 -0.0921102602 -0.0940256040 -0.0704729594 0.0322141929 -0.0012370821 -0.1327047424 0.0914369322 -0.0234578251 -0.0128282354 0.0747011994 0.0500574596 -0.0471089467 -0.0076546933 0.0045889299 -0.0106579566 -0.0012121709 -0.0186700503 -0.0326935372 -0.0081429301 0.0294643517 0.0566647602 0.1340612200 -0.2575941912 0.0547121476 0.1307734371 -0.2490856057 -0.0077073268 0.1900953693 -0.4112663336 0.2280831385 0.1722661060 -0.2220452412 -0.0792892458 0.0085094309 -0.0996164341 -0.1194661239 -0.0284098638 -0.0591014817 -0.2044171854 -0.0597733627 -0.1687100867 -0.0108410780 0.0072044511 0.1071986265 0.1096833703 0.0742544421 0.1910940781 -0.1104091026 -0.1032008419 0.2110169312 -0.0146361153 0.0013748741 0.0375342325 -0.0138847246 0.0027989954 -0.0645261984 -0.0006540780 -0.0458564721 -0.0632277088 -0.0171405254 0.0209333548 -0.1043315611 -0.0165018378 0.0121724206 -0.0758672502 -0.0096905630 -0.0076170210 -0.1193520391 -0.0267349409 0.0602785435 -0.0799263808 -0.0143338361 -0.0142527808 -0.0234071143 0.0033054389 0.0095834826 0.0007144294 -0.0295130884 -0.0457188157 -0.0264153994 -0.0146669085 -0.0335587528 0.0051131164 -0.0123978143 -0.0520244715 0.0358979859 -0.0359637495 -0.0555571384 -0.0114273343 0.0085572380 -0.0051598782 0.0168110208 0.0323614188 0.0193238435 0.0329517100 0.0025796352 0.0123280434 -0.0129329114 0.0090657485 -0.0249915762 0.0397096574 -0.0416747039 -0.0568284945 0.0421649260 -0.0227382551 0.0288037391 -0.0087283186 -0.0203158658 0.0794373897 -0.0021922867 0.0321951937 0.0494596198 0.0730412122 0.0369358023 -0.0457724883 0.0866004961 0.0024661787 -0.0345221484 0.0836623690 0.0390938443 -0.0525305193 0.0653930889 0.0456510582 -0.0387197354 0.1216975165 0.0686538793 -0.0610804138 0.0713290347 0.1077783432 -0.0738153012 0.0771489117 0.0657732947 -0.0523267969 0.0941122221 0.0561806356 -0.0700182076 0.0127471391 0.0853882326 -0.1073456452 0.0358683736 0.0546888828 -0.0955165010 -0.0551369928 0.0041899858 0.0105490586 0.0078023350 -0.0393219552 0.0300572894 0.0642399578 0.0009372893 0.0387201402 -0.0540133571 -0.0871570468 -0.0708044856 -0.0484901162 -0.0496076179 -0.0434447235 -0.0801743159 -0.0884338278 -0.1193692116 -0.0649238159 -0.1031271975 -0.0386885019 -0.0154951678 -0.1115141185 -0.0855018896 -0.0225257984 -0.1518801887 -0.1210232231 0.0155670801 -0.0923739866 -0.1169033508 -0.0558034048 -0.1120593402 -0.0096471950 0.0073778433 -0.1404054896 0.0020169998 0.0197500699 -0.1402729492 0.0086932015 0.0225866455 0.0224288526 0.0519466308 0.0019247805 -0.0026855109 0.0288848355 -0.0031739288 0.0032812255 0.0317171187 -0.0013558354 -0.0402493272 0.0403112576 -0.0055582355 0.0003105527 -0.0326502182 -0.0147537328 -0.0340694904 -0.1006984401 -0.1041139436 -0.0223700929 0.0530858080 -0.0228991775 0.0763467555 -0.1226832648 0.0996899753 0.0625975611 -0.0443334151 0.2297662847 0.1442304494 -0.2325212142 0.1390168708 0.0840537829 -0.1758049035 0.0050263533 0.1492277978 -0.2753923266 0.1433231573 0.1062236354 -0.2921775821 -0.1678674869 -0.0176549623 0.0432174265 -0.0492638097 -0.0414438449 0.1700327634 0.1238641585 -0.0861049171 0.1428232261 -0.2071255320 -0.0059105287 -0.0077435670 -0.1053411038 0.0667618785 0.0691375904 -0.0005642651 0.0187259957 0.0486264416 0.0039056027 -0.0088402011 0.0336141891 0.0003928214 -0.0468913520 0.0229366508 0.0045722760 0.0604668130 -0.0113812702 0.0230174963 0.0888018273 -0.0708802293 0.0238984356 0.0972881765 0.0244933460 0.0893990477 0.0489548490 -0.0468726276 -0.0124363038 -0.0076709425 0.0632328965 -0.0195319274 -0.0347666499 0.1178049075 -0.0239563500 -0.0425213114 0.0250338431 -0.0842433693 0.0027984892 0.1132294349 0.0200695622 -0.0382893904 0.1576557350 -0.0027163967 0.0341242901 0.1463037660 0.0755380658 0.0272773762 0.0532739494 0.0189968784 0.0375179053 0.0205900390 -0.0201670882 0.0268238490 0.0312558064 0.0622087895 0.0570555310 -0.0290365385 -0.0265635401 0.0682651445 -0.0218806012 -0.0350718857 0.0408145456 -0.0304519266 -0.0698041280 0.0932186108 -0.0132741427 -0.0111270424 0.0145847292 -0.0561033068 0.0189974047 -0.0091266403 -0.0740800369 0.0360262157 -0.0104249750 -0.0783123083 -0.0037864910 0.0283565092 -0.0339436244 0.0710724116 0.0492136916 -0.0019471984 0.1099003162 0.0081316496 -0.0791333430 0.0979305302 0.0366431348 -0.0298196860 0.0045894438 0.0166367971 -0.0313824877 -0.0783867229 0.0380371786 -0.0819431607 -0.0746241021 0.0440859492 -0.0232595198 -0.1124513737 0.0105357980 0.0343452282 -0.0976579780 0.0501905158 0.0443741129 -0.1200303729 0.0017767812 0.0665480662 -0.1011037329 -0.0337856666 0.0445727109 -0.0756362465 -0.0036962104 0.0399283669 -0.1037762943 -0.0924471115 0.0491692997 -0.1013027857 -0.0391102436 0.0551983815 0.0255769140 -0.0822974076 0.0706788635 0.0215249955 -0.0795649607 0.0736818842 0.0765536512 0.0606725089 0.0197954930 0.0775607930 0.1155249337 0.0084060633 0.0299455344 0.0907041343 0.0085669375 0.0878443960 0.0546452977 0.0128069406 0.1547328914 0.0936327317 -0.0384396829 0.0039284774 -0.0353391323 -0.0364979528 -0.0228803082 -0.0807696010 -0.0215680868 -0.0243768699 0.0365300854 -0.0077694621 0.0355548185 0.0025149818 -0.0848793378 0.0777387652 0.0779252317 -0.2675938740 0.0793073534 0.0554746027 0.0017467119 0.2721995053 -0.0234266339 -0.1262942429 -0.0176958156 -0.1273976804 0.0878264314 -0.0559348702 -0.1927854707 0.2526660320 -0.0668493753 -0.1811314711 -0.0030350765 -0.2376801964 -0.1038031399 0.1590839631 0.0409239194 -0.1770826908 0.2508687199 -0.0165056826 -0.0585329670 0.2262334439 0.1748147954 -0.0400088065 0.0067848690 0.0391439191 0.0010940610 -0.0471129161 -0.0500863831 -0.0647313510 -0.0632718518 0.1410221285 0.1327330476 -0.1766571531 0.0348174657 0.2214875810 -0.1977605890 0.1287572485 0.1294511464 -0.2307640911 0.0103419449 0.0848060327 -0.2617358199 -0.0507619336 0.0557369752 0.0382081180 0.0350173397 -0.0577635315 0.0575602833 -0.0689839317 0.1120115756 0.1124696169 0.1124900016 0.0478734219 0.1375646385 0.0544875161 0.0054988892 0.1456073965 0.0635855272 0.0279105143 0.1690968981 0.0616690549 -0.0237537928 0.1015893060 0.0140872517 -0.0961049896 0.0712532448 -0.0311139768 -0.0899294187 0.0586449250 -0.0301891260 -0.1177432835 0.0825991562 -0.0429673547 -0.1004220591 0.0408165192 -0.0431025607 -0.1144151378 0.0012638919 -0.1011587261 -0.1181545317 0.0964559729 -0.0489499186 -0.0581556198 -0.0122633339 0.0251022719 -0.0348349498 0.0339563812 0.0795520463 -0.0423107041 -0.0586737131 0.0364809783 -0.0549531567 -0.0750249699 0.0060219029 -0.0059635427 -0.1119813263 0.0441918363 -0.0790815114 -0.1208127529 -0.0412362682 -0.0849566960 -0.0416494753 -0.0093595552 -0.0699597737 0.0005210981 0.0342391199 -0.1314741163 -0.0124836138 -0.0469120829 -0.0775746275 -0.0859955816 -0.0274400123 -0.0661860776 0.0558611349 0.0162633477 -0.0795387066 0.0945292343 -0.0123727667 -0.0364248927 0.1325208993 -0.0048631199 0.1145172545 0.1800418822 0.0347281986 0.0105837546 0.0029739867 0.0541098500 0.0275890638 -0.0947910725 0.0535645577 -0.0387080512 0.0187168567 0.1462536428 0.0119185258 0.0728931944 0.0320206770 0.0526470688 0.0201138275 -0.0332476289 0.0541129041 0.1085299279 -0.0335648583 0.0878573062 0.0036413793 -0.1056065464 0.0470269768 -0.0579348545 -0.0237087170 0.0787545290 -0.0796232721 -0.0249766122 -0.0073320738 -0.0736931911 -0.0050341882 0.0788644923 -0.1015763533 -0.0278873798 0.0068098191 -0.2481406622 -0.0964987192 0.1674284570 -0.0713475080 0.0415102349 0.0094549335 0.0121391521 0.0044057150 -0.0024867632 -0.0406315561 0.1013437594 0.0050079673 0.0713732924 0.0088553346 0.0280362149 -0.0719494569 -0.0814761414 0.0080169740 0.1171360793 -0.0265660808 0.0240643998 0.1812165317 -0.1299221867 -0.0133759885 0.1968263258 0.0595735137 0.0138622444 0.0323692958 -0.0449110286 0.0443223026 -0.0045592839 -0.0873736804 0.0303137593 0.0503657745 -0.0615591665 -0.0388338077 -0.0016216965 0.0350027086 0.0338079224 0.0196817665 -0.0022163326 0.1169483665 0.0203480407 0.0186257972 0.0239838273 0.0090470944 0.0272512794 0.0232633440 0.0476568659 -0.1217788705 0.0663185794 0.0174299848 -0.2218368663 -0.0601106568 0.1238547064 -0.1455885871 0.0698508408 0.0014294987 -0.0615402229 0.1288773454 0.0493211126 -0.0305717287 0.0442529104 -0.0248990043 -0.0689070839 0.0740223534 -0.0866079406 0.0029005819 0.1067906216 -0.1799187055 0.1475763193 -0.0004864604 -0.1969171286 -0.1004495907 0.1338583889 0.0721545052 0.0322882133 0.2714169872 0.2432188514 0.1629492732 0.0303347756 0.1908183985 -0.1501895475 0.1482463018 -0.0902113519 0.1092811702 -0.0348757292 0.0285496912 0.0309368320 -0.0382267713 -0.0090722742 0.0430405976 -0.0711417085 -0.0061774655 0.0406821979 -0.0395042164 -0.0222806847 0.0051092070 -0.0609416093 0.0097670064 -0.1158709499 -0.0387085905 0.1238281102 -0.1100784222 -0.0701793571 -0.0270480646 -0.2108280811 -0.0652667943 -0.0131278662 -0.1249684366 -0.0740637193 -0.0531936360 0.0166365374 -0.1191803752 -0.1460525539 0.0109220247 -0.0550422353 -0.0183411023 0.0874344779 -0.0589945601 -0.0349219071 0.0744421117 -0.0875351238 -0.0169434886 0.0777837466 -0.0589813493 -0.0252016527 0.1018089582 -0.0146023858 -0.0549168479 0.0818592498 -0.0129547192 -0.0827242140 0.0544239477 0.0014536587 -0.0595600070 0.1138618403 -0.0438689744 0.1133792461 0.0519972908 -0.0569618677 0.1117327745 0.0435102593 -0.0350836562 0.1243875570 0.0768896811 -0.0536650091 0.1100930173 0.0489813105 -0.0089098125 0.1028516702 0.0247396915 0.0540695125 0.1433147858 -0.0084715394 -0.0423581204 0.1301707900 0.0543001645 -0.0061670903 -0.0057195385 -0.0131568240 0.0332634413 -0.0283115181 -0.0382302272 0.0285895292 -0.0226761610 -0.0340960827 -0.0702727545 -0.0377610518 0.0162204256 0.0089647837 -0.0044628114 0.0284413034 0.0309588976 0.0179587282 0.0343113064 0.0047496617 -0.0161006901 0.0568904481 0.0053175986 -0.0024753984 -0.0100165441 0.0147248310 -0.0015004580 -0.0186759652 -0.0183681152 -0.0070282654 -0.0159799276 0.0239837521 -0.0038933777 -0.0218145162 0.0436989779 -0.0001640699 -0.0308592149 0.0160709697 0.0105110057 -0.0257633193 0.0261341333 -0.0359259496 -0.0057155408 0.0417786352 -0.0707239047 0.0464249663 0.0013675916 -0.0770562194 -0.0463138993 0.0413302424 0.0244232647 0.0013551069 0.0987277250 0.0972502120 0.0577432668 -0.0103651590 0.0743322972 -0.0727230677 0.0487355216 -0.0490437198 0.0257813635 -0.1168594162 -0.0469010295 0.0164210130 -0.0112991249 -0.0245858167 0.0188956983 0.0344322176 -0.0028972654 0.0250040190 -0.0900410403 -0.0587788801 0.0066925760 0.0048669768 -0.0378477263 0.1539177225 0.1033656802 -0.3612176975 0.1530288903 -0.1015595031 0.0379512048 0.4694541560 -0.0106115128 0.1136136895 0.0253647993 0.0345825500 0.0774337747 -0.0942417595 0.0168635702 0.3313687786 -0.0989613179 0.0855543944 0.0046779658 -0.3241099329 0.0286978388 -0.0427953317 -0.0622851882 0.0671943626 -0.0966568402 -0.0285840004 -0.0544945118 -0.0818882766 -0.0758959892 0.0784021470 -0.0173541194 -0.0550303625 0.0973032796 -0.0024236191 -0.0637480668 0.0679745125 -0.0298104299 -0.0506963295 0.0208035844 -0.1281902077 -0.0050264557 0.0524364836 -0.1092939883 -0.0212863401 0.0357754518 -0.1859339410 0.0195288766 -0.0408262763 -0.1169201789 0.0072015847 0.0232374091 -0.0912716349 -0.0196030665 -0.0207124656 -0.1166694165 -0.0009802690 0.0822346166 -0.0981951604 -0.0297493125 0.0072857637 0.0055117067 -0.0278587894 -0.0549887780 -0.0085091742 -0.0461093674 -0.0141693281 0.0801555928 -0.0315588056 -0.0040045786 0.0068863062 0.0156384082 -0.0397187009 -0.0136740055 0.0671908787 -0.0245332963 0.0601716948 0.0730378641 -0.0913262941 -0.0264165124 0.1281267542 -0.0326121499 -0.0822280362 0.0392643011 -0.0636885359 -0.0221118218 0.1797592371 -0.0206915471 -0.2562403582 0.0465914421 -0.0146550482 0.0018291099 -0.1423374202 0.0557449064 -0.0704321007 -0.3035529493 -0.0865994125 0.1743247834 -0.1886594728 -0.0175385573 -0.0392599348 -0.0258792112 -0.0351386501 -0.1043821583 0.0964873448 -0.0873543091 -0.1144842753 -0.0843631681 0.0970711055 0.1071691723 0.0319656634 0.2944363709 0.3039573789 0.1589333291 -0.0233501829 0.2400475438 -0.1716416139 0.1133020110 -0.1006295511 0.1556718182 -0.1012469757 -0.0099273767 0.0184091890 0.0073687873 0.0000920952 0.0303518294 0.0710558066 0.0071049601 0.0353085130 0.1039734955 0.0375073733 -0.0081505627 -0.0121245180 -0.0028402058 0.0534879557 -0.0500768533 -0.0084278551 0.0492398518 0.0012981340 -0.0010494542 0.0453987822 -0.0038314030 -0.0032590999 0.0894850530 0.0087523796 -0.0004703820 0.0197755650 0.0509885283 -0.0020956374 0.0259105207 -0.0085002038 -0.0004713530 0.0355171800 -0.0012735026 0.0066566803 -0.0341983597 0.0114097170 -0.0138233204 -0.0188077854 0.0095975127 -0.0059106966 -0.0811213579 -0.0290071289 0.0666683085 -0.0327264799 -0.0194350582 0.1213989706 0.0068361228 -0.0490677957 0.0773439102 -0.0830025747 -0.0381632018 0.1674649266 0.0048655786 -0.0687409332 0.2159017193 -0.1116560881 -0.0421956219 0.1511214216 -0.0118270904 -0.0078645488 0.2679953446 0.1071570760 -0.0199806488 -0.0143705461 0.0463624912 0.0117740685 -0.0745794286 0.1709826989 -0.0399698109 -0.1137219058 -0.0588721795 -0.0186794771 -0.0032542449 0.0560542939 -0.0091838826 0.0375976206 0.1041676156 -0.0102722346 -0.0722396176 0.0666780445 0.0412163024 0.0343061173 -0.0293433913 -0.0648668815 0.0008458014 0.0477389893 -0.0967499133 0.0753201269 0.0423730525 -0.1025609108 -0.0097775932 0.0967371747 -0.0523752283 -0.0919504977 0.0991423820 -0.1238067501 -0.0259974585 0.2927870972 0.0148219684 -0.3044929249 0.1218018003 -0.0421568051 0.0002871097 -0.0985867336 0.0090604582 -0.0826756277 -0.2621615324 -0.0927813303 0.1787072065 -0.1383993400 -0.0457750482 -0.0237721988 -0.0188209462 -0.0607320286 -0.0604522999 0.0529019909 -0.0917795507 -0.0659599553 -0.0471113969 0.0346714131 0.0636705722 0.0223360518 0.1848427782 0.2056507514 0.1092287535 -0.0628430643 0.1580339817 -0.1183590642 0.0482069314 -0.0974485796 0.1087145885 0.1605498266 0.0711612493 -0.0325733394 -0.0096787590 0.0075146493 -0.0150972124 -0.0344132716 -0.0429762085 -0.0227359758 -0.0495899389 0.0158559865 -0.0015429089 0.0283129676 0.0138997043 -0.0479213438 0.0296554290 0.0500917256 -0.0459518523 0.0263024404 0.0022461008 -0.0785797835 0.0285988722 0.0080719959 -0.0444103152 0.0292966060 -0.0069170016 -0.0115781118 0.0137578848 -0.0246318572 -0.0136960344 0.0443822864 0.0026549331 -0.0013396656 0.0300444831 -0.0200823141 0.0055358373 0.0334692146 -0.0075528214 -0.0145607101 0.0222711765 -0.0121100175 0.0353374791 0.0240999591 -0.0718611783 -0.0028800480 -0.0134078943 -0.1477134143 -0.0329655468 0.0672482208 -0.0596578438 0.0371224111 -0.0078152554 0.0418171042 -0.0091559776 0.0060378141 0.1290812498 -0.1736137085 0.0195233418 -0.0744082309 0.0301582598 -0.0882784727 0.1782754871 0.1311419930 0.0385915867 -0.1103658962 -0.0028292747 0.0340064238 -0.2055318981 0.1618061427 0.1045241779 -0.2261440248 -0.1289181596 0.0098203570 0.0055275870 -0.0343845512 -0.0661806821 -0.0006854680 -0.0440839116 0.0100589747 0.0609824577 -0.0504419945 0.0324335727 0.0321976581 -0.0024944243 0.0040338033 0.0340617186 0.0468806925 0.0407946311 0.0519953485 0.0566428505 0.0375661527 0.0091983587 0.0829651011 -0.0070940254 0.0998295775 -0.0166762463 0.0435535478 0.0744854613 -0.1141095882 -0.0708279938 0.1865561809 -0.0351254611 0.0313362897 0.0551084379 0.0483947933 0.0453747215 0.1046020511 0.1141192349 0.0678001122 0.0035047877 0.0680797107 0.0400489716 -0.0134417033 0.0084338383 0.1021907527 -0.0407568001 0.0231168788 0.0126991134 -0.0484266004 -0.0219499218 0.0049332176 -0.0221877864 -0.0097738400 0.0422648733 0.0200976654 0.0203834907 -0.0706617536 0.0023529569 -0.0297922528 0.0167802990 -0.0967276106 -0.0326478928 0.1063059083 0.0856256958 -0.0104620103 -0.0644724835 -0.0267330963 0.0289305632 -0.0587571622 -0.0506656814 0.0254519713 0.0737429004 0.0307712993 -0.0283410561 -0.1365246727 -0.0524896761 0.0485858128 -0.0411352510 -0.2394383125 0.0513636919 -0.3008407589 -0.0409561471 0.2370831089 -0.1449216348 0.1303043795 -0.0629316873 -0.0537232687 -0.0534785620 -0.0537233801 -0.0705115279 0.0589330824 -0.0572100401 0.0211447734 -0.0661869204 -0.1534380333 -0.0521928846 -0.1538522276 -0.0323117178 -0.0023770782 -0.2382553356 0.0364904194 -0.1294677499 -0.2164684844 -0.1176736525 -0.0134607717 -0.0145624874 -0.0184341731 -0.0197996425 0.0509521665 0.0420496092 -0.0308232241 0.0045240927 -0.0855625571 0.0320676961 -0.1333129179 -0.0273341258 0.0517917548 -0.2545761092 0.2273665328 -0.0055023871 -0.0003223520 -0.0879567785 0.1207661812 -0.3404445108 -0.2399158226 -0.0563146012 0.1457314641 -0.0353037299 -0.0871526433 0.2792221657 -0.2893183233 -0.1266245990 0.3263632233 0.1641493229 -0.0186613602 0.0117805925 0.0163746987 0.0706443141 -0.0142898762 -0.0116420695 -0.0259967475 -0.0134016709 0.0286359245 0.0530188384 0.0109585845 0.0625920113 -0.0061110842 -0.0238915558 0.0030851362 0.0009667783 -0.0554401231 0.0042748895 -0.0182026848 -0.0081259891 -0.0254942116 -0.0025087168 -0.0366453448 0.0073820875 -0.0095906385 -0.0237559819 0.0384470423 0.0080930900 -0.0687017434 0.0106367879 -0.0162359180 -0.0150119762 -0.0254540449 -0.0210187026 -0.0367720656 -0.0547876302 -0.0281228505 0.0116165510 -0.0342521848 -0.0202907134 0.0172808293 -0.0021878189 -0.0540233355 0.0330159406 -0.0116368801 -0.0115161950 0.0374959603 0.0200314352 0.0094236252 0.0138580263 0.0136320583 0.0050116466 -0.0043432881 -0.0064972290 0.0427156527 0.0022413037 0.0235087218 0.0040393684 0.0406957860 0.0353609443 0.2246355794 0.0714556855 0.0552716822 -0.0082312441 -0.0009909385 0.0416974304 -0.0489596225 0.0090828940 0.0408565136 -0.0977995195 -0.0545288397 0.0696274311 -0.0725515249 -0.0114831121 0.0648599375 -0.1488393334 -0.0319434388 0.0564821493 -0.0914875103 -0.0212041251 0.0546611705 -0.0503514677 0.0390171655 0.1395189877 0.0136678337 -0.0363416909 -0.0062145547 0.0925859881 -0.0314417572 0.0053044359 0.0105051218 -0.0251790488 0.0243437460 -0.0032875409 -0.0610922427 -0.0946219966 0.0286251867 -0.1064046868 -0.0647748401 -0.0088884763 -0.0885316233 -0.1639103403 -0.0243118848 0.0222582986 -0.0924731656 -0.0160686618 0.0744002392 -0.0527956146 -0.0247187234 0.0504956038 -0.1470257422 0.0694499277 -0.0207411794 -0.0138440563 0.0465339610 -0.0640006608 0.0572428371 0.0328586788 0.0685886082 -0.0852811920 0.1794614863 -0.0666526980 -0.0627351629 0.0113247302 -0.0105724123 0.0329568982 0.0031978270 0.0042480631 0.0015252683 -0.0337636657 0.0004144130 0.0461348950 0.0237463664 -0.0423846684 0.0666564669 0.0715376981 0.0050315169 0.1253650785 0.0403362744 -0.1508903334 0.0825368712 -0.0381607702 -0.0433809864 -0.0582542822 -0.0122669850 0.0413414109 0.0606534601 -0.0417304123 0.1129004138 0.0545117683 0.0741492555 -0.0125864629 0.1308602852 -0.0210446239 0.1301377546 0.0787558755 0.0055763797 0.1414124839 0.0730686774 -0.0312326519 0.1262495420 0.0770324226 0.0357440411 0.1207794218 0.0612086515 0.0845707692 0.1502431731 0.0704939277 0.0814636991 0.1449809140 0.0771719582 0.0544056165 -0.0370173690 -0.0004730704 0.1963764690 -0.1097770884 0.0511650513 -0.0234143189 -0.1293406890 -0.0773324788 -0.0033802611 -0.0315390941 -0.0316166957 0.1970219131 0.1707284327 0.0999394233 -0.2853683329 0.0914773741 -0.1630494948 0.0400188247 -0.3487167391 -0.0513633057 0.0080319479 -0.0680977190 -0.0574308163 -0.0743823942 -0.0651569129 -0.0453347066 -0.0208452978 -0.0925082877 -0.0453556816 -0.0485584637 -0.0313949298 -0.0119749203 0.0029557828 0.0134363389 0.0283773304 -0.1594374602 0.1562376297 0.0173912464 0.1379519792 -0.0027187478 -0.1455295180 0.0326465213 -0.1042823575 0.2062305480 0.0121151580 -0.0008041308 0.0376258803 0.0813882693 -0.0666615226 0.0489466309 -0.0421920031 0.0126859434 0.1190613922 0.0009475558 0.0523374378 -0.0378450908 -0.0185897356 0.0806033914 -0.0611731330 0.0482038930 0.0781656150 -0.0185503137 -0.0236850001 0.0114046058 -0.0491259461 -0.0265542009 0.0014768224 -0.0654159092 -0.0818110969 -0.0433529034 -0.0333911096 -0.0609333177 0.0676981713 0.0102028287 -0.0832379294 0.1190070224 -0.1081223289 -0.0276442723 0.0062631506 0.0802663447 -0.1385507629 0.1523351947 0.0980438801 0.0175447116 -0.0360006356 -0.0249179891 0.0536273411 -0.0746202349 0.0650301508 0.0523509348 -0.0894288774 -0.0837594254 0.0013403224 -0.0109669797 -0.0654089135 -0.0437117086 -0.0655828270 -0.1316785965 -0.0054852966 0.0954773300 -0.0887621128 0.0169138506 -0.0084419707 0.0873049028 0.0146101674 -0.0325612459 0.0613588118 0.1188201762 -0.0279302669 0.0872629573 -0.0153758706 -0.0377126421 0.0919382259 -0.0098599756 0.0277493304 -0.1064355565 0.0961623237 0.0008044424 -0.2648020906 -0.1401660453 0.1682444393 -0.1435235839 -0.0263581855 -0.0089652817 -0.0157137149 -0.0314988139 0.0271784773 0.0447362793 -0.0357341951 -0.0851038955 -0.0119973974 -0.0325219808 0.0025938398 0.0095317055 -0.0458083236 0.0062234832 0.0101863077 -0.0373181029 0.0063685470 0.0177194487 -0.0208951971 -0.0057229399 0.0177644992 -0.0274752177 -0.0211940255 0.0022441587 -0.0069631519 -0.0165473203 0.0324920551 -0.0233945770 0.0095991462 0.0227374904 -0.0007940216 0.0479397318 0.0825019404 -0.0184634016 -0.0332646471 0.1058296160 0.0208105943 -0.0071175032 0.1114563597 0.0525674549 -0.0363834090 0.0224357977 0.0080686475 0.0156235318 0.0438987041 -0.2777767715 0.2489588084 0.0239265023 0.2387077512 -0.0101240064 -0.2483491637 0.0609154129 -0.1815546501 0.3542910489 0.0307292427 -0.0070138636 0.0478939044 0.1393240105 -0.0979956721 0.0649847090 -0.0436726216 0.0145197889 0.1663313644 0.0105690489 0.0563073849 -0.0650334425 -0.0071693909 0.0870489563 -0.0953457365 0.0689071252 0.0877494833 -0.0420425420 -0.0078675931 -0.0058853894 -0.0740776422 0.0142622231 -0.0461327837 -0.1309771611 0.0116218036 -0.0179339660 -0.0253724275 0.0459220600 0.0081326667 -0.0060002374 0.0560595896 0.0069703271 0.0007276795 0.0234090371 0.0230918675 -0.0612734059 0.1018844494 0.0144727406 -0.0006478837 0.0003495633 -0.0159337264 0.0398179644 -0.0217980915 -0.0376620946 0.0641855562 -0.0042084876 -0.0431814108 0.0101298851 -0.0032007670 0.0136873659 0.0499732316 -0.0033883175 0.0547088920 0.0994727807 0.0141630952 -0.0555389758 0.0542286000 -0.0447628115 0.0205070671 -0.0546447624 -0.0345023244 0.0295414347 0.0290096552 -0.0141650386 0.1157578103 0.0367215747 -0.0599058269 0.0001660400 0.1139209939 -0.0160992434 -0.0392423315 0.0068531515 -0.0692451544 -0.0624183906 0.0181576088 -0.0090870757 -0.0651185841 0.0078613889 0.0462376702 -0.0611822441 0.0006273694 0.0250548736 -0.0522115068 0.0270928882 0.0738228844 -0.0700617293 0.0138504442 0.0502974459 0.0030501488 -0.0114236162 -0.0290691568 0.0320612079 -0.0200003381 0.1043613382 0.0452287447 0.0119777819 0.0938881483 0.0431741999 0.0071770057 -0.1878648660 -0.2047830828 -0.1321079190 0.4667589752 -0.1029523881 0.1505441753 0.0367108525 0.4701591367 0.0201105655 -0.0248143314 0.0209406969 -0.0583183793 -0.0713636572 -0.0195250116 -0.0275598988 -0.0587249404 -0.0540227788 -0.0315562024 -0.0302037380 0.0394568597 -0.0277220543 -0.0832910839 -0.0197949096 0.0466829717 -0.2858511904 0.1146695346 0.0309813713 0.0451045729 -0.0407939475 -0.1349797535 -0.0416114701 -0.1146942449 0.2674477487 -0.0365308161 -0.0386561064 0.0227266636 0.0124266155 -0.0658829631 0.0308758798 -0.0634557758 -0.0286282178 0.0693705105 -0.0325130244 -0.0059379326 -0.0035215542 -0.0626562626 0.0057023976 0.0081109381 -0.0167816247 0.0057223179 0.0123163614 0.0421081536 0.0014912505 0.0041532765 0.0858558290 0.0105960336 -0.0365482991 -0.0038816800 -0.0567407751 0.0412760899 -0.0448486797 0.0159502814 0.0081747722 -0.0332728683 0.0261514234 -0.0064164074 -0.0282769945 -0.0122481990 0.0446091678 -0.0925439922 0.0213506654 0.0148392145 -0.0173311834 0.0257401446 -0.0173251627 -0.0078187345 0.0328943082 -0.0234632317 -0.0147097196 0.0349317744 -0.0073770038 -0.0109027005 0.0213698191 -0.0124839912 -0.0096587793 0.0189144602 -0.0160344827 -0.0309974082 0.0414324856 -0.0017592261 0.0313843255 0.0149313744 -0.0081713284 0.0301645486 -0.0123463579 -0.1112873435 -0.0589130289 -0.1453441483 -0.1366242964 0.0621899918 0.0416806917 -0.2550325779 0.0330487300 -0.0141453256 0.0369927767 -0.0103274590 0.0178102597 0.1405957128 0.1338043917 -0.0836285980 0.0659098857 -0.0305365767 0.0264162169 -0.0019029114 -0.0199091900 -0.0097769950 -0.0639426477 -0.0634900258 0.0715134347 -0.0205794738 -0.0350916431 -0.0000223092 0.0073311349 0.0120311275 -0.0114984142 0.0023883248 -0.0603297556 -0.0192309672 -0.0029573347 -0.0743124321 -0.0305227942 -0.0104736188 0.1320048369 0.1549837828 0.0965496217 -0.3539603622 0.0794334145 -0.1180661924 -0.0311116488 -0.3490695659 -0.0262558329 -0.0013390667 -0.0181382154 -0.0040415646 0.0749078149 0.0540968401 -0.0407420670 -0.0006099480 0.0672338265 -0.0434115014 0.0271797872 0.0315251943 0.0019772424 -0.1185467625 -0.0395882121 0.0484086798 -0.3518889064 0.1127361185 0.0297061040 0.0288987940 -0.0636756972 -0.1609271595 -0.0707630011 -0.1496172446 0.3008016201 -0.0691693661 -0.0570720797 0.0265717492 -0.0340415222 -0.0814661461 0.0321737884 -0.0931205849 -0.0471088302 0.0698567116 -0.0534285784 -0.0205462708 0.0303209279 -0.0837736497 0.0014540450 0.0349708039 -0.0436723288 -0.0041898657 0.0644465970 0.0709406377 -0.0186839298 0.0531411742 0.1998753802 0.0309985851 -0.0125859213 0.0867320912 -0.0402330967 0.1166493679 0.1769342430 -0.0148172094 -0.0290446196 0.2302853609 0.0013721031 -0.0211122131 0.1103980559 -0.0049531178 -0.2014069280 0.3240436553 0.0112121417 -0.0061407526 0.0443476337 -0.0669399173 0.0939185950 -0.0034820706 -0.1103051466 0.1395753926 0.0551410589 -0.1255361018 0.0287918112 0.0067284175 -0.0430992179 0.0383185024 -0.0276576998 -0.0012089693 0.0848204801 0.1080906566 -0.1511894755 -0.0119820008 -0.0124843955 0.0341658389 -0.0339763580 0.0527865319 0.0338620166 0.0849986760 0.1683755013 0.1908214571 0.1186105775 -0.0874366748 0.0082145841 0.2290930537 0.0201735146 -0.0315194072 -0.1175996433 0.1070088219 -0.0517623583 -0.2441873679 -0.1242559053 0.0724591477 -0.1561355016 -0.0522358015 -0.0435619008 -0.0485701953 -0.0672090053 -0.0435778260 -0.0344909716 -0.1191257138 -0.1022208022 -0.0706177616 -0.0798761133 0.0115098468 0.0292622758 -0.1129936530 0.0325113352 0.0102713076 -0.0757283492 0.0314931628 0.0539180696 -0.0986594172 -0.0182334723 0.0296969226 0.0120835809 0.0769520380 0.0815105340 -0.2678863119 0.0363414496 -0.0145828429 -0.0730067145 -0.2000984912 0.0088747247 -0.0505806300 0.1232564562 -0.0333590346 0.1465632652 0.0636078948 0.0396656653 0.1080901757 -0.0208775065 0.0268505629 -0.1644288790 -0.0562431184 -0.0699963185 -0.0094145213 -0.0034702747 -0.0071802050 0.0599786716 -0.0407381063 -0.0022486849 -0.0830975935 -0.0102569463 0.0427626683 -0.0209762378 0.0571675434 -0.0842225273 -0.0029603528 -0.0212722582 0.0189281677 0.0024291075 -0.0490547324 0.0192391611 -0.0049836479 -0.0102202839 0.0478079746 -0.0024241503 -0.0051649790 0.0066757861 -0.0023639041 0.0206644153 -0.0227486264 0.0234501314 0.0091554283 0.0147603041 -0.0146692598 -0.0142212979 0.0123969428 0.0650532601 0.0431133387 0.0120066685 0.0593153065 0.0445950681 0.0138200685 0.0687423041 -0.0178759189 -0.0268210961 0.3719972233 0.2023718207 -0.2781299690 0.1387677624 -0.5272355223 0.0141775014 -0.2900602487 0.1945256604 0.1962999923 0.0159689279 0.0244379217 0.0013488175 -0.0278567645 0.0046219892 0.0081316679 0.0450566558 0.0115196359 -0.0134410731 0.0067534297 0.0195525320 -0.0127042869 0.0174524910 -0.0046408324 -0.0409847845 0.0359837240 0.0217416614 -0.0351812845 -0.0236212127 -0.0054659735 0.0199875316 -0.0052953731 -0.0044959513 -0.0328050429 -0.0331836480 -0.0666154955 -0.0413204053 0.0172555384 0.0145648640 -0.0911110199 0.0022202701 -0.0018846827 0.0211564199 -0.0230749552 0.0026004848 0.0553826799 0.0410901282 -0.0277958336 0.0317032372 0.0056460200 0.0038420179 0.0069616677 0.0035200190 -0.0019385572 -0.0008098319 0.0124495557 0.0162404487 0.0086228859 0.0091474950 0.0015305121 -0.0051335980 0.0127981218 0.0016291446 -0.0072057473 0.0112423919 0.0023002156 -0.0053959666 0.0104707576 0.0005501875 -0.0059174459 0.0161535935 0.0035508614 -0.0055834364 0.0093553735 0.0022324251 -0.0084987221 0.0107110326 -0.0038472924 -0.0019578236 0.0038810069 0.0054253952 0.0189622820 -0.0132305014 0.0091662005 0.0027655764 -0.0343832928 0.0302527427 0.0043902601 -0.0692910108 -0.0309787918 0.0136276914 0.0263667919 -0.0018668543 -0.0012964427 -0.1568222503 0.1015119650 -0.0151452956 0.2210028163 0.0127157610 -0.1443472230 0.0549832784 -0.1695444312 0.1918660971 -0.0008732560 0.0424161453 -0.0449649062 -0.0393655350 0.1211774817 -0.0517302368 0.0354619139 0.0184204530 -0.1372466577 -0.0006589307 -0.0239623691 0.0039153341 0.0317518241 -0.0619273271 0.0243177931 -0.0614404766 -0.0546468751 -0.0126583626 -0.0055817971 -0.0040723613 0.0078049052 -0.0328844167 0.0033226989 0.0402980174 -0.0045520279 0.0104761991 -0.0186203824 0.0176497534 0.0006131269 -0.0144473563 0.2042125221 0.1443349916 -0.1876371031 0.0724915543 -0.3335977951 0.0363344762 -0.2360229976 0.1419748776 0.1346458809 0.0024247754 0.0239602660 -0.0098000724 -0.0154997468 0.0164132847 -0.0079613871 0.0108004479 0.0205963170 -0.0136302618 0.0062288140 0.0122365573 -0.0018723366 0.0288096638 0.0039796290 -0.0106300066 0.0075798803 0.0058445697 -0.0009201631 -0.0094413495 -0.0085981780 0.0080504247 -0.0061382929 -0.0028657201 -0.0167933435 -0.0245860410 -0.0309239015 -0.0222547793 0.0144155538 0.0035619930 -0.0437788572 -0.0035121667 0.0083530374 0.0157722167 -0.0157009203 0.0153831817 0.0412959888 0.0217996729 -0.0126068616 0.0226412028 0.0030041818 0.0132779813 0.0003506278 0.0181119629 0.0112924943 -0.0138106249 0.0025995991 0.0330281656 -0.0018168950 0.0062413638 -0.0125630287 -0.0014760143 0.0218999637 -0.0261672830 0.0137825782 -0.0058122822 -0.0289055095 -0.0161685162 0.0051481669 0.0023913106 -0.0034216476 -0.0314336868 -0.0205855898 -0.0099951424 0.0469193159 -0.0095207676 0.0048747609 -0.0011005434 0.0519966830 -0.0064152775 0.0018746197 -0.0163736061 0.0086428092 -0.0158448313 -0.0032566332 -0.0044009690 -0.0248348631 0.0060150834 -0.0035042501 -0.0227953241 -0.0108462976 0.0136142968 -0.0289907336 0.0076222402 -0.0003357186 0.2757091264 -0.1252086962 0.0238846139 -0.3419650718 -0.0251255678 0.2035187602 -0.0777987391 0.2670589044 -0.3185111872 0.0068177366 -0.0779042667 0.1034187407 0.0801240490 -0.2387267582 0.1162734722 -0.0581120974 -0.0319963617 0.2747932621 0.0004477256 0.0548827746 -0.0018877508 -0.0595928969 0.1203855167 -0.0357147017 0.1215609327 0.1110359779 0.0180368440 -0.0092248692 0.0161239582 -0.0173847903 0.0389328840 -0.0015038375 -0.0787521308 -0.0205109724 -0.0217577709 0.0352165782 0.0001182307 -0.0016259855 0.0003843269 -0.0178720225 -0.0127034763 0.0126404599 -0.0027698265 0.0269445181 0.0009601859 0.0181417783 -0.0127713147 -0.0113905975 0.0077626816 -0.0056103296 -0.0050326890 0.0158590203 -0.0016566269 -0.0069830860 0.0071636818 -0.0032758780 -0.0024277361 0.0059083595 -0.0170170868 -0.0124567429 0.0056621793 -0.0238536959 -0.0212451847 0.0092713261 -0.0088990210 -0.0168146264 0.0202529883 -0.0080898126 0.0085851750 0.0265106246 0.0206907262 0.0019558514 0.0184418186 0.0261698196 0.0000805022 0.0417939900 0.0152004140 0.0032711144 0.0040123009 0.0615272817 0.0106111348 0.0270008365 0.1164023741 0.0882737925 0.0326624939 -0.0136063735 0.0197881088 -0.0157341500 0.1029316412 -0.0726458906 0.1650396471 0.0836451062 -0.2301497351 -0.1334147480 0.2599699283 -0.1382117690 -0.0210676135 -0.1349040551 0.0414126528 0.1172486232 -0.2695337152 0.2003673710 -0.1633916965 -0.3065019624 -0.1032904101 -0.0831100753 0.0069565773 0.0107032868 -0.4270175999 -0.1703395675 -0.0030166862 0.2125214415 -0.0794858643 0.0739959686 -0.1267943276 0.4050542973 -0.0888227309 0.0101985433 -0.0130091334 0.0124495775 0.0501748139 0.0210211324 -0.0011890757 0.0393715339 0.0229623951 -0.0010859472 -0.0044262750 -0.0244706912 0.0017703234 0.0031465191 -0.0023358466 -0.0018582209 -0.0244959052 0.0099585439 -0.0041489731 0.0347614877 0.0015131123 -0.0211526176 0.0070472681 -0.0300087560 0.0259339175 -0.0037968531 0.0075114147 -0.0090055554 -0.0138890073 0.0232193918 -0.0109362376 0.0037105950 0.0030662022 -0.0266374274 -0.0023719946 -0.0076438874 0.0038438323 0.0085445269 -0.0108051110 0.0000641651 -0.0145114123 -0.0118426340 0.0050679175 -0.0036960766 -0.0084408646 0.0077600223 0.0118408335 0.0078685812 0.0143743984 0.0219566944 0.0147372372 0.0036631201 -0.0826940566 -0.0190477768 0.0090588844 0.0664404860 0.0770443341 -0.0917424678 -0.0052443265 -0.2993161066 0.1356686976 -0.3736429882 0.0448295127 0.0807191212 -0.0494150664 0.0849398483 -0.0478480263 -0.0333397182 0.1491499435 -0.1495012053 -0.1159609971 0.1630299597 0.0393428222 0.0158509758 0.0018254670 0.0637193398 0.1514305401 0.0775286332 0.1588782448 -0.0664759214 -0.1330786707 0.1620022226 0.0418050162 -0.0141655071 -0.0700722091 0.0167692256 0.0414388679 0.1288667260 0.1186265627 0.3347819171 0.1614570567 -0.0845120115 -0.0478321113 0.3973855466 -0.0072289196 -0.0048798235 -0.0675125453 0.0660681590 -0.0238118542 -0.1775557144 -0.1445775080 0.0712359538 -0.1044086170 -0.0143905309 -0.0246112464 -0.0235426549 -0.0208837168 -0.0087848282 0.0067055173 -0.0337788904 -0.0718509742 -0.0276273821 -0.0292825693 0.0062783747 0.0176108045 -0.0568255465 0.0185147021 0.0110864076 -0.0238100482 0.0189690981 0.0315134568 -0.0349670654 -0.0012905691 0.0214147563 -0.0301709553 0.0042315353 0.0253361960 -0.0622569399 0.0010619858 0.0253743909 -0.0310699906 -0.0213551980 0.0073058118 0.0422205262 -0.0928298296 -0.0618742062 0.0605845690 -0.0200785603 -0.0390175924 0.0995960730 -0.1167053431 -0.0490310267 0.0564404082 0.0493811192 0.0002431844 -0.0059158661 -0.0023974819 -0.0039701228 -0.0427282480 0.0119294079 -0.0070983145 0.0215316409 -0.0017907689 -0.0284725421 0.0006170856 -0.0234682007 0.0328448610 -0.0039564064 0.0035481948 -0.0138971553 -0.0210358903 0.0281366981 -0.0168902266 0.0115897392 -0.0024696280 -0.0423566966 0.0003687719 -0.0105634517 0.0077254188 0.0033875011 0.0064066718 -0.0142351508 -0.0013606729 -0.0034681406 0.0273450932 -0.0089325604 -0.0235695344 0.0108303764 0.0161564469 0.0154348234 0.0291227451 -0.0064427774 -0.0158157525 0.0008737369 0.0452478759 0.0145463405 -0.0122118993 0.0116318598 -0.0027329286 0.0013525641 0.0161803849 0.0840630614 -0.0718331555 0.1437120586 0.0161117865 -0.0133463956 0.0286510150 -0.0280100318 0.0121705982 0.0062943127 -0.0775112936 0.0835596765 0.1189823526 -0.0789722371 -0.0449598492 -0.0374832627 0.0392811649 -0.1097363726 -0.1928992109 -0.1068892800 -0.2900762132 0.0336684195 0.3023555179 -0.2293691678 0.0167232921 -0.0164850150 0.0286186647 -0.0442741358 0.0990853671 0.0277713405 -0.0399392561 0.3026705667 0.0330884656 -0.1236510421 0.0509936286 0.1862241211 -0.0534915540 0.0097888304 -0.0098361979 -0.0809732224 -0.0146106252 -0.0273049407 -0.0744248041 0.0147794870 -0.0159503772 -0.0160238454 -0.0169105080 0.0092400231 -0.0450910373 0.0044138012 0.0629156178 0.0256217293 -0.0612004206 0.0305071942 -0.0180987176 0.0089108423 -0.0164135672 -0.0420010252 0.0222122305 -0.0263168019 -0.0020687858 0.0288709027 0.0009352401 0.0189731679 0.0030259815 0.0023232582 0.0485475395 0.0013391732 -0.0177589173 0.0372156199 -0.0003674734 0.0017029634 0.0155383952 0.0002868193 0.0461836241 0.0597681384 -0.1716898403 0.0427068722 0.0511032557 0.0818570250 -0.0695973346 0.1145706224 0.1331231579 -0.0566537271 -0.0444414268 -0.0448981569 0.0576234944 -0.1068617134 -0.0190127852 0.0043003031 -0.2322003015 -0.0427492525 -0.0078539641 -0.1955924320 -0.0558220346 -0.0151073408 -0.0651613782 0.1199892266 0.1312843574 0.0258938514 -0.0605722241 -0.0687579820 0.0189827857 -0.0279402205 -0.0689793652 0.0171611559 -0.0683232289 -0.0799196944 0.0624695561 0.0691760795 0.0067597045 -0.0896504568 0.1687868430 0.0133070121 0.1899048470 0.1493565863 0.0826432861 0.0918072675 0.0763134150 0.0249871863 -0.0491392701 -0.0414645106 0.0443102308 0.1526602998 0.1256301832 0.0248871040 0.0265073181 0.0060630453 -0.0083035100 0.0012847598 -0.0124456727 0.0161867165 0.0009567760 0.0740657405 -0.0565847351 0.1091314696 -0.0087873102 -0.0255150180 0.0130340537 -0.0132218489 0.0080878892 -0.0151958138 -0.0525469179 0.0590915037 0.0883971616 -0.0509469061 -0.0334950865 -0.0304266803 0.0462026965 -0.0723720370 -0.1426284854 -0.0434093961 -0.1850250349 0.0094406193 0.2245865498 -0.1465818142 0.0046743729 -0.0128658878 0.0080618344 -0.0539746994 0.0586457279 0.0195786722 -0.0609599511 0.1638672109 0.0207432611 -0.0816685372 0.0314219934 0.0978864802 -0.0643347226 0.0258576993 0.0008700227 -0.0614491627 0.0055215716 -0.0377613481 -0.0897534854 0.0590065473 -0.0076720534 -0.0298777906 -0.0019027679 0.0214072775 -0.0718175671 0.0244239798 0.0930258870 0.0409015510 -0.0550645799 0.0558867436 -0.0248557116 -0.0015430607 -0.0362203525 -0.0264424844 -0.0050117567 -0.0283405624 -0.0227574191 0.0010514068 -0.0331068301 0.0438778303 0.0032991274 -0.0062901211 0.0796674109 -0.0073627943 -0.0413353493 0.1043837939 -0.0051981178 -0.0115889720 0.0337836782 0.0261100751 0.0776802127 0.0623134965 -0.1055649565 0.0239580921 0.0328831789 0.0574800235 -0.0382211845 -0.0592401335 0.0070777946 -0.0481853612 -0.0217580043 0.0014399805 0.0320661130 0.1334318820 0.0143716814 -0.0039694208 0.3149947471 0.0544505161 0.0135774318 0.2666238532 0.0676599868 0.0187559234 0.0728689591 -0.1929278532 -0.1863112320 -0.0626450692 0.0779514230 0.1107224861 -0.0559684014 0.0150932717 0.1104527936 -0.0610286019 0.0912146481 0.1409787709 -0.1043978062 -0.1000006228 0.0148717774 0.1316860701 -0.2730651242 0.0372848931 -0.3050378394 -0.2298774407 -0.1174419770 -0.0965449102 -0.0741918352 0.0010316526 0.1099002964 0.0491541887 -0.0592501381 -0.0560432314 -0.0621996650 0.0393268344 -0.0379791786 -0.0167671740 0.0065534809 -0.0760690908 -0.0220371498 -0.0032422973 -0.0011201227 -0.0166961390 0.1058023034 -0.1176950724 -0.0283246738 -0.0032401036 0.0294123817 -0.0101266068 -0.0495718561 0.0672385207 0.0183379890 -0.0751626266 -0.0255630574 0.0146204509 -0.0210989754 0.0708421850 -0.0880393240 0.0378380033 0.2255799773 0.0175365220 0.1677020335 0.0232687932 -0.3075769858 0.1313121299 0.0408497327 0.0056637407 0.0101537103 -0.0671340730 -0.0148361020 -0.0014341862 -0.1478040195 -0.1074893418 -0.0241815013 -0.0434662309 0.0334835588 -0.1288566303 -0.1064698608 0.0731159570 0.0349876042 -0.0204937899 0.0678179216 -0.0618442144 -0.1299901450 0.1931739293 0.0233408122 -0.1051921323 0.0395574738 0.0724845221 -0.2087047483 0.0945819942 0.2355360726 0.0844047513 -0.0802439413 0.1642621007 -0.0852648799 -0.0365552172 -0.1171974667 -0.0116249549 -0.0992817117 -0.0459229649 -0.1334522353 -0.0920991312 -0.1606124159 0.1212684545 0.0014151476 -0.0349123607 0.2246626323 -0.0262217022 -0.1321984077 0.3361218911 -0.0187514367 -0.0695938369 0.0860207135 0.0905787506 0.2352021147 -0.0216567451 0.0484405267 0.0158280222 0.1142747790 0.0750035692 0.0124086727 0.1201742282 0.0799391594 0.0154445472 -0.0078972650 -0.0566601635 -0.0378380041 -0.0182314473 -0.0046127119 -0.0035743057 -0.0504846693 -0.0122736541 -0.0069162806 -0.0344882598 -0.0117735902 -0.0086792499 -0.0087424588 0.0224024603 0.0255922869 0.0074744120 -0.0110021079 -0.0178156789 -0.0015125518 0.0033339693 -0.0197733428 0.0131245152 -0.0133124922 -0.0277437007 0.0149414242 0.0071680331 0.0055593686 -0.0065620259 0.0460148237 -0.0219063761 0.0441826723 0.0310624142 0.0358923422 0.0042713567 -0.0067145459 0.0142677885 0.0235210388 0.0019623507 0.0232792849 0.0904064937 0.0645004950 0.0109551811 0.0525705106 0.0237588200 -0.0007926376 0.1795628375 0.0592138247 0.0078632056 -0.0112669828 -0.0405379410 -0.1888485802 0.1591340955 0.0509219080 0.0245061036 -0.0805905011 0.0360803632 0.0989902908 -0.0878349373 0.0707755550 0.0330964508 -0.0874889805 0.0688562562 0.1322149921 -0.1091934774 0.0583390442 -0.0212646131 -0.3118049931 -0.0383099689 -0.1442137239 -0.0525407176 0.2995258387 -0.1290983120 0.0277964392 -0.0052512331 -0.0341440288 0.0345828981 -0.1077310893 0.0329550153 0.0223699875 -0.2028707637 0.0270905470 0.0929658673 -0.0852499406 -0.0522053421 0.0117395358 0.0203084397 0.0195313261 0.1282132138 0.0489914877 -0.0456906088 -0.0232506067 0.1058110219 0.0075321444 -0.0560952164 0.0318554718 0.0289196919 -0.1063469335 0.0412435037 0.0824688713 0.0157946218 -0.0192098955 0.0640106213 -0.0517561742 -0.0292464623 -0.0518118115 0.0170601982 -0.0832270190 0.0058505992 -0.1025452863 -0.0864229943 -0.0965616116 0.0404550025 -0.0039216353 -0.0160370458 0.0853544707 -0.0141735832 -0.0561455739 0.1456512630 -0.0105231078 -0.0382399805 0.0234714831 0.0413360612 0.1104484733 -0.0018737091 -0.0073402284 -0.0353763255 0.0325802272 -0.0738317994 0.0307566226 0.0282844778 -0.1663379757 0.0166634775 0.0358307944 0.0707878470 0.0068471545 -0.0117901790 0.0076469583 -0.0088660036 -0.0647518366 -0.0109852592 -0.0145514673 -0.0631519374 -0.0109951388 -0.0129741852 0.0050533863 0.0788384285 0.0344209479 0.0437816884 -0.0149137021 -0.0398259537 0.0273668770 0.0333306826 -0.0430414097 0.0641893450 -0.0233345020 -0.0792975705 0.0446961175 0.0294747477 -0.0132530350 -0.0471309561 0.2163310704 -0.1810854274 0.1757612373 0.1532613561 0.1749898724 -0.0722124924 -0.1356162733 -0.0216146179 0.0345683494 0.0413723964 0.0533780272 -0.1871456370 -0.1984398392 -0.0757601663 0.0351470686 0.0196595473 0.0038413759 0.1384537234 0.0592245604 -0.0167700353 -0.0041071551 -0.0664378490 -0.1260083540 0.0824389711 0.0574275631 0.0414025952 -0.0625930448 0.0334370354 0.0736072198 -0.0268068153 0.1057366211 -0.0321799523 -0.1215757871 0.0970923946 0.1419352887 -0.0678751600 -0.0088422053 -0.0024046004 -0.1758404571 -0.0458973165 -0.0492100108 -0.0273605066 0.0946557530 -0.0625317599 0.0352237241 0.0035624442 -0.0405097100 0.0561394632 -0.0817790661 0.0382966532 0.0518610932 -0.1430000398 0.0342251961 0.0660728895 -0.0561733114 -0.0264412609 0.0364491773 0.0033812240 0.0125914289 0.1288298088 0.0327249390 -0.0302624752 0.0106513214 0.0638068277 0.0044769713 -0.0419435496 0.0208928550 0.0189158004 -0.0829154535 0.0222287503 0.0525460676 0.0011965724 -0.0212785845 0.0409285960 -0.0453305313 -0.0210358817 -0.0360453055 0.0095491893 -0.0643268449 0.0095858693 -0.0879737475 -0.0676513087 -0.0721654736 0.0195787805 -0.0046084431 -0.0102373609 0.0596051759 -0.0078798209 -0.0386222560 0.0933098797 -0.0074082389 -0.0287419120 0.0075664597 0.0211506338 0.0849750895 -0.0066359632 -0.0101764127 -0.0520501154 0.0587009837 -0.0498654258 0.0180945953 0.2016995192 -0.0634342932 0.0234939981 0.0342843953 0.0232528208 -0.0272484837 -0.0015658556 -0.0151924554 0.0105105889 0.0562037188 0.0059952421 0.0169188597 0.0553371637 0.0055157381 0.0156562881 -0.0193857338 -0.0928511081 -0.0328278671 -0.0576793539 0.0118170276 0.0434689412 -0.0351996632 -0.0561046235 0.0483506795 -0.0901496169 0.0224119967 0.0986686054 -0.0491619709 -0.0273121123 0.0164581197 0.0707428709 -0.2937147123 0.2692589185 -0.2266250350 -0.2063699141 -0.2675759932 0.1206283154 0.2175659425 0.0328854114 -0.0797767821 -0.0701281680 -0.0680940189 0.2664476967 0.2993176485 0.1031859874 -0.0362018652 -0.0275728282 -0.0137870590 -0.1743810432 -0.0944858018 0.0360106224 0.0158343583 0.0882851246 0.1578482184 -0.1044328199 -0.0973147069 -0.0839195909 0.0697267634 -0.0181694523 -0.0865169498 -0.0963338257 -0.2336689264 0.1905161657 0.2774170226 -0.2068276998 -0.2903367397 0.0547620999 0.1702588761 0.0222169948 0.1852372033 0.1988712170 0.0610224640 0.0190638156 0.0513627308 0.0849495905 -0.0690913751 0.0099171980 -0.0111512416 0.1363996302 -0.0070366642 0.0174157261 0.2196439751 0.0233305769 0.0390933051 0.1152963716 -0.0308487030 0.0879923434 0.1283056065 -0.0210766724 0.0133550246 0.1278136524 0.0361543846 0.1170256143 0.2314462711 -0.0595787479 0.0418869875 -0.0694046665 0.0016252334 0.0266736428 -0.1931776965 -0.0084287600 0.1019714246 -0.0091022557 -0.1249353692 0.0638903662 -0.1000429228 -0.0350911416 -0.0584099423 -0.0082304833 -0.1101100321 0.0224439843 -0.1705542007 -0.1169316287 -0.1238787532 0.0089045438 -0.0129507995 -0.0101126976 0.1002997693 -0.0068073089 -0.0579384338 0.1237206854 -0.0111921923 -0.0485258674 -0.0094818999 0.0070697222 0.1644245946 0.0180767441 -0.0358207507 -0.0123802218 -0.0306383403 -0.0478676293 0.0290456068 -0.0526104536 -0.0890989578 0.0200590877 -0.1133743484 0.0620500659 0.0420246861 -0.0010835727 -0.0002071647 0.0012479494 -0.0030040905 -0.0031983527 0.0010840448 -0.0010326440 0.0007480858 0.0042043998 -0.0002294618 0.0018969510 0.0048473259 0.0009351250 0.0004736507 -0.0031926244 0.0045346781 -0.0042440615 -0.0022282672 -0.0057227633 0.0007166128 0.0036296680 0.0015306876 0.0071912042 -0.0034191366 -0.0021310072 -0.0134132703 0.0241589351 -0.0030264463 -0.0020795217 -0.0218914816 0.0099613255 0.0180028909 -0.0030998364 -0.0179832179 -0.0028672003 -0.0074534546 -0.0280686388 -0.0125118820 -0.0011418882 -0.0141263806 -0.0151402376 -0.0068330303 -0.0707136114 -0.0489576261 0.0289752934 0.0060350593 0.0406755321 0.0633964348 -0.0400164248 -0.0591837427 -0.0515348685 0.0275343768 -0.0011339220 -0.0363157728 -0.0773214312 -0.1307643800 0.1275078916 0.1610515675 -0.1164287220 -0.1609288684 0.0164539681 0.1092073484 0.0078178101 0.0833662670 0.1453288921 0.0512867829 0.0067222485 0.0183998108 0.0426670998 0.0148694296 0.0236997459 -0.0329703748 -0.0915045094 -0.1516305772 0.0653103274 -0.1977356243 -0.4422707183 0.0268231870 -0.0106173602 -0.0345491990 -0.2562165016 -0.0941035411 0.0106995611 0.0023042235 0.0855742211 -0.0292410836 -0.2531277245 -0.3293481725 0.1859215904 -0.0641427553 0.0522891733 0.0187237222 -0.0262973864 0.1719313510 0.0033246003 -0.1352546359 -0.0060053650 0.1763861659 -0.0663659115 0.0859178383 0.0238555471 0.0460569020 0.0292197794 0.0727797096 -0.0081184795 0.1268099209 0.0758107083 0.0897929083 0.0001168851 0.0119199156 0.0050613578 -0.0866195477 0.0015876283 0.0447301298 -0.0845070605 0.0081099537 0.0369567886 0.0135672338 0.0101360537 -0.1406852632 0.0179803838 -0.0643930637 -0.0256470117 0.0867856105 -0.0001399602 0.0573787058 0.1834832499 -0.1117237600 0.0487814850 -0.0904516734 0.0514998513 -0.0086724901 -0.0044313967 -0.0037202006 -0.0016293345 -0.0134288227 -0.0081212008 -0.0026249131 -0.0083105423 -0.0047132029 -0.0008335037 -0.0018869406 0.0030367191 0.0061928995 0.0005393082 -0.0024786983 -0.0035407710 -0.0028263201 -0.0037193339 -0.0043158385 -0.0016243635 -0.0026090610 -0.0014111412 0.0031124562 0.0025170893 0.0036012720 0.0169399827 -0.0070503755 0.0093658232 -0.0018228652 -0.0052897274 -0.0127766353 0.0038301457 0.0148001896 0.0114979648 0.0057665864 -0.0054629106 0.0013632669 0.0674675542 0.0641322295 0.0161167178 0.0009870280 -0.0022930004 0.0035635628 -0.0041147586 0.0006396262 -0.0050886662 -0.0058849436 0.0137172923 -0.0101010456 0.0223158779 -0.0060344538 -0.0007587318 -0.0008793849 -0.0007792406 0.0030588395 0.0056460475 0.0134641343 -0.0178606591 -0.0075295926 0.0150071743 0.0204465375 -0.0014271501 -0.0082785025 -0.0061569546 -0.0038327076 0.0109272776 0.0156460402 -0.0015810729 -0.0276143991 -0.0002593692 -0.0115353456 -0.0048839097 -0.0001112302 0.0000162924 0.0051334068 0.0018449592 0.0158053847 -0.0065205865 0.0054626336 -0.0074859458 0.0133994335 -0.0091546295 0.0034831486 0.0000252353 -0.0001292500 -0.0010348273 0.0000351297 0.0052599930 0.0063364139 -0.0026006279 0.0009149912 -0.0005049584 0.0007170391 0.0000837310 -0.0052661248 -0.0016622742 0.0002680814 -0.0000070454 -0.0011455228 0.0004174016 -0.0012121183 -0.0002760861 -0.0004477575 0.0013469933 -0.0020285297 0.0013507530 -0.0026610362 -0.0024040659 -0.0021899726 -0.0001538287 -0.0002399122 0.0001073700 0.0003666399 -0.0004642398 -0.0004443895 0.0005510532 -0.0002655797 -0.0000692392 -0.0001950533 -0.0002540183 0.0015049922 0.0070095269 -0.0144349220 0.0079974468 0.0086373388 0.0158973596 0.0188701638 -0.1990960611 -0.0938124472 -0.0063105593 0.0043358607 0.0103078199 -0.0216766707 -0.0095376046 -0.0135345923 -0.0186913891 -0.1448188669 0.0702583883 -0.0296306607 -0.1539811917 -0.1061364807 -0.1434218141 0.0357116463 0.1591265619 0.1044906404 0.0915364449 -0.0686569709 -0.0131544675 -0.2569796173 0.3109614802 -0.0705371293 0.3025745267 -0.1531549614 -0.4329604327 0.0862738550 -0.0305808826 0.1963799360 0.1023936274 -0.1017215875 0.2851461097 0.1615351132 -0.1010667867 -0.0876062720 -0.1756019164 0.0819711709 0.0775776244 0.0173840826 0.0224730136 -0.1716551785 -0.1979777177 0.0151319071 0.1878201753 -0.0196382661 -0.0055832375 -0.0209398244 -0.0707062978 -0.0312621638 -0.0036660773 0.0098386351 0.0248913610 0.0667671133 -0.0769034859 -0.0287052179 -0.0438920992 0.0142953159 0.0060505257 -0.0224091471 -0.0723764602 -0.0711000372 0.0597975528 0.0548950451 -0.0589459366 -0.0934876334 0.0302808710 0.0532028213 0.0564838978 -0.0205019568 -0.1518895078 -0.1871817514 0.0180206678 0.3401236184 -0.0149577566 0.0386836895 -0.0682488366 -0.0262000910 -0.0277658715 -0.0750194878 -0.0318700873 -0.0784174914 0.2469095586 -0.0318846825 -0.0313846905 -0.1949353251 0.2442675656 -0.0307511639 -0.0019175153 -0.0003783133 0.0435920937 0.0118145119 -0.0508026907 -0.0499461062 0.0510936876 -0.0079610853 -0.0032359131 0.0236415016 0.0145076555 0.0347803199 0.0363212371 0.0067444294 -0.0035660527 0.0515433397 0.0123645541 0.0249280703 0.0069949580 0.0107043936 0.0371089503 0.0048430961 0.0085784976 0.0250453768 0.0039975028 0.0060699729 0.0092338764 0.0018421080 -0.0059835244 -0.0082922331 -0.0037515441 -0.0025154087 -0.0105746104 -0.0015463860 0.0063068487 0.0126714368 0.0002149016 -0.0403674729 -0.0641120597 0.1657498400 -0.0592802628 0.0564137472 -0.0803519877 -0.1878874766 0.5323875446 0.1898888779 -0.1278769277 -0.0010697355 -0.0710346541 0.2135208323 -0.0087878590 -0.0068139553 -0.0003674915 0.0137880416 0.0464192718 0.0028852476 -0.0175291673 -0.0250221230 -0.0432378132 -0.0144962834 -0.0138819204 -0.0207033025 -0.0139934783 -0.0051517608 0.0241260757 -0.0944050850 0.0856526895 0.0118795495 0.0290618482 -0.0297749507 -0.0809767963 0.0125343041 -0.0117563577 0.0577311274 0.0122528963 -0.0383677828 0.0909205354 -0.0113109460 -0.0392761390 0.0124427228 0.0053249494 0.0072808759 -0.0178559364 -0.0059863626 0.0053784880 -0.0270203195 -0.1756543764 -0.1383685998 -0.0085331402 -0.0029266029 -0.0019859062 -0.0066170419 -0.0249268809 -0.0033576873 -0.0142909788 0.0050886310 0.0060487305 0.0184545192 -0.0213643269 0.0003003771 -0.0040522419 0.0066757493 -0.0002618053 -0.0054847915 -0.0174732530 -0.0067663698 -0.0085395775 0.0084800557 -0.0018852916 -0.0075461425 0.0100181215 0.0043255279 0.0149155607 -0.0219186894 -0.0516067179 -0.0539114256 0.0084494405 0.0975675403 -0.0097557020 0.0102353927 -0.0268775956 -0.0181057334 -0.0131543375 -0.0178197362 -0.0105638891 -0.0076875804 0.0778996851 -0.0033523046 -0.0417074931 -0.0396786932 0.0604025088 -0.0099940488 -0.0040209422 0.0029169335 0.0173379730 -0.0091187836 -0.0323892986 -0.0245643958 0.0447736803 -0.0019951396 -0.0061794287 0.0105430513 0.0110613383 0.0087380496 -0.0048825437 -0.0223375871 -0.0141133757 0.0505219636 0.0041462608 0.0082824123 0.0014121656 0.0045035990 0.0185807097 0.0011748954 0.0002017148 0.0117609257 0.0014505601 0.0027219702 0.0055097976 0.0005263504 -0.0049222435 -0.0012068007 -0.0002403405 -0.0017918710 0.0004231640 0.0010101722 -0.0044174770 0.0066573946 0.0014491588 -0.0151967316 -0.0227059448 0.0306516767 -0.0129659027 0.0456862224 0.0033551345 -0.0152985450 -0.6274288225 -0.3252040915 -0.0955498700 0.0057605755 -0.0115506692 0.0518513373 0.0089033078 0.0008640838 -0.0181476511 -0.1533985312 -0.2372164852 -0.0379152207 0.0279367049 0.0707174097 0.1629648033 0.0521870388 0.0613901610 0.1424097337 0.0411681434 0.0131239259 -0.0785914791 0.1425006807 -0.3127563395 -0.0603654422 -0.0629669556 0.0987337285 0.2421597822 0.0004422352 0.0382038329 -0.0328810032 0.0896851494 -0.0875162425 0.0599283034 -0.1258983489 -0.0577961339 -0.1595437253 -0.0461888261 0.0162671141 0.0691638853 0.0158781878 -0.0131505143 0.0095742582 0.0674773067 0.0821949856 0.1188795496 -0.0004850480 0.0014140615 0.0028668469 0.0318490148 -0.0021647928 0.0299037294 -0.0078829776 -0.0175738487 -0.0219014408 0.0036875565 -0.0220541757 -0.0209941967 -0.0096643843 0.0108914140 0.0056004588 -0.0132971443 -0.0212329531 0.0595587166 0.0202956223 -0.0268651518 -0.0349275495 -0.0041327092 0.0092735404 -0.0069428686 0.0257998000 0.0344782148 0.0235464479 -0.0079848383 -0.0394304298 0.0093403308 0.0385583576 0.0086187364 0.0082759869 -0.0477832748 -0.0486999426 -0.0095389386 0.0159678207 0.0481217959 0.0097308371 -0.1088228868 -0.0717921956 0.0828227614 -0.0138717435 -0.0273121524 -0.0551739104 -0.0503070883 0.0927010539 0.2075397804 0.0553806814 -0.3049184686 -0.0282320143 0.0009604481 0.0551124746 -0.0373362604 -0.1787346725 0.1705786458 0.2716983089 0.1109845026 -0.3071190337 0.0457686000 0.0487852022 0.0804262900 0.0228278431 0.1921931143 -0.1612906056 0.3634609596 -0.1302994704 -0.2112514961 -0.2585777086 0.0090298266 0.0190436538 0.0116982512 0.0104068460 -0.1342839546 -0.1790142882 -0.1621716719 -0.1087646314 0.2956973328 0.0411764752 -0.1148238728 -0.1513850792 -0.0079846920 -0.0052876368 0.0133767022 0.0089599573 -0.0036337618 0.0061794445 -0.0017179104 -0.0029165022 0.0059379018 -0.0079157309 0.0025544611 -0.0206657068 0.0005269735 0.0000885708 -0.0009191022 -0.0058483921 -0.0090911355 -0.0016910143 0.0013542270 0.0027744934 0.0059626083 0.0021709855 0.0020761171 0.0050153519 0.0015281282 0.0004645533 -0.0028010301 0.0051978822 -0.0105517385 -0.0022853515 -0.0003513277 0.0039380887 0.0082277876 -0.0007956505 -0.0005564313 -0.0018128028 0.0049502445 -0.0004228039 -0.0057526497 -0.0030520001 -0.0021977090 -0.0041013070 -0.0039599701 0.0007933753 0.0047566803 0.0033433297 -0.0014333633 0.0011594075 0.0190491882 0.0189796158 0.0048904485 -0.0010184471 -0.0018678025 -0.0040118358 -0.0247382321 -0.0049376503 -0.0096533490 0.0075872188 0.0126375807 0.0225564420 -0.0130701556 -0.0026613770 -0.0048442321 0.0079531068 -0.0018216025 -0.0061458604 -0.0093286477 -0.0036147447 -0.0136035382 0.0045699597 -0.0006167279 -0.0056742988 0.0059128209 0.0016586830 0.0108602402 -0.0149144093 -0.0376784419 -0.0375184382 0.0092742309 0.0622201853 -0.0089412870 0.0673422529 0.0165861005 -0.0175756757 -0.0070233523 -0.0104640130 -0.0065235860 0.0044708448 0.0435017683 -0.0000005043 -0.0348901684 -0.0182560165 0.0300828331 -0.0021299656 -0.0036133248 0.0003329811 0.0096638502 -0.0050689304 -0.0135773438 -0.0014702293 0.0262939007 0.0000825605 -0.0053551821 0.0071007969 0.0099728865 0.0082375544 -0.0044014725 -0.0167824595 -0.0144053183 0.0351697047 0.0037430959 0.0040035577 0.0009209812 0.0028129835 0.0135723088 0.0001487199 -0.0005126966 0.0070933354 0.0005236991 0.0004199716 0.0034165712 0.0000864608 -0.0044447827 0.0028659350 0.0004144559 -0.0037087426 0.0035758266 0.0006476880 -0.0055370876 0.0036593419 0.0005141127 -0.0058329795 -0.0323997701 0.0042724993 -0.0138332056 0.0133474223 -0.0025282764 0.0036511440 -0.5186589059 -0.2774707260 -0.0629074886 -0.0092740732 -0.0146631957 0.0369914345 0.0016635611 0.0057855051 0.0252783105 0.1760375202 0.2681237839 0.0464200738 -0.0331889774 -0.0768935419 -0.1790546487 -0.0436276662 -0.0404637419 -0.1532401739 -0.0249925295 -0.0202867909 0.0667311674 -0.0586778105 0.3322018988 0.0561507338 0.0677070289 -0.1108824431 -0.2542837317 -0.0244518716 -0.0447090751 -0.0367037289 -0.1059641929 0.1293944602 -0.1901361494 0.1795207242 0.0917472381 0.1057676258 0.0367904260 0.0130163756 -0.0221901125 -0.0084136807 0.0000477734 0.0083386473 0.2715544950 0.2214485721 -0.0617681619 0.0070809826 -0.0157054810 -0.0128264403 -0.2124004522 0.0230919672 -0.2180219129 0.0407820850 0.1315570823 0.1184640052 0.0193332472 0.1626265449 0.1674550952 0.0542312680 -0.0730969410 -0.0274672479 0.0360343158 0.1332866239 -0.3979217632 -0.1022215433 0.1878097740 0.2523684446 0.0140670223 -0.0230891629 0.0328842176 -0.1585230411 -0.0873033762 -0.0499495310 0.0349883218 0.1652156988 -0.0325347763 -0.2664919740 -0.0840078486 -0.0180712984 -0.0007243895 0.0035939516 0.0314241809 -0.0716855092 -0.1240264493 0.0075558946 0.0040700061 0.0617830389 -0.1158133873 0.0209169125 -0.0374857271 0.0160452784 0.0840920367 -0.0823764493 -0.1317430891 -0.1107624504 0.0719404735 -0.0216272878 0.0004374364 0.0025607356 -0.0055521222 -0.0862040117 -0.0625403662 -0.0437635423 -0.0013273643 0.0195450910 -0.0085531118 0.0060943232 0.0446123839 0.0028747828 0.0943338200 -0.1071379000 0.2172912111 -0.0733537121 -0.1350868064 -0.1886940657 0.0025601556 0.0157450282 0.0004641278 0.0463201463 -0.0810816973 -0.1460291436 -0.0698327782 -0.0700227165 0.1763072916 0.0175496466 -0.0728831603 -0.0356908965 0.0711187478 0.0245635098 -0.0350640068 0.0572832512 0.0525194924 0.0062755314 -0.0172932074 0.0091176200 -0.0002740891 0.0250209836 0.0377146086 0.0418095444 0.0043884594 0.0053233576 0.0071855994 0.0368497745 0.0556579410 0.0111831743 -0.0040630330 -0.0110923993 -0.0324677176 -0.0035770452 0.0002110539 -0.0261202169 -0.0020471409 -0.0061666564 0.0104465628 -0.0013135046 0.0613911785 0.0093822001 0.0155753284 -0.0221169160 -0.0472782291 -0.0079527140 -0.0048931252 -0.0069562816 -0.0594945545 0.0425915890 -0.0284989663 0.0510251464 0.0407975717 0.0506699899 0.0104533146 -0.0014169259 -0.0103984957 0.0020558294 0.0035824179 0.0068084972 0.1198111676 0.0905525482 -0.0142956343 -0.0184730062 0.0169121967 0.0141649791 0.2488224529 -0.0141153204 0.2355286155 -0.0734336351 -0.1645713203 -0.1829162002 -0.0005071454 -0.1820006032 -0.1868081445 -0.0717972226 0.0774297879 0.0434300303 -0.0341399409 -0.1387647834 0.4424707374 0.0747230351 -0.1915688757 -0.2423693409 -0.0001060433 0.0221874173 -0.0383452219 0.1639625515 0.0916868639 0.0535971525 -0.0339839776 -0.1566127963 0.0361606618 -0.1565312297 -0.1228987344 0.0456450418 -0.0150782446 -0.0499703168 -0.0372076519 -0.0011401562 0.2067867509 -0.0237200288 -0.0910918444 -0.1292690327 0.1883790848 0.0029885688 -0.0285948620 0.0070939445 0.0642699940 -0.0590003995 -0.1124633651 0.0052989645 0.1305125085 0.0021186191 -0.0255482698 0.0227418820 0.0426603466 0.0267597319 -0.0450771512 -0.0999448079 -0.0793790614 0.1734573710 0.0051934661 0.0168108317 0.0048268538 0.0148220537 0.0635721150 -0.0044606684 0.0074297004 0.0252918542 -0.0045864225 -0.0026377632 0.0153843704 0.0002309929 -0.0213291335 0.0143949786 0.0008880419 -0.0202504300 0.0162522170 0.0012765839 -0.0237842853 0.0168026641 0.0008377600 -0.0307506690 0.0474651762 0.0348423317 0.0463777632 0.0561326184 0.0129544798 -0.0432213996 -0.1324050055 0.0988720732 -0.0402749882 0.0670022173 0.0055983605 -0.0685342135 0.0045138018 0.0044262489 0.0071786024 0.0342058752 0.0556692018 0.0109765766 -0.0079679459 -0.0136427446 -0.0335549769 -0.0024150095 0.0045531935 -0.0248821871 -0.0019538230 -0.0065234889 0.0096950621 0.0029603518 0.0602017351 0.0088484607 0.0096976644 -0.0238241456 -0.0462743841 -0.0077889807 -0.0023773225 -0.0088893251 -0.0533254141 0.0296064712 -0.0157106869 0.0445171381 0.0338676772 0.0300264584 0.0102270665 0.0063848351 -0.0070030306 0.0014153159 -0.0007139935 0.0053640032 0.1359334239 0.1120885042 -0.0095370439 -0.0073002089 -0.0019631760 -0.0055858326 -0.0053677203 -0.0021110466 -0.0027276820 -0.0090842710 -0.0038281045 -0.0099573784 -0.0078303756 -0.0076720131 -0.0113999428 -0.0048815807 0.0034552538 0.0058441800 -0.0252628937 -0.0104698791 0.0181656814 -0.0023038449 -0.0062141028 -0.0040324580 0.0110271613 0.0119083266 0.0111095736 -0.0125696959 -0.0173380524 -0.0241198932 0.0154687104 0.0613471491 -0.0053093403 -0.0852492617 -0.0599277424 -0.0106247993 -0.0001352461 -0.0108738270 0.0087424599 0.0381455156 -0.0725777534 0.0149160970 0.0468465602 -0.0063735853 -0.0377320578 -0.0517187145 0.0678075339 -0.0413794172 -0.1274236866 0.2235010680 0.3274784248 0.0741383113 -0.3251705336 0.0038330148 0.0202075103 0.0124059038 -0.0669090520 -0.0149985576 0.2289701084 0.2943357292 0.1553746074 -0.3318137312 0.0241248174 0.0067663407 -0.0551541293 -0.0054734211 -0.1343244137 0.1324051588 -0.2540073791 0.0286566962 0.1607857036 0.2705585392 -0.0061787585 -0.0242530052 0.0300809232 -0.1439600040 0.0951623330 0.2617655263 0.0263671859 0.0923715956 -0.1886274664 -0.0181220355 0.1039598803 -0.0297762005 0.0215394474 0.0184320848 -0.0201008187 0.0611389884 -0.0077268053 0.0289884004 0.0100102965 -0.0769144444 0.0200908696 0.0187117239 0.0046174338 0.0109883767 0.0050333342 0.0037346355 0.0034784202 0.0123250825 0.0232827204 0.0045610848 -0.0046428236 -0.0051594538 -0.0132601812 0.0039811061 0.0109952003 -0.0052564837 0.0035524184 -0.0050518434 0.0008025804 0.0097962840 0.0244059109 0.0008054807 0.0097324427 -0.0117595988 -0.0219889872 -0.0085502399 -0.0028249313 -0.0099269471 -0.0262259492 0.0206341350 -0.0249067949 0.0257485447 0.0186952356 0.0090137296 -0.0041967278 0.0038680710 0.0058564082 0.0031561313 -0.0004876199 0.0033629263 0.1068038876 0.0919427489 0.0104681334 -0.0203406776 0.0177596774 -0.0073344237 0.1576389182 -0.0284678945 0.1865695245 -0.0306940081 -0.1301834168 -0.0770244953 -0.0804911641 -0.1632557509 -0.1887389419 -0.0336173544 0.0567190652 0.0207226913 0.0242071272 -0.0934924692 0.3160011354 0.0054480611 -0.1535135937 -0.2025582521 0.0236616119 -0.0233066564 0.0049926381 0.0597452717 -0.1178136680 -0.1012502418 0.0293153617 0.0571554204 -0.0238147555 -0.0144300639 -0.0104682589 -0.0410815392 0.0347082424 0.1260405941 0.0557954664 -0.1217519954 -0.2889178623 0.0004596861 0.1993571915 0.2557374520 -0.3514363753 -0.0132645698 0.0297303820 0.0358046230 -0.0837543197 -0.0518347568 -0.0439593573 -0.1759065035 0.0055917220 -0.0049851456 0.0557548090 -0.0650621620 -0.0571945914 -0.0376027319 -0.0773782028 -0.0098561843 0.1066154869 -0.1055748067 -0.0328958987 -0.0363117224 0.0223796687 -0.0350019603 -0.0843110210 -0.0687158500 0.1434431474 -0.0489413801 -0.0840964361 -0.1703957658 -0.0320387950 0.0199127589 0.0358764478 0.0550379180 -0.0679086871 -0.1245539537 -0.0689640006 -0.0661613004 0.2010924163 -0.0254465302 -0.0740489835 0.0864738887 -0.0052221072 0.0117654039 -0.0612399308 0.0006449374 0.0018070652 0.0257112655 0.0001177456 -0.1380057405 0.0097978296 0.0448448507 -0.0552797713 0.0612725691 -0.0003758331 -0.0022485678 0.0004584663 0.0025791076 0.0117069128 0.0009955374 -0.0109482978 -0.0099406536 -0.0115159903 -0.0005867057 0.0063798365 -0.0037929505 0.0011388029 -0.0010736232 0.0016787710 0.0003918944 0.0139035686 0.0013526238 -0.0075738907 -0.0093725797 -0.0122191976 0.0009363619 0.0048661923 -0.0032548935 0.0153778331 -0.0077009368 0.0023438701 -0.0065498637 -0.0035791099 -0.0182147469 -0.0007809240 -0.0005054335 0.0010569747 -0.0044916079 -0.0001318715 -0.0020351322 -0.0212812156 -0.0199736918 0.0052663235 -0.0173815638 -0.0074992917 -0.0118378343 -0.0173198048 0.0010922219 -0.0304625873 -0.0292058322 -0.0007134377 -0.0393481091 0.0041777387 0.0058704734 0.0008902951 -0.0065592427 0.0010206445 0.0179231497 -0.0378262258 -0.0054175629 0.0110402620 0.0010038395 0.0058894533 0.0234465767 0.0247378778 0.0128310649 0.0069549713 -0.0007477810 -0.0068017215 -0.0176955497 0.0513966470 0.0399090784 -0.0197938091 0.0271686811 -0.0027544038 -0.0064625632 0.0033739278 0.0109124075 -0.0100538839 0.0160982792 0.0088472750 -0.0070628745 0.0210595858 -0.0027469314 0.0008628878 0.0031438664 0.0025784708 -0.0023836433 -0.0346546521 -0.0184474000 -0.0028428497 0.0381987985 0.0126298888 0.0059533434 -0.0001955394 -0.0102857650 0.0119728699 0.0287372818 -0.0293409577 -0.0391003983 -0.0366183905 0.0407407710 -0.0086736038 -0.0039810461 0.0032785789 0.0007686129 -0.0016995957 -0.0079026419 0.0185639280 0.0202492359 -0.0085176014 -0.0301063921 -0.0026312120 0.0039472381 -0.0056926590 0.0308790901 -0.0087267948 -0.0416263087 0.0055601080 -0.0114479845 0.0193458290 -0.0025400270 -0.0161500199 0.0234787232 0.0001420987 -0.0002830182 -0.0154742852 -0.0448972226 -0.0260584837 0.0028624469 0.3256821705 0.1547445351 0.0462648624 -0.0060340936 -0.0072365126 -0.0007710220 0.1220154851 0.1045593734 0.0391252466 -0.0218407579 0.0253178368 0.0270685024 0.0474662539 0.1068249875 0.1115146858 0.1835027394 0.2914104034 0.2130566983 0.0688813183 -0.0982017730 -0.0843849366 0.1104790849 -0.1266429361 -0.0812176460 0.1558313355 -0.0536964601 -0.0422959955 -0.1871801662 -0.1004796752 -0.0490631889 -0.4491958918 0.1774097881 -0.1836274413 0.1095523577 0.1087142833 0.1755340759 -0.0617113415 0.0444207400 0.1032777058 0.0154641531 -0.0036410252 -0.0146012450 0.2254434566 0.2292965207 0.2015263500 -0.0089546012 -0.0024753487 -0.0065954167 -0.0000582470 -0.0015123334 -0.0036737984 -0.0139829972 -0.0105341187 -0.0216355149 -0.0064873223 -0.0081482718 -0.0125408666 -0.0032830709 0.0031079204 0.0091730253 -0.0091143408 -0.0061920910 0.0219224139 -0.0026665843 -0.0052017416 0.0005960697 0.0131970190 0.0011492803 0.0036786641 0.0004640996 -0.0152777026 -0.0159709275 0.0289098584 0.0202825091 -0.0133195068 0.0030463384 0.0019834370 -0.0051259043 -0.0009077905 0.0013859558 0.0011690155 0.0049050869 -0.0088975445 0.0021440434 -0.0088958807 0.0083273889 -0.0118908781 0.0023234783 -0.0012374195 -0.0019412098 -0.0003829382 -0.0001572218 0.0028952973 0.0073995447 -0.0020318137 -0.0004642867 -0.0024967767 0.0016128245 0.0019793314 -0.0022452140 -0.0003323602 -0.0011696216 -0.0068527916 0.0018703508 0.0001609369 0.0008044002 -0.0000711626 0.0017706905 0.0046483638 0.0006191974 -0.0013365903 -0.0005815445 0.0006895370 0.0036908725 0.0014328378 -0.0006401935 -0.0018436160 -0.0009232184 0.0013864929 0.0020386901 0.0021552268 0.0015660134 -0.0060513700 0.0013871493 0.0016750279 -0.0041403480 -0.0020233337 -0.0031534482 -0.0077013150 -0.0006112128 0.0020458140 0.0099327707 -0.0676937540 -0.0352155277 0.0015284476 0.0017634928 -0.0056284484 0.0034313702 -0.0389737707 0.0354985038 -0.0334439952 -0.0588035264 -0.3125706832 -0.0416861615 0.2875352525 0.2510674325 0.2742804715 -0.0508813387 -0.2700629584 0.0430927266 -0.0418815685 0.0335926328 -0.0028365205 -0.1754983519 -0.2181742901 -0.0169627051 0.2133990669 0.2055258428 0.2058348123 0.0509021289 -0.1039933901 0.1130459052 -0.1401865149 0.1592644923 -0.0597199116 0.2591122205 0.0766956391 0.3783814316 0.0185873790 0.0063962223 -0.0663260716 -0.0205911732 0.0253752070 -0.0483006494 0.1474069546 0.1597132534 -0.1612011822 0.1564792388 0.0704268221 0.0974327822 0.1375463992 -0.0264958102 0.2804473674 0.2835236726 0.0095879648 0.4020849756 -0.0958995892 -0.1155558332 -0.0811356141 0.0508495625 0.0125371931 -0.1631420179 0.2729633979 -0.0139752672 0.0093382959 -0.0098466616 -0.1024453806 -0.2869366713 -0.2133739923 -0.0995297106 -0.0263902875 -0.0770500708 -0.0087946254 0.0858339933 -0.4488076696 -0.1716222417 0.1647480248 -0.0224591202 0.0156558483 -0.0095467053 -0.0084118213 -0.0221620189 0.0145784315 -0.0377394238 -0.0222279884 0.0073416616 -0.0117198362 -0.0145564357 -0.0004369117 0.0219641408 -0.0107177866 0.0050397448 0.0894458391 0.0141125021 -0.0182313764 -0.0245272583 0.0001425862 -0.0074724530 0.0062283611 0.0143729830 -0.0129792879 -0.0400465498 0.0267711130 0.0403002030 0.0487951211 -0.0430246755 0.0104024786 0.0000201833 -0.0032854300 -0.0056753878 0.0137041748 0.0064936821 -0.0296545973 -0.0394304032 0.0058505086 0.0311006276 -0.0018101833 -0.0071945380 0.0095308628 -0.0339302594 0.0157401366 0.0573139405 0.0047170548 0.0160455820 -0.0337406154 -0.0049833106 0.0246740871 -0.0043107664 0.0031266415 0.0071435196 -0.0143343426 -0.0032317596 0.0115974297 -0.0203257768 0.0042396835 0.0001444989 -0.0224511143 0.0077411746 0.0327376066 0.0592161479 0.0179031621 0.0208273877 0.0047168916 -0.0071857520 -0.0150915219 0.0023260601 0.0281704934 0.0365692475 0.0389455367 0.0277928800 0.0321158566 0.0401466873 0.0050569757 -0.0150980353 -0.0134580747 -0.0036370390 -0.0369601555 -0.0147100460 0.0301286638 0.0011823276 0.0058003566 -0.0257046040 -0.0235632997 0.0056626793 -0.0843159614 0.0360028185 -0.0206813765 0.0293171487 0.0222089551 0.0674837836 -0.0005205171 0.0067786566 0.0046047794 -0.0022231497 0.0013285937 -0.0085506876 0.0141177315 0.0185988930 0.0087184277 -0.0049000770 0.0186722366 -0.0212308813 0.0426326041 -0.0338173474 0.1074585827 0.0348401147 -0.0658308531 0.0598027596 -0.1357301276 -0.1133192770 -0.1511015434 0.0083788680 0.0175638384 0.0010607416 0.0874936770 -0.0149604360 0.1043470183 -0.1087857297 -0.0722795483 -0.0922518060 0.0190150816 -0.0454861008 0.0325397201 -0.1008132825 -0.1501340490 -0.0935316075 0.0789397215 0.1271628211 -0.0616755666 -0.0245803120 0.0402443785 -0.0497905473 0.0180275710 0.0581905408 0.0003050429 0.2037702237 -0.1047537159 0.0381044066 -0.1151063523 0.1371715880 -0.0995193933 -0.0248169968 -0.0344723942 -0.0667621420 -0.1744695971 -0.0309343463 0.0898538071 0.1664383083 -0.0960586402 -0.0139210762 -0.1694783336 0.0208288880 0.0757681239 -0.0883779544 -0.0376067881 -0.0750643156 -0.4197077552 0.0658634358 -0.0299893713 0.0578124165 0.0070533296 0.1223162005 0.1380257062 0.0174552913 0.0682300434 0.0164937218 0.0176596055 0.1645338052 0.1141259059 -0.0113583551 -0.1191015053 -0.0542059415 0.0073241085 0.0014442343 0.0027242129 0.0409115487 -0.1821556021 0.1389202389 0.0273382180 -0.4117965771 0.0093097827 -0.0224387332 -0.0695260071 -0.0057507723 0.0184738381 0.1060460898 0.1503145458 -0.0484735485 0.1083477051 0.0121262313 -0.0199366542 0.0412899232 -0.0032798757 -0.0074547961 -0.0021586177 -0.0054324661 0.0039672991 -0.0022802861 -0.0187292188 -0.0168136609 -0.0141195523 -0.0028760034 0.0052560615 -0.0045981901 0.0016276728 0.0040245050 0.0023822554 0.0019040293 0.0097136315 0.0024440035 -0.0214720319 -0.0064670556 -0.0041240692 0.0066093249 0.0103628557 -0.0026089783 0.0461202164 -0.0166744387 0.0000518147 -0.0222440568 -0.0098150249 -0.0255239621 -0.0071812256 -0.0086479610 0.0016155418 0.0006866686 0.0002199584 0.0004491864 -0.0204216058 -0.0205866762 0.0009496454 0.0352232967 -0.0093045270 0.0412308525 -0.0308201726 0.0281558361 -0.0666336684 0.0195427698 0.0824745789 0.0231786743 0.1245565540 0.1025703287 0.1522435494 -0.0095085574 -0.0077114888 -0.0339327556 -0.1034518590 -0.0086255153 -0.0896918154 0.1378285479 0.0468201811 0.0206783902 -0.0571438638 0.0471613384 -0.0209113647 0.1015678550 0.1183370915 0.0688460812 -0.1751261681 -0.0866398778 0.1037726089 0.0088858825 -0.0648103897 0.0069591192 0.0679497049 0.0287505741 -0.0403100514 0.1896516670 0.0389597819 -0.0105283996 0.1584684566 -0.0329520631 0.0377776081 -0.1236337839 0.0838149510 -0.0255818623 -0.3906616304 0.0401493587 0.1706073475 0.0896782195 -0.0782289226 0.0359877507 -0.0131873269 -0.0788943218 0.0382299246 0.2580420992 -0.0489978257 -0.1123139583 -0.1942711187 0.1206627302 -0.0570952676 -0.0041909918 -0.0045367696 0.0211493061 -0.1683621654 -0.0073228760 0.1101709707 0.2646716158 0.0055871114 -0.1323049867 -0.0037309797 0.0422646236 -0.0356132177 0.1736112273 -0.0781665941 -0.2905939467 -0.0302014541 -0.0831816368 0.1943876583 0.0118430119 -0.1332083517 0.0578747241 -0.0010486035 0.0172345651 0.0041862421 0.0499369931 -0.0724525208 0.0285125389 0.0735235078 -0.1079648192 0.0270079156 0.0019930839 0.0066238383 -0.0042308437 -0.0136573918 -0.0082017771 -0.0054367457 0.0027816055 -0.0155595606 -0.0044289758 0.0107654644 0.0010926188 -0.0015307032 -0.0215249581 -0.0446208728 -0.0237102267 -0.0021576059 0.0107210453 0.0069424446 -0.0009765083 0.0130821457 0.0069428357 0.0128090199 0.0164959018 0.0076257514 0.0156680134 0.0038385053 -0.0025566496 0.0294758060 -0.0011602443 -0.0078828088 0.0271843297 0.0013753368 -0.0222033174 -0.0087181557 0.0008608630 0.0026849860 0.0017156308 -0.0000233439 0.0012599618 0.0809249734 0.0719298227 0.0043931564 -0.0071183407 -0.0280002509 0.0477476668 0.0233838840 0.0657692747 -0.1175098453 -0.1112304317 0.0457750837 -0.2101170108 0.2675278942 0.1537637637 0.2244216992 -0.0255375228 -0.0076513963 -0.0063747042 -0.0862058725 -0.0010450607 -0.0553238164 0.2704340248 0.0786237156 0.0800093774 -0.0246032992 0.0392165852 -0.0678274676 0.2969221210 0.1242034220 0.0474477196 -0.1849798985 -0.2071230089 0.1203962325 0.0138179372 -0.0135952856 0.0064342222 0.0334134238 0.0464994587 0.0312967439 -0.1231928280 -0.0705093673 -0.0114730772 0.1256065698 0.0842556035 -0.1123738538 0.0078792250 -0.0104619467 0.0394968840 0.0825058983 -0.0302245460 -0.0800943727 -0.1626963594 0.0573960930 -0.0063929345 -0.0593786194 -0.0076755766 -0.0417481357 -0.2410630670 -0.0447256374 0.0321679579 -0.0004790168 -0.1281865974 -0.0034853978 0.0121248148 0.0027179858 0.0374707922 -0.0108795186 -0.0028964453 0.0594892235 -0.1779905610 -0.0109229705 0.1387828476 0.0714493489 -0.0134777922 -0.0227137977 -0.1634689880 0.0004296282 0.1335074802 -0.0878730880 0.0431276763 -0.0771313219 0.0933285327 0.0457515268 -0.3504091453 -0.0093792959 0.0150931860 0.0061342536 -0.0013400230 -0.0106456103 -0.0508860088 -0.0593186859 -0.0572838296 -0.0609994007 0.0147387436 -0.0206982940 0.0300983410 0.0101112981 0.0108538557 0.0053684301 0.0045252597 0.0085138362 0.0051438869 0.0084754014 0.0122897950 0.0107675622 0.0137845387 0.0208422519 0.0162510274 -0.0016574993 -0.0106666836 -0.0051964621 -0.0064720193 -0.0137119212 -0.0057219213 0.0102634723 -0.0062634265 -0.0042522551 -0.0134888733 -0.0074983947 0.0036338284 -0.0515605237 0.0074207661 0.0156990668 0.0017492326 0.0043598156 0.0199324812 0.0139881970 0.0073156841 -0.0057360088 -0.0067959969 0.0000377078 -0.0021638029 -0.0614542296 -0.0547243309 -0.0037255854 -0.0296062698 -0.0212644748 0.0417432484 0.0914577179 0.0675455970 -0.0621345770 -0.1520559697 -0.0259137020 -0.2884121106 0.2519787728 0.0955413220 0.1526937817 -0.0137978371 0.0004635483 -0.0065074893 0.0437359972 0.0081776945 0.0128529155 0.2786746433 0.0537941986 0.0454468240 -0.0066749220 -0.0110679430 -0.0670305140 0.3061021100 -0.0007723087 -0.0386248950 -0.1742228683 -0.1602574796 0.0996659192 -0.0304830169 0.0386911519 -0.0503533986 -0.0775266828 -0.0084523730 0.0058152518 0.0738544715 -0.0648781936 0.0395985178 -0.2654104623 0.0592996866 -0.0348654726 0.0489880426 -0.0501181365 -0.0699086258 0.0056563961 -0.0194004969 0.0371778534 0.1745892358 -0.1108729436 -0.0359362219 0.0357070330 0.0602629014 0.0566553872 0.1369754210 0.0714899565 0.0002112048 -0.0552904988 0.0921848688 0.0144529415 0.0044463559 0.0104365964 -0.0192265784 0.2088346256 0.0072149112 -0.1176073027 0.0862483683 0.0057074849 -0.0778067241 -0.0664291154 -0.0136930317 0.0104778188 0.1257115025 0.0530523330 -0.0211618702 0.1652451280 0.0006398870 -0.0833789940 -0.1027769822 0.0316307179 0.3565737177 0.0043367557 -0.0080271044 -0.0741804759 -0.0160115844 0.0371285402 0.0658880674 0.1130459480 -0.0101662448 0.0693179110 0.0238102462 -0.0318066204 0.0928312492 -0.0179784149 -0.0132497764 -0.0071215089 0.0059293460 -0.0155971608 -0.0055841093 0.0070224381 -0.0059807945 -0.0092086386 -0.0283964926 -0.0545150784 -0.0338870056 0.0070138728 0.0141664146 0.0060160722 0.0301280679 0.0213781343 0.0089725334 0.0237506044 0.0210922233 0.0081189851 0.0120865369 0.0036340023 -0.0156356528 0.0505159645 0.0014363449 -0.0441983650 0.0277346113 0.0032881734 -0.0367764690 -0.0230835813 -0.0052538694 0.0214261496 0.0090325145 -0.0019382609 0.0028429374 0.0449397895 0.0415137025 0.0339335322 -0.0073047958 -0.0031221897 0.0004669858 0.0083374575 0.0051678192 -0.0068897096 -0.0215877470 -0.0067035826 -0.0386896988 0.0248308080 0.0140277785 0.0168279357 -0.0011988297 -0.0019968711 0.0041656463 0.0108557085 0.0058107238 -0.0020002938 0.0206687924 0.0075499904 0.0133668044 0.0040771709 0.0008452830 -0.0066193144 0.0377436703 -0.0007226411 -0.0055563041 -0.0003592576 -0.0234111358 0.0029702312 -0.0091737334 0.0234499090 -0.0012126761 -0.0034654169 -0.0085056949 0.0025903742 0.0320400225 -0.0094765450 0.0105000708 -0.0657446956 0.0156274893 -0.0060878465 -0.0126116495 0.0007471966 -0.0225814828 -0.0348792654 0.0246410844 0.0462212026 0.0341347267 -0.0536063490 -0.0081771009 0.0041723532 0.0068371127 0.0171480390 0.0885585067 0.0363606121 0.0020535888 -0.0431381791 0.0243805512 -0.0042449342 0.0020785795 -0.0023199549 0.0011543366 0.0140326124 0.0058398763 -0.0184706271 0.0781761976 0.0097932152 -0.0303917666 -0.0167173095 0.0044052222 -0.0042766639 0.0593752223 0.0010998876 -0.0535654806 0.0366823530 -0.0126840265 0.0099084793 -0.0229804518 -0.0136947683 0.0962637258 -0.0027482246 -0.0076233883 -0.0048309757 0.0497192187 0.0199146289 0.0161908624 -0.1910259834 -0.1408509771 -0.0177311467 0.0041846227 -0.0058718650 0.0073152373 0.1108460636 0.0362883767 0.0233583940 -0.1301565724 0.0708629888 0.0049174199 -0.1824099199 -0.0684525725 0.0000131428 0.1994907228 0.4328284568 0.2464040581 -0.0309685617 -0.0552287963 -0.0230732175 -0.2080428109 -0.1353003022 -0.0453545713 -0.2559386355 -0.1406167323 -0.0337126860 -0.0549540200 0.0145783720 0.1089480724 -0.0515826450 -0.0418936984 0.1762507989 -0.3230058104 -0.0439953468 0.2647728541 0.0990848358 -0.0286828181 -0.1371597732 -0.0374884129 0.0204080125 -0.0100211479 -0.1324638643 -0.1581378694 -0.2511246036 0.0100028595 -0.0011154020 0.0066304789 -0.0127775826 0.0023436414 -0.0074924332 0.0140988437 0.0171472995 0.0233961253 0.0066037955 0.0102111548 0.0180476200 -0.0070206820 0.0031091522 -0.0067404734 -0.0530424806 -0.0115276376 -0.0092384328 0.0132478915 -0.0030093412 -0.0136922294 -0.0039320279 0.0055613675 0.0024971408 0.0012142688 0.0007857916 -0.0048974211 -0.0213545496 0.0216155643 0.0113632627 0.0233922056 -0.0288188195 -0.0107150538 -0.0077946003 0.0122262298 -0.0112223891 -0.0031587171 0.0098519214 -0.0092454252 0.0468949938 -0.0251345078 0.0229497261 0.0153314383 -0.0024767851 0.0159829611 0.0037039944 -0.0407725326 -0.0433212731 0.0073069997 0.0585422093 0.0109963048 0.0040630069 -0.0031685333 -0.0097645741 -0.0846802900 -0.0477423904 -0.0151956328 0.0540155041 0.0035738049 0.0098772900 -0.0023708439 0.0057022529 -0.0096945112 0.0086998512 -0.0080539227 0.0075169810 -0.0805171311 -0.0131791491 0.0139416769 0.0090383724 -0.0060897143 0.0109421836 -0.0538509586 0.0032402092 0.0599133164 -0.0273255341 0.0127292812 -0.0108665701 0.0120094041 0.0165789691 -0.0611068131 -0.0025913876 0.0042314639 -0.0131522578 -0.0651714472 -0.0267589669 0.0113439412 0.1365209899 0.1328659924 0.0430553902 -0.0016002018 -0.0024154646 0.0032070430 0.0179567979 -0.0536699050 -0.0313777379 -0.1652604695 -0.0572851537 -0.0484720920 -0.1981950011 -0.1348924914 -0.0560546562 0.0680147485 0.1843231764 0.0980941944 0.0121698636 0.0453052129 0.0234954572 -0.0836144839 -0.0103552721 0.0103477829 -0.1621946185 -0.0177985595 0.0219210269 0.0214715481 0.0346732528 0.0438152185 0.2673240508 -0.0205426509 -0.0978983127 -0.1825172828 -0.0244864384 0.1100762613 -0.0562465257 -0.0591318217 -0.0286780871 0.0195464780 0.0203155047 0.0034554532 0.5917487366 0.4786022913 -0.0585861284 0.0765956479 -0.0045389422 0.0192680047 -0.1456425894 -0.0354791807 -0.0454362622 0.1632179533 0.1630224616 0.2984533448 -0.0529603418 0.0763933522 0.1047000826 -0.0694786967 0.0162809873 -0.0148497773 -0.4337056699 -0.0996770832 -0.0351820394 -0.0890913031 -0.0383279022 -0.0735011882 -0.0101541381 0.0659536278 0.0335335147 -0.0003868214 0.0295241366 -0.0052228567 0.0259155829 0.0602349457 0.0029028056 0.0249457240 -0.0608199730 0.0104660905 0.0053631990 0.0838328751 -0.0272207325 0.0202832260 0.0036264134 -0.0279002914 -0.0799693280 0.1407655861 -0.1097745312 -0.0366156642 -0.0782058663 -0.0266395584 -0.2403675570 -0.2334016102 -0.1075652653 -0.0610214751 -0.0345337211 -0.0359718691 0.0112343482 0.0643504595 0.0264804467 -0.1614502467 -0.0432571880 -0.0208611031 0.0754654313 0.0890799668 0.0508963481 0.0337759508 0.0479285404 -0.0356140194 0.3675618686 -0.0166612511 -0.0960034768 -0.1561279332 -0.0398931635 -0.0368257052 -0.0312555908 -0.0395979995 0.0421433944 -0.0567433120 0.0734533330 0.1976846309 0.0894953903 0.0455980897 -0.1425671830 -0.0609259159 0.1120678474 0.1465141615 -0.0028719560 0.0071911807 0.0016637649 0.0317284764 -0.0499989744 0.0368026370 0.0454164093 -0.1095228688 0.0335721162 0.0264005384 -0.0488822597 -0.0536980905 0.0003727286 0.0086781953 0.0049298597 0.0184425880 0.0094566522 0.0067383571 0.0224467355 0.0171832291 0.0077926250 -0.0040523246 -0.0133953099 -0.0065846245 -0.0041383998 -0.0079555234 -0.0033128794 -0.0018554082 -0.0018326530 -0.0029406317 0.0098552344 -0.0034586363 -0.0051093859 -0.0011138434 -0.0018716899 -0.0009390384 -0.0357148180 -0.0018436191 0.0289044823 0.0155132085 -0.0006320140 -0.0158151802 0.0110105473 0.0073398404 -0.0036385390 -0.0046186250 -0.0021810788 -0.0005937347 -0.0770184191 -0.0639267865 -0.0068430964 0.0514770021 -0.0029443655 0.0134475325 -0.0936428945 -0.0248147621 -0.0249610591 0.1076207553 0.1055066425 0.1953297204 -0.0376932512 0.0478616669 0.0673325944 -0.0571244795 0.0112962743 -0.0037115662 -0.3107717526 -0.0730560613 -0.0121519353 -0.0899245083 -0.0364936603 -0.0541512545 0.0101360952 0.0268037347 0.0075824879 0.0211823328 0.0068885951 -0.0138152523 0.0507512747 0.0070848758 -0.0201723487 0.0120746567 -0.0278615814 0.0144270083 -0.0707312783 0.0178604868 0.0928084702 -0.2886513513 -0.1594602060 0.0322272286 0.0181985527 0.0966606035 -0.1469942328 0.1043097282 0.0168496189 -0.0314468939 0.2949595854 0.1890818314 0.0943883821 -0.0408862427 -0.1756822855 -0.0601256281 -0.0108275060 -0.0130929243 0.0013189447 0.1909699607 0.1136105259 0.0588906626 -0.3179271555 -0.2105754124 -0.1057980707 -0.0253508838 -0.0180824974 0.0946748046 -0.0425628879 0.0220080142 0.0368784421 0.1688640211 0.0280782933 0.0370570509 -0.0147907049 0.0069552885 -0.0947865612 0.2134564267 0.0088945598 -0.2304809813 0.1653637558 -0.0253938448 -0.0980829463 -0.0295873664 -0.0322050472 0.1685509828 -0.0020013516 0.0121250308 0.0334790780 -0.0243223289 0.0171944723 -0.0839314121 -0.0200924995 -0.0227821028 -0.0883368269 0.0187159701 -0.0317354508 -0.0335903342 -0.0026952401 -0.0086372816 -0.0042302118 -0.0116707921 -0.0073067843 -0.0052248452 -0.0162899107 -0.0150350264 -0.0092239484 -0.0011592653 0.0024881342 -0.0012558685 0.0061241322 0.0084664087 0.0028148144 0.0129133076 0.0058317156 0.0037861394 -0.0032192832 0.0064524997 0.0062101932 0.0012472917 0.0003008477 0.0012699020 0.0187524259 0.0050205575 -0.0201674586 -0.0142349641 -0.0002324664 0.0159206104 -0.0082016687 -0.0038214893 0.0027129326 0.0043504350 0.0016689537 0.0007711994 0.0623945458 0.0497843744 0.0097004425 0.0614315504 -0.0088118917 0.0328332430 -0.0901742815 -0.0178101828 -0.0358858284 0.1038882321 0.1269132072 0.1838083288 0.0180024640 0.0873567155 0.1319606094 -0.0879029087 0.0196039397 -0.0136679646 -0.4033191551 -0.1043087902 0.0061497310 -0.0543723455 -0.0482687577 -0.0868206126 0.0232466025 0.0126702987 -0.0000246134 0.1415514251 -0.0824329553 -0.0996662816 0.0394194904 -0.0011011597 -0.0138280861 -0.0232715573 0.0472995449 -0.0319701957 -0.0533328766 -0.0442498388 -0.0444687003 0.0835953188 0.1290452176 -0.0027119962 -0.2212074523 -0.0606736226 0.1107362325 0.0405376665 0.0455091351 0.0317840315 0.1582588103 0.1026681453 0.0176549258 0.2237825599 0.2031404820 0.0733579367 0.0153476128 -0.0310150667 -0.0165235168 0.0487550361 -0.0131840776 -0.0125631767 0.1797514086 0.0786506608 0.0393440702 -0.0385944098 -0.0412165287 -0.0301110233 -0.3613801767 0.0018161493 0.0607416017 -0.0201411804 0.0211249678 0.0427456943 0.0424787026 0.0318994605 0.0183525782 -0.0962994642 -0.0731563453 -0.0287208534 -0.1902763979 -0.0176475766 0.1781033851 0.0807218559 -0.0840548436 -0.2643839668 0.0065400081 -0.0211035064 -0.0613902432 -0.0005458983 0.0546904371 0.0925032505 -0.0483152064 0.1555841886 0.1049190118 0.0378373238 -0.0624931320 0.0089247788 -0.0006058529 0.0060482905 0.0044291202 0.0172300069 0.0108480935 0.0062210218 0.0163190444 0.0114996922 0.0035036387 -0.0047955630 -0.0108571777 -0.0076280911 -0.0021623383 -0.0062464847 -0.0044991161 0.0054346100 -0.0034871484 -0.0032317380 -0.0001497366 -0.0048609564 -0.0032098594 -0.0005122806 -0.0015834910 -0.0021825088 -0.0119305763 -0.0021032992 0.0104007195 0.0033366306 -0.0012789782 -0.0054452251 0.0061843073 0.0014883108 0.0014482666 -0.0014066736 -0.0019818458 -0.0010229094 -0.0888900107 -0.0702416343 -0.0079546375 -0.0010064652 0.0008181829 0.0019877056 0.0051266755 0.0033384991 0.0027722642 -0.0032704804 -0.0021219663 -0.0051757235 0.0055998829 -0.0021711852 -0.0013364862 0.0008051287 -0.0013018741 -0.0019705350 0.0011143784 0.0019325012 -0.0071406259 -0.0000551692 -0.0001824176 -0.0010193491 0.0007502582 0.0001561374 0.0003563546 -0.0041462666 0.0015660064 0.0008113969 -0.0049630845 0.0085749573 0.0027493369 0.0019189029 -0.0111249153 -0.0012376869 -0.0103421749 0.0025125140 0.0010391656 -0.0108581840 -0.0035086608 0.0008586023 0.0062826093 -0.0040653619 0.0018450946 0.0084499744 0.0021745487 0.0003723114 0.0110558175 0.0029032759 -0.0004027407 0.0074218498 0.0025323963 -0.0000026348 0.0028811436 -0.0018867125 -0.0011080305 -0.0018637438 -0.0045041492 -0.0013897830 -0.0055590057 -0.0081637447 -0.0040773222 -0.0032240287 0.0008195070 0.0041384119 -0.0023820397 -0.0004949000 0.0059584019 -0.0082876898 -0.0015959740 0.0042162490 0.0001157521 -0.0009107452 -0.0041074402 0.0048916476 0.0013896499 -0.0043053305 0.0065212156 0.0006324060 -0.0090174653 -0.0005358756 0.0010047125 0.0019729044 0.0002499280 0.0019681288 -0.0012471383 -0.0124496008 -0.0031808439 0.0019497579 0.0221065176 0.0297349571 0.0084333998 -0.0014856266 0.0025993038 0.0005245042 0.0507353267 0.0898313949 -0.0141367347 -0.0929232522 -0.1265938325 -0.0271024453 0.1123171615 0.1918168644 0.2152302519 0.1023641968 0.0958180949 0.2062696953 -0.1201129478 -0.0832451953 0.0517954887 -0.5992117867 -0.0398363278 -0.0212382435 -0.0297839775 -0.1279718494 -0.1502106743 0.0577249814 0.0389901308 -0.0633242779 0.1585792107 -0.0443465902 -0.0449342086 0.3273673296 -0.0041125234 -0.4743764755 -0.0086989226 -0.0166956026 0.0016882563 0.0211419183 -0.0168721526 0.0349625805 0.0635743194 0.0218115407 0.0257844638 -0.0317659904 -0.0008888100 -0.0311239962 0.0083756114 0.0031146615 -0.0157936695 -0.0407855629 -0.0393508558 -0.0653675943 -0.0295719108 -0.0368233123 -0.0687552678 0.0680552458 0.0014639291 0.0101054585 0.2046312657 0.0567161390 0.0010146618 0.1317591238 0.0503064849 0.0607031657 -0.0551982161 0.0369919555 0.0363022551 -0.1294480289 0.0903507437 0.0943006444 -0.0942912246 0.0601044681 0.0593401508 0.0263638342 -0.0841879514 0.0161560909 -0.1366577664 0.0708915172 -0.0257509801 -0.1025492428 0.0517139852 -0.0192961888 -0.3224881244 0.1601706418 -0.1160459068 0.0846917055 0.0145829638 -0.0287405107 -0.0768750441 -0.0743267626 -0.0232578097 0.2979409858 0.1013497564 0.0219512331 0.1006500158 0.0013865160 0.0216439890 0.0990216362 -0.0263091671 -0.0201493238 0.1765820705 0.0989312365 0.0416452355 -0.1119479653 0.0102850902 0.0382041892 -0.2532685688 -0.0140679792 0.1526157039 -0.3477432481 -0.0274698057 0.1354824062 0.0385486589 -0.0051852145 -0.0563047939 -0.0160844000 -0.0128401222 -0.0380949214 -0.0119698881 0.0195985951 -0.0868249371 0.0481759587 -0.0047402218 -0.1713385833 -0.0040386256 0.0170222399 0.0210768165 0.0514221261 -0.0823413117 0.0346982916 0.1917477065 -0.3637990030 0.0140525937 -0.0068118967 0.0034056259 -0.0293751969 -0.0029801530 0.0057914748 0.0109610497 0.0352730989 0.0324868719 0.0147858273 0.0182977891 0.0052920765 -0.0116800988 -0.0136041942 -0.0189517593 -0.0280618277 -0.0022769601 -0.0072014698 -0.0121968108 0.0328342537 -0.0085351585 -0.0071197721 -0.0086775301 -0.0029546758 0.0052990281 0.0042906777 0.0041112182 0.0083327387 -0.0333032334 -0.0054893412 0.0545678982 -0.0154284976 -0.0066750959 0.0012224646 0.0043537458 0.0021511782 -0.0092256477 -0.0006864675 -0.0014986472 0.0011306507 -0.0125394181 -0.0054312199 -0.0269569795 -0.0074722388 -0.0026748078 -0.0206290919 -0.0247583870 -0.0088175793 -0.0194235178 0.0017994437 0.0017133744 0.0065174096 -0.0359708064 -0.0114724030 -0.0294422184 0.0250065593 0.0054927313 0.0141852800 0.0541786192 0.0173689435 0.0123743225 0.0565140021 0.0190074908 0.0280954561 -0.0263497682 0.0159613353 0.0115234822 -0.0456881203 0.0433753410 0.0436463465 -0.0274298966 -0.0043505588 0.0169237160 0.0056077098 -0.0273709805 0.0103461941 -0.0793937738 0.0446710344 0.0334511272 -0.0427428361 -0.0772355742 0.0359905673 -0.1797389367 0.1411773376 -0.1219654909 0.0757004591 0.0445011413 -0.0277117775 0.1572930467 0.1605157739 0.0972799024 0.2924673641 0.1066152995 0.0271693313 -0.1358532754 -0.0360652335 0.0078660431 -0.1479778183 -0.1168851463 -0.1152268769 -0.1825929849 0.0283140481 -0.0205706835 0.1093395316 -0.0459982229 -0.1315306799 0.1003421212 0.0044944131 -0.2171432760 0.3985027427 0.0371412658 -0.2016722192 0.0016626452 0.0271901658 0.1274788007 -0.1608405885 -0.0462512527 0.1402161369 -0.2042959484 -0.0189509620 0.2793621651 0.0283990381 -0.0599913734 -0.0854150136 -0.0012750623 0.0124663419 0.0375759700 0.0097842778 -0.0263391610 -0.0378947338 0.1574437935 -0.3208634047 -0.0649832918 0.0036333734 -0.0064254227 -0.0168190630 0.0014827603 -0.0031790786 -0.0050984488 -0.0169757987 -0.0150442050 -0.0069799409 -0.0095996205 -0.0039985742 0.0033686574 0.0060135577 0.0078948379 0.0108884805 0.0012159504 0.0035593271 0.0067595539 -0.0111617423 0.0084804325 0.0047595493 0.0113570487 0.0040112510 -0.0017154795 -0.0028757212 -0.0007226989 -0.0020999706 -0.0004998176 0.0022072009 -0.0094177102 0.0061682580 0.0033533504 -0.0021513207 0.0016788963 0.0026610415 -0.0012600570 0.0011980787 -0.0013964827 0.0021228799 0.0070367875 0.0043981155 0.0004058847 0.0014223212 -0.0016881032 -0.0082101012 -0.0193786080 -0.0088552837 -0.0105309171 0.0113859169 0.0113716524 0.0217311640 -0.0199485612 -0.0015717946 -0.0075869592 0.0017450776 0.0030875222 0.0087115635 0.0009451039 0.0001440538 0.0127849113 0.0051268345 0.0019973693 0.0079912581 -0.0059871855 0.0013809612 -0.0010809488 0.0055373536 0.0036480986 0.0044679391 0.0096379233 -0.0274725501 -0.0058712175 -0.0177896117 0.0171387614 0.0049149456 0.0116389533 0.0001267478 -0.0000369212 0.0302989188 -0.0092730634 0.0032760223 -0.0547688391 0.0294442564 -0.0210573371 -0.0107689491 -0.0187282876 -0.0075301443 -0.0207847538 -0.0256107909 -0.0097733427 -0.0046785883 -0.0171496297 -0.0060565789 0.0141281773 0.0176049321 0.0110487840 0.0590380215 0.0467932354 0.0239802250 0.0570538895 0.0476190368 0.0261574263 -0.0188806856 -0.0070008200 0.0012359647 -0.0663401384 0.0026915040 0.0099164376 -0.0333733946 0.0069561274 0.0287507944 0.0078817782 0.0057894011 -0.0052937240 -0.0039948593 -0.0110734895 -0.0196857273 -0.0185240081 -0.0010284496 0.0142835156 0.0125575325 -0.0110449215 -0.0356333013 0.0021083283 -0.0002885924 0.0138531625 0.0196892564 0.0009408302 -0.0137687216 0.0063121772 -0.1059168845 -0.0289591213 0.0059604925 -0.0053981111 -0.0031733421 0.0202970552 -0.0876543329 -0.1315248215 -0.3947197400 -0.3821226993 -0.1744946036 -0.2230632275 -0.0973165444 0.0876193668 0.1255499699 0.1494763407 0.2589966101 0.0753824566 0.0917542873 0.1583639869 -0.1795187686 0.2010024327 0.1204619260 0.3350018126 0.1117386466 -0.0389278830 -0.1080629693 -0.0273513513 -0.0538924330 0.0058066700 0.0460322132 -0.2634470290 0.0514688547 0.0662907723 0.0135878350 0.0538299633 0.0413110483 0.0042357317 -0.0094540890 -0.0119812234 0.0092957426 -0.1848014220 -0.1834855068 0.0618554573 0.0103421776 0.0581767815 0.1342730289 0.2999992743 0.0925547724 0.2482811121 -0.0673850612 -0.1557027526 -0.1450735643 0.2114796606 -0.0529778853 0.0233413568 -0.0995608098 -0.1012958290 -0.1048711001 -0.0597808897 -0.0206814789 -0.2192375946 -0.4977778237 -0.0759510432 -0.0731951911 0.1388205827 -0.0036440522 -0.0417949727 0.0454263443 -0.0084081283 -0.0616853087 0.1245340047 0.0820957647 -0.0501542578 -0.0134387974 0.0228626144 0.0116913219 -0.0262302988 -0.0125355557 0.0295822158 0.1273634350 -0.1301267077 0.0608273129 0.0200268219 -0.0084608350 -0.0134796712 0.0074441221 0.0240836680 -0.0347451291 -0.1585061718 -0.0330448114 0.0361972215 0.1899909864 0.0091597375 0.0125622924 0.0260292812 -0.0176904673 0.0260227137 -0.0085959368 -0.0930419176 -0.0689029837 0.0386809709 0.0915450045 0.0188920441 -0.0231336142 0.0214774619 -0.0169530106 0.0003053945 -0.0153509657 0.0328839993 -0.1352242905 -0.0253258435 -0.0096243723 0.0142152848 -0.0113852646 0.0073705464 -0.0549709915 0.0039626771 0.0662497640 -0.0264306425 0.0170798442 -0.0290538238 0.0159009588 0.0200137501 -0.0712263239 -0.0004687803 0.0058859004 0.0459688304 0.0027272675 -0.0027098662 -0.0665462414 0.1475149240 -0.3367218364 -0.1031766450 -0.0419403473 0.0499240849 0.0168980767 -0.0005558876 -0.0001827087 -0.0005346454 -0.0003078899 -0.0010125308 -0.0005031049 0.0007744961 0.0010232384 0.0014394559 -0.0005650617 -0.0011973133 -0.0004032284 0.0005550351 0.0008938448 0.0000355813 0.0068629096 -0.0035336064 0.0008468627 -0.0062396074 -0.0016440874 -0.0005535930 0.0000588074 -0.0015892532 0.0000510998 0.0035620251 0.0013378254 -0.0070695864 -0.0019192337 0.0015449584 0.0104834826 -0.0020862388 0.0014265250 0.0004906892 0.0008552508 0.0000887224 0.0000047406 0.0258070428 0.0189961162 0.0094396197 0.0005578021 -0.0065591277 -0.0095013476 -0.0275402179 -0.0076762504 -0.0248093472 0.0063951605 0.0181087668 0.0133689545 -0.0118955372 0.0094504025 0.0065027710 0.0048184900 0.0113619690 0.0070785043 -0.0044349846 -0.0028512678 0.0251882842 0.0495752194 0.0044709950 -0.0007703448 -0.0106300717 -0.0044872041 0.0045090796 0.0101052033 -0.0204277249 -0.0112109373 -0.0082973810 -0.0070390388 0.0022975996 -0.0075885447 0.0172401785 -0.0069319503 -0.0731886590 -0.0476269574 -0.0132787810 -0.0527386603 0.0935860952 -0.0000915752 0.1363935846 -0.1644765174 0.1300706657 0.0267269757 0.1552465654 0.0284323906 -0.1171110007 0.1028626658 0.0824592798 0.2263655494 0.1725343654 0.0791906033 0.0156544425 -0.1356355216 -0.0556261612 -0.3013172459 -0.3717645639 -0.1968594927 -0.1647698059 -0.1968211463 -0.1271122906 0.0376211726 0.0993985365 0.0377783925 0.3189099572 -0.0391564423 0.1244829096 -0.1717943305 -0.0998168834 -0.0969057727 -0.0330910184 -0.0663697766 -0.0203041254 0.0337440176 0.0983923354 0.1422837726 0.1787831096 0.0361968193 -0.2638646221 -0.0724134043 0.1218601331 0.1609509103 0.0030344992 -0.0055675938 -0.0144465096 0.0297467441 0.0141772655 0.0368482217 -0.0356768790 0.0385538172 0.0385213734 0.0052738305 -0.0063514145 0.0030206750 -0.0019898374 -0.0064787911 -0.0153838011 -0.0344258890 -0.0496360748 -0.0191722509 -0.0078359001 0.0015486961 0.0158788730 0.0064242871 -0.0048112956 0.0222621591 0.0168601483 0.0024337688 0.0192331565 -0.0036765485 0.0359714227 0.0158253676 0.0797855761 0.0134320367 -0.0120519014 -0.0232254007 0.0046376746 -0.0018656154 -0.0313729127 -0.0008536944 0.0128907782 -0.0147923578 0.0047362017 -0.0106140185 0.0152725207 0.0044144091 -0.0087406526 -0.0021147743 -0.0027092768 0.0033991170 -0.0554507532 -0.0513580384 -0.0080802577 0.0300129841 -0.0354697134 -0.0812759711 -0.2470033813 -0.0890082486 -0.1479691616 0.1139751909 0.1436980845 0.2054165047 -0.1861546937 0.0505868567 0.0082453538 -0.0028753963 0.0571882160 0.0945031413 -0.1194750495 -0.0231526975 0.1574856177 0.1122351585 -0.0118489266 0.0218967871 -0.0221096795 -0.0662402678 -0.0670568129 0.1275881831 -0.0347543939 -0.0194539448 0.0758400835 -0.2708285429 -0.0832621432 -0.0447490302 0.0793937640 -0.0074690606 0.0085463377 -0.0488372267 0.0561698851 0.2732896396 -0.2435304007 0.1111422138 0.1199543828 -0.0673625590 0.0198705153 -0.0209311209 0.0096941478 -0.0487828118 -0.2200227590 -0.0570985192 0.0439693669 0.1685730827 -0.0503823804 0.0019378076 0.0434096606 -0.0079755662 0.0445331558 0.0437724411 -0.0729269859 -0.0593884410 0.0783896521 0.1526807219 0.0417232766 -0.0404067422 0.0264018301 -0.0186286774 -0.0220317467 -0.0173641209 0.0464892751 -0.1865260207 -0.0274621628 0.0007826140 0.0209503041 -0.0125392986 0.0043962188 -0.0646391372 0.0012931105 0.0703328311 -0.0352674891 0.0213946173 -0.0372343683 0.0234235137 0.0252342553 -0.0940310280 0.0046161446 0.0041177835 0.0554456844 -0.0219978126 0.0440804843 -0.1119031473 0.1459783857 -0.3255831336 -0.1563188710 0.0182598773 0.0174069955 0.0358410354 0.0108776036 0.0011359164 0.0170234386 0.0200287394 0.0653002936 0.0191827152 -0.0224073854 -0.0238011566 -0.0273575938 0.0083866773 0.0434614742 -0.0103267152 -0.0316982315 0.0101286414 -0.0218185838 -0.0127410097 -0.0500292198 -0.0180914141 -0.1430421164 -0.0119381251 0.0267511669 0.0353664159 -0.0252308799 -0.0075101573 0.0657821020 0.0143067834 -0.0874917700 0.0538393082 0.0072374447 0.0581525803 -0.0161910561 0.0043929456 0.0251094145 0.0032789264 0.0023626699 -0.0068781694 0.0298795170 0.0426564977 0.0290084453 -0.0072507141 0.0089975763 0.0153671643 0.0583635205 0.0159582828 0.0366370604 -0.0259279393 -0.0353490427 -0.0476833478 0.0333003707 -0.0065926503 -0.0002325823 0.0020606959 -0.0143638287 -0.0197667189 0.0427377900 0.0094474934 -0.0346825712 -0.0181961534 0.0073834671 0.0031510024 -0.0005167665 0.0236401997 0.0208810475 -0.0254793093 0.0102318864 0.0055321426 -0.0228645067 0.0602464549 0.0259989596 -0.0082147506 -0.0070074847 0.0011463402 -0.0022025958 0.0063632903 -0.0215130910 -0.0469602630 0.0851987279 -0.0284629802 -0.0555567407 0.0181098124 -0.0059416227 0.0013401086 0.0090408988 0.0208249408 0.0495659467 0.0210997740 -0.0100706212 -0.0290306379 0.0408096742 0.0119765765 -0.0075277973 -0.0080430025 -0.0212191202 -0.0395256343 -0.0057103888 0.0060033377 -0.0154500940 -0.0585201602 -0.0191167559 0.0135581501 0.0013313160 0.0138694815 0.0235008814 0.0022862461 0.0069069039 0.0290712876 -0.0009538311 0.0011984665 -0.0101962112 -0.0022129961 -0.0071467040 0.0292137899 0.0094223460 -0.0158021498 0.0326628953 -0.0037838257 -0.0177392359 -0.0148568214 0.0028907778 0.0453564466 0.0027715872 -0.0001645382 -0.0020015220 0.0166235776 -0.0116542543 0.0243783084 0.0065670344 0.0139345143 0.0295272495 0.0020439400 -0.0149536133 -0.0134431479 0.0633656088 -0.0481088032 0.0252488845 -0.0849952518 0.1608295300 0.0161083415 -0.2362716898 -0.1927458965 -0.1202636042 0.0927564771 0.2734945640 0.0415797803 -0.1135169823 0.1102715200 -0.0325467654 -0.0518173216 -0.1463626771 -0.0181515814 -0.4801615071 0.0438431665 0.1399463921 0.1163848108 -0.1412289183 -0.0487947422 0.1086020854 0.0905571854 -0.3535093183 0.2761491422 0.0356310528 0.2384191520 -0.0123463523 0.0753744788 0.0939746719 -0.0045802853 -0.0092216434 -0.0325960982 -0.2530562064 -0.0936425712 0.0553405702 0.0315365507 0.0246232017 -0.0392663715 -0.0881964950 -0.0566362719 0.0473981213 0.1058216574 0.0001764663 0.1612444613 -0.1819750564 -0.0587422147 -0.1154035215 -0.0331652913 -0.0468483443 0.0819824774 -0.0195304471 0.0247010706 -0.0342672483 -0.2404890633 -0.0248611364 0.1110163700 0.0346235029 -0.0164883079 -0.1362847811 0.1733503301 0.1348121869 0.0433781694 0.0814185434 -0.3204395612 -0.0798938299 -0.0215995736 0.0319797139 -0.0007130494 0.0010599209 0.0400356905 -0.1021126628 -0.0969571341 0.2628945023 -0.1164133966 -0.1672885989 0.0385378380 0.0077473223 -0.0066238527 -0.0157660256 0.0752541975 0.1517197047 -0.0093418139 -0.0881296323 -0.0890843313 0.1721101748 0.0446582961 -0.0271011257 0.0179165517 -0.0784961324 -0.1308710024 0.0713692195 0.0816607910 0.0599747063 -0.1577547901 -0.0229068395 0.0439283444 -0.0296004578 0.0558854255 -0.0110890366 0.0231571852 -0.0044400144 0.1311184403 0.0257413387 0.0755540284 -0.0369971314 0.0146843368 -0.0300318591 0.1257273463 0.0104926117 -0.1300329337 0.0951649346 -0.0298590125 0.0062847422 -0.0428800607 -0.0357554975 0.1443783966 0.0014596129 0.0005966998 0.0057095321 0.0258636644 -0.0768886078 0.0556531915 0.2410584034 -0.4107311840 0.0253640031 -0.0167424898 0.0606808815 0.0738119240 -0.0032860363 0.0028269756 -0.0008063777 0.0051676447 -0.0058304742 -0.0001907413 0.0120423644 0.0099599690 0.0052913892 -0.0049695388 -0.0124248564 -0.0032031707 0.0041309849 -0.0040800278 0.0004660376 0.0012710187 0.0054992573 -0.0001413053 0.0024853307 -0.0072997104 -0.0068928353 -0.0001494642 0.0071300945 0.0017266457 0.0013655616 -0.0076784301 0.0194092197 -0.0070913123 -0.0007507596 -0.0130035471 -0.0047638232 -0.0059189259 -0.0027332912 -0.0000835248 0.0013402844 0.0003804144 0.0478267471 0.0363381977 -0.0039801504 0.0192346361 0.0543752774 -0.0415146859 -0.0287473001 -0.0417141791 0.1203765580 0.0962359350 -0.0674398720 0.1397353942 -0.2126158117 -0.1244886635 -0.2126926567 -0.0069456310 -0.0860337301 0.0841722384 0.0281584395 0.0562461644 -0.1344540779 -0.2363161591 0.0151782361 0.1976244463 0.0099370322 0.0609574249 -0.1156754976 0.1000121652 0.2805683280 0.1387739294 -0.0422381660 -0.2221298994 0.0106102779 0.0503845375 -0.0995678435 0.0156057251 -0.0188299782 0.0007385133 0.0570653455 -0.1261825146 -0.0727782375 0.0283631066 0.0475402620 0.0271363955 -0.0415884916 0.0256374601 0.0183960850 -0.0536828111 -0.0751188373 0.0239394519 0.0651833829 0.0192551209 -0.1405587374 -0.0468369814 0.0138359938 -0.0168953454 0.0595970475 0.1193917987 -0.0452870556 -0.0617198152 -0.1041293190 0.0806898230 -0.0007042135 -0.0323522272 0.0220411088 -0.0475797806 0.0169701986 -0.0178572314 -0.0068261292 -0.0707306913 -0.0186660489 -0.0787523494 0.0305811577 -0.0120404474 0.0265781320 -0.1033710771 -0.0096727256 0.1077857437 -0.0809501106 0.0237732539 -0.0011369456 0.0347263690 0.0303182950 -0.1128661903 -0.0093844262 0.0084171007 -0.0693823255 0.0124386211 0.0023561547 0.0213426703 -0.2699234820 0.4975235449 0.0745815070 -0.0124477616 0.0165984643 0.0539260403 0.0056795214 -0.0074849311 -0.0013160145 -0.0178105776 0.0039084156 -0.0031991255 -0.0257058270 -0.0204500443 -0.0094625956 0.0097808765 0.0229111974 0.0058316150 -0.0057395606 0.0126741394 0.0020942278 0.0058219602 -0.0017391526 0.0043431177 -0.0095593856 0.0158280152 0.0132333415 0.0032951992 -0.0116773988 -0.0023341902 -0.0358023983 0.0108416107 0.0026040099 0.0255244696 -0.0018574164 -0.0008919943 0.0062965532 0.0116552630 0.0010650173 0.0000464203 -0.0035741245 -0.0003380281 -0.0693291870 -0.0431516156 -0.0117519876 -0.0118660363 0.0994948792 -0.0229406978 0.1190128562 -0.0006179112 0.2505961113 0.0489774574 -0.1989729983 0.0472493998 -0.1558789177 -0.1922738562 -0.3055234164 0.0227273255 -0.1310528059 0.0388375558 0.1086755804 0.0846373800 -0.2725391011 -0.0276568773 0.1129412814 0.2961496257 -0.0718356672 0.2206504254 0.0535590437 0.0604529522 0.1977306642 0.0605092962 -0.1772536682 -0.0187675844 0.1781242467 -0.0642399433 0.1266416656 -0.0414046203 0.0223762136 -0.0334038356 -0.0047581788 0.2527482554 -0.0935644470 0.0492283837 0.0562598550 -0.0754031111 0.0604894979 -0.0343176748 -0.0103085807 0.0203433924 0.0362050623 0.0095553397 -0.0103778437 0.0182300114 0.0586418595 0.0297150110 0.0029007826 0.0027698843 -0.0233949243 -0.0521960098 0.0077328609 0.0242510434 0.0841872180 -0.0008993051 0.0115761974 0.0102850210 -0.0021495017 0.0243594424 -0.0045639795 0.0050320106 0.0220437254 0.0030399916 0.0030440990 0.0371694636 -0.0142152084 0.0011521896 -0.0146729537 0.0471329639 0.0090570727 -0.0413984210 0.0441478744 -0.0072409949 -0.0181166627 -0.0177519149 -0.0051573863 0.0535835903 0.0085663884 -0.0120654930 0.0281057411 -0.0293419364 0.0679469555 -0.0473649089 0.1005504485 -0.2208234358 -0.0842767797 0.0848556321 -0.2220756513 -0.0393510116 -0.0146443999 0.0165496258 0.0001322632 0.0389175034 -0.0148282666 0.0045247101 0.0591435362 0.0496475742 0.0272514627 -0.0221183254 -0.0528354663 -0.0069419873 0.0164593028 -0.0252323020 -0.0028348716 -0.0194032001 -0.0044514916 -0.0082191159 -0.0095414658 -0.0485623847 -0.0373554445 -0.0044313566 0.0155168743 0.0008364267 0.1127767498 -0.0112985409 -0.0670457915 -0.0770280216 -0.0009767222 0.0379744155 -0.0130965248 -0.0175868601 0.0087330301 -0.0015647966 0.0081835950 -0.0052650798 0.0969017676 0.0537393214 0.0492448154 -0.0002616505 -0.0008107802 -0.0017522681 -0.0046095544 0.0017345480 -0.0068937937 -0.0009288236 0.0052121778 0.0011067064 -0.0087267886 -0.0049006985 -0.0067145203 0.0059048169 0.0016675777 0.0039788725 -0.0163011729 -0.0010608325 -0.0031335127 -0.0126923996 -0.0028713648 0.0001388290 0.0041017264 -0.0032649709 -0.0121410663 -0.0376845044 0.0556877804 0.0483815052 -0.0237894015 0.0201469528 0.0069165556 0.0428394259 -0.0834430946 0.0215767728 -0.0136381131 -0.0039880714 0.0593873743 0.3960578439 -0.2872769070 0.1469060953 -0.1586421794 0.0850521943 -0.0454798132 -0.0139583974 -0.0039646399 0.0087560810 -0.1504689927 -0.1045249980 -0.0398918373 0.3215902021 0.2537781318 0.0872293420 -0.0219690681 0.0297008921 -0.0682933193 -0.3468478469 -0.0751962838 -0.0012925144 0.2913321919 0.0319029741 0.0624249914 0.0592814623 -0.0564013954 0.0619248216 -0.0481823441 0.0309141573 -0.0301470606 0.0188908188 0.0324884492 0.2079945793 -0.0495269720 0.0393134974 -0.0333708175 0.1521712361 0.0013629941 -0.1961877588 0.1102171425 -0.0491885950 0.0734690472 -0.0420390443 -0.1021105686 0.1320827937 -0.0075613897 0.0101198515 -0.0235636404 -0.0160262531 0.0374433458 -0.0458499646 -0.1235574860 0.2216169376 -0.0253045306 -0.0107086518 0.0161732833 0.0010546466 0.0027867065 -0.0030748906 0.0003668608 -0.0065332382 0.0034448956 -0.0003806386 -0.0098459542 -0.0091936552 -0.0055005140 0.0037840623 0.0090302590 -0.0002789154 -0.0024412679 0.0032028355 0.0000534794 0.0089770686 0.0014191160 0.0016549753 0.0167564355 0.0130592297 0.0074726319 -0.0045930978 -0.0025719801 0.0021473084 -0.0215081737 0.0018287048 0.0104534678 0.0143056269 0.0017898812 -0.0065096288 0.0045959994 0.0065044432 -0.0044408380 0.0026494798 -0.0035170873 0.0032146696 -0.0392295174 -0.0230688184 -0.0211345056 -0.0006187166 -0.0039777476 0.0006570959 -0.0034143642 0.0017167064 -0.0112784324 -0.0041830107 0.0073480420 -0.0044322606 0.0039231161 0.0039513282 0.0077830473 0.0037659002 0.0044596273 -0.0001114551 -0.0025305684 -0.0011819583 0.0066391035 -0.0187745520 -0.0064655120 -0.0112307678 0.0027530330 -0.0032858612 -0.0059279202 -0.0296296446 0.0327053279 0.0311686635 -0.0043756278 0.0086715468 -0.0016542731 0.0162371961 -0.0433867709 0.0124048533 0.0484651306 0.0135031976 -0.0052787278 0.3273247883 -0.1023771702 0.0543692573 -0.4106173913 0.1886162956 -0.0992120149 -0.0762641680 -0.0248658694 0.0346793769 0.3887496988 0.2657073502 0.0868597917 0.0233963656 0.1320313865 0.0585166299 -0.0124255815 -0.0572319910 -0.0207729382 0.2524391773 0.1284775349 0.0774218242 0.0654094330 0.0530135976 0.0023859240 -0.0031225757 0.0890310547 0.0012079459 -0.0899542261 -0.0370255738 0.2627084257 0.1157286172 -0.0475925795 -0.2542957891 0.0028725632 -0.0772883374 0.0028282300 -0.0356089429 0.0656566949 0.1993513185 0.0565484161 0.0416709279 -0.2251349050 -0.0252541484 0.1393033265 0.0034923878 -0.0033977792 0.0061410625 -0.0047278652 -0.0219607537 0.0068902173 -0.0259480139 0.0014357906 0.0122088933 -0.0237082756 -0.0048102862 0.0097368780 -0.0007212576 -0.0033804046 0.0052813827 -0.0016053674 0.0064571442 -0.0098666940 -0.0010247272 0.0146544577 0.0145659003 0.0088936861 -0.0042438843 -0.0138264679 0.0008289902 0.0035195987 -0.0073837142 0.0013942003 0.0004896717 0.0067259087 0.0004959732 -0.0115630801 -0.0188912458 -0.0129838263 -0.0005662359 0.0028395126 -0.0003579214 0.0324480321 -0.0019337768 -0.0258883334 -0.0307450840 -0.0001499697 0.0252120210 -0.0023847980 0.0020483643 0.0013217735 0.0014507483 -0.0007123788 0.0004926293 0.0024344884 0.0079558137 -0.0110271396 0.0005689363 -0.0136451313 -0.0000521718 -0.0142397225 -0.0080389662 -0.0221247813 -0.0040851505 0.0182128614 -0.0036572731 0.0216882498 0.0317810500 0.0447860469 -0.0013898210 0.0087499968 -0.0014720510 0.0576392009 0.0102853752 0.0328851315 -0.0591873260 -0.0206153191 -0.0325348327 0.0022807360 -0.0015801932 -0.0053619197 -0.0056525605 0.0150759473 0.0117559770 0.0129658155 -0.0058838366 -0.0109665729 -0.0008059369 -0.0120744896 0.0024050726 -0.0002229479 -0.0000560029 0.0048223350 -0.0454259337 0.0124116538 -0.0052967685 -0.0263422920 0.0156870842 -0.0095480551 0.0074355337 0.0073111945 -0.0039601921 -0.0415713722 -0.0181052865 -0.0018443125 0.0013673858 -0.0092305121 -0.0044316073 0.0013404486 0.0023401663 0.0020853097 -0.0284222950 -0.0216350545 -0.0139432802 -0.0080000938 -0.0060360769 -0.0012381794 0.0018801925 -0.0070196651 -0.0005674205 0.0098085086 0.0030270789 -0.0224755474 -0.0184020137 0.0026547846 0.0247815037 -0.0007679369 0.0067836263 -0.0002669179 0.0033885161 -0.0047073662 -0.0165253926 -0.0033876193 -0.0041187887 0.0200654496 0.0014979811 -0.0126592747 0.0007976381 0.0001858333 0.0024068316 0.0002408609 0.0112228540 -0.0118168162 0.0032661815 -0.0280062632 0.0577262569 0.0113387624 -0.0041436029 0.0092353101 0.0020003454 -0.0384326059 0.0674826671 -0.0403789500 0.0465892641 -0.1714150566 -0.0373480439 0.1591916445 0.1916720279 0.1423677394 -0.0350581268 -0.1654365661 0.0606614064 0.0402612559 -0.0747925150 0.0383665489 0.0287631048 0.1326942665 0.0334520299 -0.3114309265 -0.2951669719 -0.1867945164 0.0313405519 -0.0039467826 -0.0370179268 0.3192622109 0.0059336289 -0.3163290336 -0.4100624632 -0.0167752594 0.4187480878 0.0032606151 0.0379131021 0.0431408631 -0.0100881175 0.0034980890 -0.0181324053 -0.0902304917 -0.0448876750 0.0759848250 0.0116328940 -0.0928778166 -0.0029573459 -0.0588565722 -0.0403834865 -0.1637749157 -0.0100103217 0.1838680524 0.0200424561 0.0800483516 0.1708305679 0.2614854927 -0.0175613477 0.0350772097 -0.0029565488 0.5466799890 0.0913792083 0.2564680189 -0.5558184397 -0.1302778234 -0.1756112913 0.0059617387 0.0722268762 -0.0215896130 -0.0952435398 0.1988723584 0.1153464835 -0.0308223413 -0.0201017800 0.0297968537 -0.0056680930 0.0118972515 0.0018288772 -0.0032758342 -0.0006884668 -0.0013812783 0.0230098476 -0.0110363621 0.0049110586 0.0235964748 -0.0144653702 0.0095678101 -0.0018443676 -0.0005865628 -0.0002804056 0.0136901988 0.0093176854 0.0037490447 -0.0068254672 -0.0066754706 -0.0016316580 0.0019487201 -0.0008479067 0.0017845663 -0.0002161014 -0.0057324814 -0.0038838744 -0.0010049913 0.0004707187 0.0005134739 -0.0014835056 -0.0014123529 0.0000541783 0.0156094909 0.0006349489 -0.0120522113 -0.0131887816 0.0008735687 0.0108096443 0.0004008000 0.0027639591 -0.0002388937 0.0001606344 -0.0027567148 -0.0070454117 -0.0032160641 -0.0005814181 0.0069341963 0.0012734089 -0.0036801315 0.0001015358 -0.0006916926 -0.0012826116 -0.0111228898 0.0006098540 0.0081856392 -0.0008742256 -0.0040380145 -0.0093458452 -0.0036366682 0.0128121351 -0.0490164253 0.0085717530 0.0012155230 -0.0075976231 0.0081985522 0.0055179168 0.0258878379 0.0092427840 -0.0103890107 -0.0213874401 -0.0216400882 -0.0022584641 0.0126915548 -0.0148805860 0.0015807611 0.0073268883 -0.0064950598 -0.0391413600 -0.0359439130 -0.0119724564 0.0451911096 0.0346297951 0.0209428125 -0.0060825257 0.0026571124 0.0042614131 -0.0074166797 0.0015301331 0.0081198106 0.0338465318 0.0001629510 -0.0481481721 -0.0007842740 -0.0091495318 -0.0020838825 -0.0008351608 0.0025386228 0.0002933039 0.0296686640 0.0080284464 0.0127175447 -0.0019740516 0.0042144665 0.0035853712 0.0044596550 0.0086763521 -0.0002361844 -0.0049148616 -0.0107678740 -0.0097293264 0.0027288805 -0.0145304320 -0.0159926801 0.0049229539 0.0012735402 -0.0027449421 -0.0474070687 -0.0108977005 -0.0153127202 0.0223799993 0.0043640890 0.0005070221 -0.0019358773 -0.0059149325 -0.0006733220 -0.0225509182 0.0036136023 0.0095312256 0.0309725658 -0.0243472941 -0.0204642027 -0.0018362645 -0.0079931746 0.0011094627 0.0333961832 -0.0079849271 -0.0109694772 0.0665762483 0.0266328545 -0.0038462407 -0.2618866550 0.1012252859 -0.0614103802 -0.0339089682 0.0254584854 -0.0020064109 0.2116164458 0.2151096145 0.0975043938 -0.1426743592 -0.1101684941 -0.0243300645 0.0324270164 -0.0390539360 0.0327233101 -0.0351204518 -0.1607608204 -0.0997263298 -0.0527860338 0.0036971562 -0.0066437822 -0.0002722930 -0.0168427178 -0.0084650760 0.2685905941 0.0104883151 -0.1989929504 -0.3390383105 -0.0011880207 0.2298319965 -0.0004894118 0.0502358798 -0.0056348732 0.0094023295 -0.0312840966 -0.1116748169 -0.0378175865 -0.0244821768 0.1416242819 0.0120148024 -0.0730839735 0.0213551132 0.0001246534 0.0018909814 0.0036888636 -0.0035149364 -0.0087666346 -0.0054170282 0.0023074920 0.0076234101 -0.0042319036 -0.0005446811 0.0063444869 0.0016379255 -0.0128207128 -0.0136712035 0.0492742450 0.0814402828 0.1005376933 0.0598084051 0.0109036255 -0.0617287055 -0.1073382613 -0.0451539732 -0.0132822163 -0.0978943067 0.0345912214 -0.0010874910 -0.0265538749 -0.3607730858 -0.2228183998 -0.0837598885 0.2220458853 0.0942653485 0.0466629911 -0.0263682166 0.0157160729 -0.0009729323 0.2009570156 0.0171441995 -0.2145314660 -0.0994783449 0.0013794608 0.0319830929 0.0087969274 0.0096725066 0.0015248588 -0.0031894530 -0.0000071607 0.0009233645 -0.0087823640 -0.0285878985 0.0430694988 -0.0002284649 -0.0017858433 -0.0013457046 0.0008410997 -0.0030121010 0.0016803788 -0.0008300580 0.0042110892 0.0000946899 -0.0006488121 0.0074079639 0.0079056189 0.0007634995 0.0005491289 0.0008643471 0.0101765580 0.0037040976 0.0021986763 -0.0090834831 -0.0030294859 -0.0032535819 0.0000427805 0.0037927241 0.0000842619 -0.0094573759 0.0121374005 0.0088791862 -0.0101592477 0.0059871305 0.0071026649 0.0041333407 -0.0018945952 0.0017554641 0.0203327507 -0.0042005565 -0.0137521924 0.1110631748 0.0032081328 0.0065934163 -0.1576364923 0.0571903526 -0.0355120698 -0.0312363607 0.0144049260 0.0026250609 0.2038655888 0.1830127179 0.0760476562 -0.1204245648 -0.0853206739 -0.0166969013 0.0269044321 -0.0331914096 0.0255601579 -0.0062565224 -0.1151288343 -0.0705299455 -0.0487044158 -0.0016743598 -0.0084531590 -0.0039652109 -0.0126985797 -0.0065963740 0.2400135976 0.0087068339 -0.1729303537 -0.2801778570 -0.0009382655 0.1867805463 0.0009998515 0.0418733804 -0.0040487705 0.0055128949 -0.0282773319 -0.0933523245 -0.0352586016 -0.0183708384 0.1165443989 0.0117666329 -0.0594178480 0.0140441742 -0.0007971190 0.0000520284 -0.0025301178 -0.0125620097 0.0064279219 -0.0058342693 0.0274044883 -0.0348748029 -0.0101822042 0.0015238966 -0.0051016416 -0.0005903633 0.0162681251 0.0148983242 -0.0583551034 -0.0979634102 -0.1143748646 -0.0708886516 -0.0140833953 0.0717129312 0.1278904088 0.0554511192 0.0215959835 0.1162770274 -0.0441266075 0.0014381538 0.0294496720 0.4467892105 0.2678433658 0.1003442964 -0.2532938994 -0.1043367335 -0.0511940588 0.0283501297 -0.0154753511 0.0056979152 -0.2389186650 -0.0239089683 0.2650438209 0.1382534926 0.0000983448 -0.0625946039 -0.0151494090 -0.0150948072 -0.0030511976 0.0066885862 -0.0012440197 0.0006743735 0.0268669465 0.0571231567 -0.0821674703 -0.0087104509 0.0006229130 0.0107817517 0.0158573751 0.0217011902 -0.0137811976 -0.0276764523 -0.0114171213 -0.0438023556 0.0200399261 -0.0148366280 -0.0082692331 0.0240522031 0.0121895941 -0.0085821084 -0.1083243432 -0.0211924187 -0.0337641023 -0.0103015136 -0.0120754990 -0.0357523478 -0.0089860845 0.0013398788 -0.0060182050 -0.1630600694 0.0926879322 0.0916418976 0.1003021840 -0.1055664481 -0.0599016160 0.0082081153 -0.0236458353 0.0080304351 -0.0365476822 0.0069104354 -0.0222860653 0.3017032384 -0.1430673233 0.0578524209 0.0040191215 -0.0583233062 0.0991502257 0.0185851307 -0.0070983164 0.0813188930 -0.1517762919 -0.2145636871 -0.1245111063 0.0262375887 0.2132869990 0.0786979396 0.0191379311 0.0035521270 -0.0363153594 0.3157129592 0.2461757483 0.1342047439 -0.3727693857 -0.3702288546 -0.1617685537 -0.0492293595 0.0031536002 -0.0139194736 0.2644250834 0.0219070888 -0.2134849252 -0.0603448737 -0.0127726435 -0.0365437034 0.0252348686 0.0195637718 0.0189460483 -0.0498028510 -0.0493357833 -0.0263907224 -0.0892762407 0.0221483799 0.0504312126 0.0366904750 -0.0136434382 -0.0822690707 -0.0014266371 0.0023026669 -0.0131773366 -0.0032255844 0.0237834223 -0.0030638072 0.0100422456 -0.0303159976 -0.0059162644 0.0055805395 -0.0049942716 0.0125375731 -0.0004882534 0.0001923129 0.0017983521 0.0030423191 0.0020034315 0.0021273614 0.0017108688 -0.0011847301 -0.0040114532 -0.0017772376 -0.0013226323 -0.0038874593 0.0012078574 -0.0014576017 -0.0007552177 -0.0106549442 -0.0078743226 -0.0026577109 0.0112090103 0.0021367683 -0.0004047719 -0.0036351298 -0.0001051043 -0.0000486533 0.0189548681 -0.0031811122 -0.0177966565 -0.0061584019 0.0048437284 0.0157485684 0.0026759742 0.0060373166 -0.0004631745 0.0012992927 -0.0026087634 0.0012854590 -0.0250172605 -0.0081345096 -0.0155283463 -0.0281502558 -0.0005908970 0.0340200491 0.0632797712 0.0614414495 -0.0306006721 -0.0829362869 -0.0338250645 -0.1276685788 0.0827315289 -0.0273431052 -0.0025145621 0.0650753787 0.0346562361 -0.0353624100 -0.2807359582 -0.0548403946 -0.0997636724 -0.0302446650 -0.0391719155 -0.1202900005 -0.0389508393 0.0163901084 -0.0051366739 -0.4856371257 0.2301730013 0.2239600027 0.4169861613 -0.4244957215 -0.2349927624 -0.0097169362 0.0172528019 -0.0077325546 0.0069622491 -0.0026067815 0.0050292233 -0.0943957431 0.0425753895 -0.0185819552 0.0294653427 0.0005392175 -0.0181566686 -0.0028244566 0.0011520233 -0.0246336889 0.0323500326 0.0512461709 0.0316106487 -0.0066314930 -0.0639727720 -0.0245173204 -0.0067908016 0.0023354387 0.0100963428 -0.0970936148 -0.0688998648 -0.0383549372 0.1142167142 0.1089357808 0.0497413672 0.0143945070 -0.0009446164 0.0045388029 -0.0959918020 -0.0072476230 0.0745131032 0.0381286017 0.0047782304 -0.0005079464 -0.0072843968 -0.0083372762 -0.0055250605 0.0141379491 0.0160119485 0.0132456160 0.0273499155 -0.0053838162 -0.0217776400 -0.0114433887 0.0081868635 0.0240351780 -0.0007704322 -0.0001689513 -0.0087006812 0.0026327510 -0.0046903442 0.0042721615 -0.0014448817 0.0072123048 0.0047804126 0.0282198720 -0.0284479778 0.0437326683 0.0011873999 0.0004313385 -0.0032374503 -0.0049951513 -0.0038858672 -0.0038120178 -0.0027756845 0.0031294333 0.0079612070 0.0036120337 0.0021787110 0.0079592528 -0.0037106136 0.0010963057 0.0015826571 0.0257752468 0.0098617361 0.0059951566 -0.0158910598 -0.0055777895 -0.0046808466 0.0043046493 -0.0010119593 -0.0009668039 -0.0166292800 -0.0016439113 0.0195366018 0.0081728937 -0.0011507143 -0.0044728035 -0.0025011160 -0.0041890119 0.0002578669 -0.0012720472 0.0022264569 -0.0010049681 0.0191549351 0.0034303358 0.0187667390 0.0001202459 -0.0004171342 0.0004449394 -0.0039667819 0.0018023736 -0.0057852855 -0.0026805485 0.0013222215 -0.0053075898 -0.0043350531 -0.0032560060 -0.0028906274 0.0036186456 0.0017449772 0.0021250566 -0.0125828858 -0.0025407886 0.0001565490 -0.0104337529 -0.0021859525 -0.0015568068 0.0025931167 -0.0013039695 -0.0031650142 -0.0119551218 0.0183173778 0.0179158093 -0.0277113116 0.0213075389 0.0140744644 0.0073991140 -0.0177500050 0.0047518348 -0.0089819613 -0.0211900113 -0.0364271898 0.3138799090 -0.0785839587 0.0403371031 -0.2979536482 0.0314529029 0.0300608305 0.0602865943 0.0613329265 0.0397757568 -0.1461706703 -0.0874335102 -0.0233867082 -0.4763583100 -0.2610003662 -0.0894366913 0.0522697717 0.0592492321 0.0367412934 -0.3213551050 -0.2031171712 -0.1065904528 -0.2445311873 -0.1276949323 -0.0647101810 0.0072809678 -0.0211841978 -0.0166046585 -0.3304033725 -0.0088724621 0.1364500073 0.1705182412 0.0136599095 -0.0760944279 0.0150126009 -0.0229209424 -0.0178093476 -0.0660314354 0.0287511074 0.1013246219 -0.0669043647 -0.0198968195 0.0058402581 -0.0103442417 0.0613907167 0.1033763110 -0.0009265744 0.0016733619 -0.0035452320 -0.0107624330 0.0167200793 -0.0090051960 0.0340003652 -0.0397232146 -0.0148817278 -0.0009848188 -0.0007533655 -0.0010980915 -0.0001090023 -0.0009461909 -0.0014020836 0.0024641854 0.0050251707 -0.0008978122 0.0067114283 0.0045391659 0.0060209650 0.0027289064 0.0093363420 0.0046307362 -0.0032755827 -0.0026311744 -0.0025738058 0.0339375959 0.0094640434 0.0024616718 0.0097827992 0.0034796034 0.0010689590 -0.0094592465 0.0020792117 0.0078862396 0.0320156463 -0.0077189879 -0.0175829560 0.0248101669 0.0083581202 -0.0132444983 0.0001647324 0.0041700147 0.0000638299 0.0048681381 -0.0052860661 0.0026778360 -0.0271253511 0.0149828441 -0.0673312907 -0.0001209915 -0.0014199535 -0.0078963076 0.0366197045 -0.0175568661 0.0417704025 0.0250852270 0.0139868788 0.0574935196 0.0243163712 0.0357539731 0.0325140478 -0.0316291919 -0.0109003959 -0.0117379037 0.1213970150 0.0334436465 0.0051905132 0.0729369722 0.0093173540 0.0070449040 -0.0080777734 0.0168910930 0.0160086861 0.0119489892 -0.0456113963 -0.0546553038 0.1337124893 -0.0950789709 -0.0619141236 -0.0187500450 0.0418311617 -0.0311610713 0.1133829865 -0.0660354753 0.0596472675 -0.3865585874 0.1139205011 -0.0506242801 -0.5375620967 0.2126615870 -0.1492671148 -0.0126962651 0.0305387037 0.0003373393 -0.3234961518 -0.1600523661 -0.0347743985 0.2206979144 0.1607791426 0.0607124543 0.0208314340 0.0148136759 -0.0130712369 0.0230931839 0.0479280576 0.0340862065 -0.1910096374 -0.1620374614 -0.0861053129 0.0118735781 0.0026035873 -0.0142910616 -0.0680336662 0.0160167454 0.0003900215 -0.0555528198 -0.0214413846 -0.0113238691 -0.0013680223 -0.0010008550 0.0007243475 -0.0160836683 0.0117787143 0.0269831303 0.0001263607 -0.0093124937 0.0177527525 -0.0022022790 -0.0109434534 0.0090650056 0.0022843976 -0.0012467590 0.0305672150 -0.0025475343 -0.0381847521 -0.0288642944 -0.0741676492 0.1517290467 -0.0190127150 0.0077362429 -0.0077564193 0.0032579048 -0.0012793647 -0.0119544373 -0.0101632591 0.0237589240 0.0567236720 -0.0049584483 0.0291908504 0.0236079659 0.0542467431 0.0202389099 0.0617420258 0.0464111828 -0.0235002407 -0.0071163107 -0.0073660691 0.1207459933 0.0346771778 0.0135936670 0.0543344045 0.0270254173 0.0076676609 -0.0056178735 0.0076643992 0.0188533996 0.0591158620 0.0107523538 -0.0399628016 0.0412693522 -0.0095134458 -0.0741385982 -0.0060927662 -0.0129156867 0.0066752605 0.0019129430 0.0012166794 -0.0023342990 0.0369940722 0.0522256605 -0.0623867600 -0.0001878539 -0.0001501855 0.0011311192 -0.0066955862 0.0034835688 -0.0069870090 -0.0039258176 -0.0030236518 -0.0091447466 -0.0023013382 -0.0064271233 -0.0055404169 0.0057196110 0.0011150049 0.0017525282 -0.0143978136 -0.0054855494 0.0011252710 -0.0159920632 -0.0007063512 -0.0003540246 -0.0011718408 0.0003038283 0.0007449171 0.0094285924 -0.0070330080 -0.0064776737 -0.0172400470 0.0079100306 0.0104761153 0.0023926918 0.0097580566 0.0038858884 0.0239996838 -0.0162229036 0.0090969382 -0.0441122959 0.0058511814 -0.0057035207 -0.1374067920 0.0423317113 -0.0230245203 -0.0031201939 0.0076089485 0.0048528563 -0.0644371020 -0.0349517192 -0.0099526107 0.0272070941 0.0285243236 0.0126197174 0.0098216438 0.0083855615 0.0026500644 -0.0063558983 0.0017502664 0.0025505636 -0.0941122965 -0.0615088626 -0.0332646453 0.0143289583 -0.0000770084 -0.0115803011 -0.0699110341 0.0034205234 0.0253393854 -0.0477187591 -0.0071756909 0.0161227061 0.0002563369 -0.0013336144 -0.0077498956 -0.0208967154 0.0190538344 0.0326759971 -0.0138760362 -0.0183834957 0.0301884308 -0.0064043565 0.0016778251 0.0464680571 -0.0004101599 -0.0014175387 -0.0029532105 -0.0036840875 0.0011175914 -0.0074261393 -0.0091366656 0.0063095528 -0.0098669935 0.0009331821 -0.0033160446 -0.0015435786 0.0201627866 0.0423950985 0.0286384999 -0.1366528815 -0.2148235557 0.0038643489 -0.1659334175 -0.1013110244 -0.1743793805 -0.0548305794 -0.2287076648 -0.1493537433 0.0591513022 0.0363437037 0.0305584854 -0.3472599888 -0.0787131043 -0.0270229761 -0.2006333968 -0.0738139071 -0.0134842675 0.0597506994 -0.0206481285 -0.0753813235 -0.4289234051 0.0004653475 0.3428354936 -0.1171548902 -0.0169028007 0.1230290665 -0.0115681267 -0.0249876876 -0.0201782392 -0.0177131735 0.0250246930 -0.0026646155 0.1686586603 -0.1030814377 0.4053391768 0.0004449563 0.0018600632 -0.0175162046 0.0612844508 -0.0322688443 0.0855819708 0.0491708599 0.0173857264 0.1085881531 0.0335884548 0.0580271260 0.0442590705 -0.0582233728 -0.0156784059 -0.0171157513 0.1638601151 0.0522187048 0.0019725096 0.1954284072 0.0262245496 0.0235499664 0.0018260953 0.0081925694 0.0136051203 -0.0331438298 0.0048061916 0.0041226388 0.1649602863 -0.0664266592 -0.0869679242 0.0000562754 0.0005544364 -0.0054600508 0.0031781121 -0.0100515451 -0.0004050003 0.0457644275 0.0208990573 0.0100210525 -0.0951915545 0.0378696896 -0.0437358778 0.0035576848 0.0198766321 -0.0020520528 -0.0180090793 0.0233086683 0.0184012992 -0.0782524312 -0.0559173545 -0.0196793849 0.0292420931 0.0067575691 -0.0177521181 -0.1619017531 -0.1113732941 -0.0585635535 0.1832402556 0.0374082849 0.0387939918 -0.1132071456 -0.0125152987 0.0626443684 0.3129299293 -0.0024356966 -0.1794972012 0.3996845958 0.0317604405 -0.2016609632 0.0123080000 0.0023202477 0.0564736799 0.0849729868 -0.1429326799 -0.1809444210 0.0454048310 0.1333419669 -0.2066735220 0.0525324990 -0.0062329444 -0.3139770874 -0.0004559463 0.0009144959 0.0047460541 0.0026757167 -0.0101947476 -0.0048246174 -0.0141068880 0.0377370835 -0.0012819052 0.0015985529 0.0022248750 0.0047835984 -0.0022755022 0.0262179179 0.0132413016 -0.0397861436 -0.1297965597 0.0033182963 -0.0375909928 -0.0295161700 -0.1006788194 -0.0399701131 -0.1182635522 -0.0825037726 0.0546567093 0.0193973585 -0.0037434542 -0.0854804421 -0.0138696053 -0.0244893301 -0.2383414420 -0.0824659506 0.0073671139 -0.0326796897 -0.0106262563 0.0243109822 -0.0167255307 0.0092458380 -0.0191603468 0.1321538006 0.0084537380 -0.1119352490 0.0008580432 0.0021739984 -0.0065770414 0.0059936655 -0.0072806507 0.0052841634 -0.0178410730 0.0217581985 -0.0784472951 0.0007384219 0.0025227166 -0.0209283006 0.0709572028 -0.0398419621 0.1038324197 0.0567086174 0.0200402476 0.1248083782 0.0359706732 0.0703532572 0.0533505042 -0.0681355186 -0.0175144932 -0.0192357349 0.1847998666 0.0621000797 -0.0012156376 0.2354009165 0.0290826862 0.0257868274 0.0049159338 0.0073732798 0.0134184188 -0.0529473850 0.0209481649 0.0209817000 0.1815490931 -0.0658029763 -0.0969431859 0.0018581194 -0.0092529610 -0.0038096861 -0.0242329915 0.0194767173 -0.0047545502 0.0503057154 -0.0298596019 0.0117696513 0.1318290671 -0.0392663046 0.0255119648 0.0019947206 -0.0174874232 0.0028516834 0.0466386865 -0.0003931039 -0.0056476348 0.0229391649 0.0270259387 0.0060623024 -0.0245896192 -0.0081062472 0.0119221023 0.1185588170 0.0798146113 0.0424105017 -0.1001566398 -0.0052091591 -0.0163389091 0.0754790785 0.0087447509 -0.0407571676 -0.1985714218 -0.0002705100 0.1200769835 -0.2675721403 -0.0192361034 0.1391659923 -0.0078383027 -0.0013149311 -0.0390784539 -0.0572767063 0.0968427094 0.1213793762 -0.0331236544 -0.0906986661 0.1410764454 -0.0354759345 0.0062668000 0.2150185718 -0.0001216114 0.0013079835 0.0010969562 0.0061223855 -0.0021781267 0.0045715585 -0.0087101378 0.0108176544 0.0074627923 0.0007492143 0.0037835536 0.0059667223 -0.0117717785 0.0349857668 0.0155468082 -0.0284085628 -0.1739067115 0.0051100111 -0.0169835358 -0.0232978018 -0.1327920081 -0.0584743660 -0.1496335857 -0.1054642126 0.0869402267 0.0275893201 -0.0139565662 -0.0752218827 -0.0093745957 -0.0382271721 -0.3952966558 -0.1361237680 0.0148397904 -0.0739298032 -0.0166152797 0.0626256294 0.0806747187 0.0159912965 -0.1268975437 0.2705926500 0.0202330720 -0.2258674595 0.0081418990 0.0113000735 -0.0105211382 0.0123052099 -0.0168290987 0.0099142541 -0.0745372855 0.0390864228 -0.1973608110 0.0007464060 0.0035356193 -0.0372353848 0.1340254126 -0.0594320554 0.1651449396 0.1097970106 0.0464633534 0.2458504179 0.0729418208 0.1086416643 0.0788109042 -0.1247994074 -0.0322185164 -0.0343965856 0.3387871517 0.1053150123 0.0135889591 0.4170641732 0.0615902757 0.0586017740 0.0108279939 0.0120756976 0.0229654242 -0.0876974263 0.0402913954 0.0414835848 0.3114141143 -0.1020179107 -0.1669994253 0.0070523472 -0.0133480187 0.0019579367 -0.0341513582 0.0222562464 -0.0145654741 0.1390038090 -0.0613500337 0.0229479587 0.0945563463 -0.0372052137 0.0354819484 0.0059999887 -0.0072271065 0.0053654190 0.0685187244 0.0280591952 0.0071296101 -0.0601007667 -0.0232098036 -0.0117619867 -0.0049091887 -0.0017678729 0.0049012071 0.0088188997 0.0004098966 -0.0017606859 -0.0015817920 0.0122419422 0.0062623467 0.0100494036 0.0001406274 -0.0053070485 -0.0279347255 -0.0037724705 0.0223408154 -0.0315785845 0.0019124715 0.0247771685 0.0007983894 -0.0004420925 -0.0088329426 -0.0146301859 0.0161786222 0.0226696127 -0.0154828584 -0.0165219001 0.0271906379 -0.0058175012 0.0064855778 0.0458316768 -0.0013901360 0.0017873445 -0.0038728101 0.0095048244 -0.0052229193 0.0041204279 -0.0127810848 0.0203739224 0.0082682839 0.0007487363 0.0060806399 0.0093656595 0.0097684820 -0.0267236768 -0.0102340468 0.0189246891 0.1315458829 -0.0026878576 0.0102491129 0.0139916535 0.0961244717 0.0436771741 0.1122326713 0.0753462506 -0.0650145189 -0.0226509255 0.0115336806 0.0252526480 0.0177896615 0.0250100551 0.3139570635 0.1115616067 0.0038925760 0.0598817334 0.0122091132 -0.0565432699 -0.0738307543 -0.0253969736 0.1193591277 -0.2201072784 -0.0068076935 0.2065796611 -0.0030090425 -0.0089379921 0.0092969534 -0.0130251868 0.0146921074 -0.0104660952 0.0575761128 -0.0439196076 0.1831637520 0.0025632274 0.0001246572 0.0007021140 -0.0033728607 -0.0015091247 -0.0041126389 0.0011544266 0.0052521629 -0.0010424787 -0.0088310040 -0.0003685930 0.0002837646 -0.0050068522 -0.0002098053 -0.0019064718 0.0122639826 -0.0021855095 0.0132789022 0.0061876302 0.0084009873 0.0074012574 0.0057433297 0.0032457888 -0.0020870522 -0.0418715688 0.0174674023 0.0121399936 -0.0144620286 -0.0065153461 0.0148755095 -0.0020222265 -0.0003567798 -0.0076350017 0.0114186147 -0.0062471967 0.0038452545 -0.0435685872 0.0252907336 -0.0085463004 0.0172852203 -0.0013625315 -0.0047789105 -0.0030171379 -0.0008158240 -0.0021704663 -0.0067987701 -0.0086745140 -0.0110752111 0.0215367988 -0.0052621180 0.0035182274 -0.0027726271 -0.0016789650 -0.0006016233 0.0079954997 0.0109757355 0.0109420415 0.0031134993 0.0125847031 0.0003871511 0.0035271677 0.0008255537 -0.0011331947 -0.0060208962 0.0007333648 0.0043806984 -0.0122838666 -0.0017053607 0.0055851114 -0.0010493700 0.0000501712 -0.0012811321 -0.0004774187 0.0044510033 0.0041052010 0.0026841402 -0.0037537628 0.0047061482 -0.0014002895 -0.0017015090 0.0064654557 0.0008282379 0.0003413980 0.0023011343 -0.0122873989 0.0115776962 -0.0011868316 0.0346206214 -0.0321065017 -0.0042321053 0.0024367027 -0.0068547040 0.0021737907 0.0459053634 0.0454452872 0.0294242605 -0.1714124997 -0.1866251340 0.0030644782 -0.2151932014 -0.1104708324 -0.1453266213 -0.0186155095 -0.2003136116 -0.1236844944 -0.0325321414 -0.0161596470 0.0171467599 -0.0465970415 -0.0629575543 0.0114738784 0.2244687962 0.0444646326 -0.0593332192 0.0384421238 0.0208002920 -0.0455269301 -0.1509582826 0.0627164329 0.0687630373 -0.2658562602 -0.0423085094 0.0919616860 -0.0345925545 0.0331179015 0.0625875827 0.0436305436 -0.0482678618 0.0068672568 -0.2383559469 0.2766299310 -0.6786613496 0.0030959508 0.0004317573 0.0001855667 -0.0057404771 -0.0024724439 0.0007389974 0.0001653810 0.0060938997 -0.0045944720 -0.0149948662 -0.0002486237 -0.0006979494 -0.0064135583 0.0009105676 0.0003579018 0.0023641591 0.0052227702 -0.0012125665 0.0275540862 0.0002445025 -0.0005899693 0.0093834804 -0.0030864506 -0.0037745946 -0.0444085710 0.0287642265 0.0300176628 -0.0272489929 0.0198002933 0.0175573882 -0.0001934569 -0.0022896210 0.0014941482 -0.0023645235 -0.0093637477 -0.0093593664 0.0451016565 -0.0200425778 0.0026689950 -0.0856300491 -0.0009752835 0.0223418022 0.0545136074 0.0288485627 0.0142380613 -0.1317339606 -0.0759032098 0.0111087480 -0.2185751329 -0.0835382001 -0.0484713295 -0.0615659179 -0.0251591708 0.0121119727 0.2102829533 0.0769596185 -0.0148807793 0.0226988474 0.0045040412 0.0444020870 0.0926999291 0.0116210378 -0.0472805003 -0.2023861777 0.0422172656 0.0437415371 -0.3019514404 -0.0709877444 0.0793794427 -0.0829726448 -0.0050152902 0.1074679604 0.4067635675 -0.0881942708 -0.3041580548 0.3020587563 0.1463067037 -0.2962981947 -0.0266373691 0.0249216066 -0.4374788380 -0.0000714381 0.0001058140 -0.0018959499 -0.0038627861 0.0090001217 -0.0010508867 0.0124756652 -0.0233521588 -0.0049129683 0.0000421493 -0.0036580235 0.0004078596 0.0056486290 0.0056105978 0.0025786825 -0.0212252974 -0.0206009070 -0.0006513750 -0.0228422679 -0.0099121384 -0.0131126725 -0.0011828265 -0.0206370052 -0.0133242471 -0.0064518636 -0.0024755914 -0.0013720560 0.0248534969 0.0003335408 0.0028153427 0.0148710620 0.0035563920 -0.0048073144 -0.0005894648 0.0007285161 0.0020970624 0.0168071250 -0.0061061091 -0.0042369219 0.0079850437 0.0031443635 0.0007722748 0.0013631228 -0.0021409253 -0.0027119262 -0.0018332507 0.0024242143 -0.0004002556 0.0128628491 -0.0119308178 0.0310546602 0.0059683914 0.0019030938 -0.0001006136 -0.0216175052 -0.0133429926 0.0134319877 -0.0020489123 -0.0035538641 -0.0190959925 -0.0265302996 0.0089456224 0.0072966857 -0.0090379593 0.0019483960 -0.0002418664 -0.0006908981 0.0054441863 -0.0003535428 0.0453705299 0.0026920031 -0.0002256592 0.0149027945 -0.0050106019 -0.0057789260 -0.0751207632 0.0450328708 0.0474050219 -0.0432076968 0.0284802006 0.0285504856 0.0017747061 -0.0004608987 0.0034362346 0.0100982583 -0.0083424866 0.0028130263 -0.0241798678 0.0248457485 -0.0041435789 -0.0026791331 0.0024322460 -0.0106526607 -0.0029211476 0.0012755191 -0.0000503272 -0.0073110216 -0.0086121020 -0.0121448275 0.0118668946 -0.0090953316 0.0035834352 0.0008243812 0.0014940955 0.0016566880 0.0004963641 0.0001494331 -0.0001068309 -0.0150190545 -0.0067319136 -0.0040485470 0.0052506011 0.0001121824 -0.0035404412 -0.0197656878 0.0035327077 0.0026622744 -0.0161266612 -0.0051021454 0.0018326590 -0.0053322141 -0.0003210255 0.0077055430 0.0250181629 -0.0073823788 -0.0200694284 0.0215041832 0.0107107497 -0.0213837856 -0.0009557840 -0.0012709471 -0.0315580100 -0.0000469765 -0.0001118703 -0.0055450446 -0.0098453656 0.0148602682 -0.0011780560 0.0259068896 -0.0407610295 -0.0065177530 0.0004003664 -0.0066117587 0.0011834165 -0.0780824571 -0.0807534139 -0.0384542875 0.2907085861 0.2921692869 0.0057801136 0.3185786068 0.1390598792 0.1927229936 0.0181663442 0.2938314618 0.1902011485 0.0951026896 0.0379192497 0.0227811586 -0.3868402319 0.0252375243 -0.0409344403 -0.2341629019 -0.0475812329 0.0943431685 0.0145257736 -0.0085400570 -0.0500330492 -0.3001810497 0.0105392102 0.2094520861 -0.0695660132 -0.0012552664 0.0491577409 -0.0254166816 0.0087824539 0.0279196150 0.0234055407 -0.0230062301 0.0067680602 -0.1007662482 0.1417458018 -0.3196736856 -0.0773630997 -0.0118959618 -0.0408038773 0.2579445863 0.0162152213 0.1004034526 0.0572274947 -0.0537827080 0.2745120858 0.3497195211 0.0878120163 0.0622979663 0.0868429862 -0.0070013941 0.0027987601 -0.0766996249 -0.0778382536 0.0290573355 -0.3340250506 0.0116434480 0.0286626458 -0.1026749678 0.0331229080 0.0352485891 0.4655929489 -0.2458813566 -0.2606234542 0.2485882245 -0.1551346658 -0.1761843171 0.0031744832 0.0008039530 -0.0081829608 -0.0278829600 0.0103837297 -0.0028246306 0.1312413542 -0.0223898185 0.0334278335 -0.0051500835 0.0173718217 -0.0355979651 0.0271466146 0.0080726273 0.0066996014 -0.0403443316 -0.0151336198 0.0307685658 -0.1071285228 -0.0080448030 -0.0252247010 -0.0233173454 -0.0154855854 -0.0054527006 0.0632813235 0.0369013718 0.0157796224 0.0647347648 0.0428983413 0.0255506528 0.0064901469 0.0032424806 0.0010175477 0.0213498505 0.0005815001 -0.0008715195 -0.0257175569 -0.0028876911 0.0142131774 -0.0021745247 -0.0004020906 -0.0015477962 0.0159467631 0.0079727264 -0.0029159883 -0.0029522160 -0.0042841050 0.0063625338 -0.0044218314 0.0153107950 0.0064029699 -0.0000283512 0.0002168907 0.0119519450 0.0185003757 -0.0322918442 -0.0071327991 -0.0459637150 0.1022122267 0.0045276942 0.0047268082 0.0242793631 -0.0055512381 -0.0067498493 -0.0091228687 -0.0036146470 0.0232096495 0.0328755412 0.0004188694 0.0228867747 0.0100274550 0.0213028233 0.0013608127 0.0249191985 0.0168850438 0.0102383843 0.0086516589 0.0062487315 -0.0492845100 -0.0261904380 -0.0016326811 -0.0139116579 -0.0061633953 -0.0116019967 0.0055940740 -0.0000592956 -0.0113085082 -0.0688676283 0.0051134861 0.0509261566 -0.0207948617 -0.0028019062 0.0058610363 -0.0067266326 -0.0008951757 0.0102870759 0.0043405432 -0.0046188969 -0.0006565925 -0.0127333399 0.0465320827 -0.0827897051 -0.0231043492 -0.0024988437 -0.0162397126 0.0856272185 -0.0001285587 0.0438659403 0.0263723955 -0.0136269017 0.1026609727 0.1078517069 0.0336137063 0.0212174163 0.0168792933 -0.0001686441 0.0009297165 -0.0298097108 -0.0230286599 0.0138558356 -0.0521562614 0.0119749611 0.0159457532 -0.0160637105 -0.0008768506 0.0020255251 0.0803891511 -0.0123145167 -0.0080474179 0.0338403369 0.0077347466 -0.0369732292 0.0052106244 -0.0098755597 0.0062115714 0.0048282274 0.0370372295 -0.0034375365 -0.0766375531 -0.0942451644 -0.0269477998 0.1663221678 -0.0589631175 0.1092653474 -0.1118223406 -0.0591387824 -0.0139465672 0.3315996238 0.1307071312 -0.1008696476 0.3616461653 0.0488023703 0.0953580731 0.1113365832 0.0805441254 0.0430922648 -0.2859493176 -0.1747217750 -0.0768675207 -0.4166142026 -0.2394742146 -0.1410359551 0.0121484798 -0.0173378743 -0.0360459848 -0.2538583474 0.0069447818 0.0518885388 -0.0090057979 -0.0056676739 -0.0158420208 -0.0247877974 -0.0014426974 0.0547646849 0.0962869642 -0.0866280403 -0.1251961275 0.1274738148 0.0912618792 -0.1667400517 0.0072131927 -0.0526773793 -0.2051524817 -0.0001859701 0.0002521328 -0.0057314047 0.0011065476 0.0028402580 0.0088964866 0.0027200233 -0.0218791067 0.0100519475 -0.0006475095 0.0060047766 -0.0006763333 0.0006581686 0.0012037869 0.0008525889 -0.0031378246 -0.0042928082 0.0003944555 -0.0017967802 -0.0012220122 -0.0038565078 -0.0007032424 -0.0028881709 -0.0038577459 -0.0015866417 -0.0007460169 -0.0006801091 0.0105292954 -0.0057024080 0.0008325186 0.0050974265 -0.0006534336 -0.0060091022 -0.0017498295 -0.0007066202 0.0035280843 0.0152756181 0.0085288610 -0.0252669984 -0.0028422574 -0.0041252683 -0.0054786523 0.0021884735 0.0043732473 0.0001716373 0.0000477399 -0.0017629728 -0.0000416084 -0.0184710525 -0.0040384385 -0.0116415344 0.0788817565 0.0062647762 0.0756687453 -0.3308071465 0.0359625565 -0.2270135296 -0.1183911011 0.0208696935 -0.4157055707 -0.3559045934 -0.1659719687 -0.1000577293 -0.0264891852 -0.0192044684 -0.0125379388 0.2027374225 0.0907215311 -0.0780679637 -0.0102491522 -0.0724166486 -0.0778246031 -0.0498960393 0.0496112533 0.0445171935 0.1959390788 -0.2457359763 -0.2807729028 0.2627153598 -0.2492839648 -0.1079352243 0.0004104839 0.0065387899 -0.0232016972 -0.0330937725 0.0241428518 -0.0025014903 0.1378485400 -0.0403333389 0.0350994332 0.0493783656 0.0116586272 -0.0298441901 -0.0054478308 -0.0112057190 0.0025791997 0.0603369567 0.0282051403 0.0101447962 -0.0029406939 0.0181686396 0.0020487439 0.0110468559 0.0077296170 0.0055566878 -0.0282462215 -0.0131317616 0.0003601254 -0.0549874408 -0.0203084708 -0.0176892415 0.0054099735 -0.0022449412 -0.0068832513 -0.0390164253 -0.0000340063 0.0118013638 -0.0139384052 -0.0005238739 0.0069391622 -0.0051714490 -0.0005757598 0.0088572030 0.0242836555 -0.0130022261 -0.0249583012 0.0172519195 0.0151456820 -0.0272290029 -0.0012669250 0.0004766007 -0.0301291814 0.0006854940 0.0001495170 0.0227729158 0.0262417611 -0.0475634593 -0.0062405807 -0.0684316481 0.1454766012 0.0112424812 0.0022979933 0.0180099065 -0.0038942574 -0.0018840482 -0.0028651436 -0.0015669971 0.0108226723 0.0077799752 -0.0001212091 0.0057809200 0.0018089479 0.0042610866 0.0020021899 0.0093641207 0.0104208017 0.0030747029 0.0018543267 0.0022958105 -0.0224147582 0.0044837791 -0.0009866790 -0.0036403566 0.0016532521 0.0063948255 0.0030681659 0.0002070989 -0.0076887601 -0.0335125566 -0.0073344563 0.0372817370 -0.0064749886 0.0053701222 0.0157081652 -0.0032004163 0.0003230444 0.0043427842 0.0029306964 -0.0019745568 0.0008114198 -0.0078736116 0.0191310095 -0.0364745601 0.0042681961 0.0010039457 0.0052782804 -0.0220559165 0.0048296253 -0.0177887227 -0.0057194342 -0.0051756886 -0.0218487174 -0.0134139539 -0.0138031484 -0.0092412230 -0.0012877241 -0.0025564435 -0.0023177642 0.0193061706 0.0058021988 -0.0061744628 -0.0017983840 -0.0036263729 -0.0040391442 -0.0133754722 0.0003598805 0.0059691385 0.0680503689 0.0043291229 0.0128537874 0.0545546741 0.0228702478 -0.0499110485 0.0005666176 -0.0010082919 0.0138421782 0.0399519640 0.0570028127 -0.0354863769 -0.3009729296 -0.5834011182 -0.1357852614 -0.2266912225 -0.1585907913 0.5921343940 0.0124610439 -0.0048969066 -0.0175441089 -0.0601154449 0.0617617976 0.1596861807 -0.0819488883 0.1290616872 -0.0420081741 -0.0117044988 -0.0001138746 0.0011722459 0.0472980439 -0.0388843382 -0.0958954553 0.1082953704 -0.0482907514 0.0504807197 -0.0073215482 0.0010508165 0.0025905621 0.0472907588 -0.0262697587 0.0246496192 0.0261015162 0.0318790087 0.0275031667 0.0021251337 -0.0010788016 -0.0062163364 0.0028579699 0.0143427617 0.0117343235 -0.0183442103 -0.0116535014 0.0200255875 -0.0027078099 0.0187662222 0.0150153480 0.0004038370 -0.0014562597 -0.0093355766 0.0016548206 0.0051887054 0.0025733424 0.0109747197 -0.0398117654 -0.0020384359 0.0012050809 0.0000218762 -0.0013183530 -0.0010380292 -0.0006496641 -0.0013464714 0.0087179957 0.0039040778 -0.0002430994 -0.0029153801 0.0003637724 0.0040500040 0.0012904695 -0.0028481866 0.0090298699 0.0025542012 0.0011585204 -0.0003826320 -0.0076653334 0.0102420603 -0.0014531087 -0.0149906764 -0.0001353702 0.0120298722 0.0033751549 -0.0027764902 0.0033724502 -0.0302047851 0.0379530244 -0.0222533473 -0.0172239216 -0.0230479178 -0.0303732016 -0.0011643776 0.0026399779 0.0011542341 0.0016941824 -0.0020536264 0.0006582788 -0.0102837389 0.0060547382 -0.0159535653 -0.0110299247 -0.0060488608 -0.0199806696 0.1086417022 -0.0182179662 0.0734772501 0.0125571463 0.0696027444 0.0590917016 -0.0074312707 0.0554981259 0.0395018448 0.0054383781 0.0011907618 -0.0102726969 -0.0453938806 -0.0964681891 0.1489511624 -0.0279277202 0.1296107730 0.1316362672 0.0694719701 0.0447986628 -0.0068688182 -0.4421922846 -0.2882736033 -0.3991910245 -0.2592918544 -0.4545681139 0.3686514428 -0.0045285274 0.0125774070 -0.0192793318 -0.0139959536 0.0204350629 -0.0057449943 0.0382045282 -0.0874297715 0.0023947710 -0.0043084335 -0.0086393928 0.0488692787 0.0021327016 -0.0096670955 -0.0030106534 0.0081830658 0.0318145810 0.0625777952 -0.0332733444 0.0611030831 -0.0128757279 0.0031397902 0.0038964598 0.0022477009 -0.0027661203 -0.0133056402 -0.0195917550 -0.0027167437 -0.0212075535 0.0020306866 -0.0009492472 -0.0011445895 -0.0023764970 -0.0001890086 -0.0096516577 0.0126133360 0.0050510471 0.0115656017 0.0120590167 -0.0002876504 -0.0006938114 0.0009330300 0.0079285066 -0.0016684642 -0.0056781896 -0.0065260768 0.0025461208 -0.0027791628 -0.0015027311 0.0097347471 -0.0025091268 0.0007765623 -0.0016674809 0.0184560910 0.0186249210 -0.0351388845 -0.0039345246 -0.0445217859 0.0903284173 0.0066077698 -0.0074374428 0.0125297157 -0.0001671111 0.0000328185 0.0000186160 -0.0012649979 0.0064906117 0.0030106629 -0.0005088803 -0.0063556711 -0.0004283064 0.0046224578 0.0020192085 -0.0054284454 0.0088136216 0.0015911128 -0.0027705416 -0.0017460282 -0.0129457060 0.0336069419 -0.0031353561 -0.0095126455 0.0072519157 0.0330650319 0.0044365246 -0.0018822734 0.0036847278 -0.0278068394 0.0399379842 -0.0243732709 -0.0284878758 -0.0265439716 -0.0300864546 0.0014698923 0.0002602483 0.0000966272 -0.0015846499 0.0005597142 -0.0007280864 0.0054138523 -0.0026224611 0.0109762403 0.0049330141 0.0057910078 0.0015259213 -0.0663286358 -0.0221188239 0.0139912766 0.0025316131 -0.0664710472 -0.0236201463 0.0162002137 0.0098572210 0.0080720482 0.0033927528 -0.0013875013 -0.0134758683 -0.0007348300 -0.0514587670 0.0748177918 -0.0339996700 0.0653209503 0.0590039858 -0.0102267792 -0.0018098089 0.0015168179 0.0445969513 0.0221417465 0.0303961838 0.0402074896 0.0268039661 -0.0441832422 0.0003784427 -0.0054045702 -0.0004455167 -0.0005167264 -0.0038088770 -0.0002199183 0.0160851326 0.0228876896 0.0038830735 0.0071678684 0.0026551501 -0.0175889860 -0.0004382415 0.0058558572 0.0044678780 0.0124450417 -0.0165206420 -0.0467996094 0.0116187704 -0.0494070626 0.0080947388 -0.0009200761 -0.0040456967 -0.0016712577 -0.0080156955 0.0118047088 0.0269405348 -0.0069572652 0.0287777830 -0.0067037409 0.0014449747 0.0005414525 0.0017141237 -0.0037682701 0.0091559008 -0.0112296868 -0.0060443648 -0.0112206423 -0.0102918917 -0.0000453166 0.0007375287 0.0001156943 -0.0062585620 -0.0021942692 0.0005327536 0.0061564475 0.0007209730 -0.0021470407 0.0013142559 -0.0090445919 0.0013137321 0.0003787183 0.0001670129 -0.0003182660 -0.0038294620 0.0067585322 0.0017305281 0.0079856498 -0.0166194811 0.0000363161 0.0011857777 -0.0007895221 0.0006746429 0.0125129699 0.0089037720 -0.0011942601 0.0296176989 -0.0526308624 -0.0006069269 -0.0688259274 -0.0337821961 -0.0390048953 0.0238274464 -0.0388788200 0.0503828058 0.0006701944 -0.0612837159 -0.0408564218 -0.1456121023 0.5691009629 -0.0538085983 -0.0435883772 0.1679044203 0.5664730995 0.0308973227 -0.0088747185 0.0275041720 -0.1238233683 0.2585503603 -0.2030717783 -0.2044753595 -0.1737970765 -0.1836409774 0.0006761773 0.0088794688 -0.0080981089 0.0002240960 -0.0019789113 0.0042019876 0.0067677243 -0.0250630049 0.0524976163 0.0001083505 0.0017023876 -0.0003558683 -0.0162929301 -0.0061012497 0.0045786109 0.0023675979 -0.0206310787 -0.0000828411 0.0114552176 0.0032283915 0.0016839905 0.0002313851 0.0021187247 0.0009550565 -0.0116191185 -0.0004344454 -0.0030057992 0.0043218634 -0.0036058923 -0.0052188661 -0.0000401641 -0.0096137413 -0.0034922897 0.0183110550 0.0460149176 0.0608048553 -0.0048064765 0.0645644795 -0.0205642992 -0.0066448579 0.0128320267 -0.0002563849 -0.0118606073 -0.0124233808 0.0126192646 0.0703250084 0.1572131563 0.0382485537 0.1009852625 0.0352548099 -0.1680358335 0.0035850820 -0.0514247269 -0.0254256186 -0.1004003522 0.1140141197 0.3667306577 -0.1294909262 0.3895692587 -0.0659595811 -0.0049827638 0.0543936623 0.0225692794 0.1600990541 -0.1405221863 -0.3816524023 0.1163203767 -0.4147681249 0.1107618117 -0.0116231307 -0.0081978440 -0.0253134438 0.0409815562 -0.1217328399 0.1554396703 0.0680003064 0.1500795351 0.1488731384 0.0007173585 -0.0168732349 0.0003472510 0.1417294739 0.0296047311 -0.0341009908 -0.1507163264 0.0001523549 0.0250707026 -0.0309067009 0.2148112245 -0.0108074576 0.0007451186 -0.0002856819 0.0018370169 0.0048897469 -0.0117323488 -0.0037450704 -0.0088822252 0.0320336580 -0.0013686944 0.0008827304 -0.0036911756 0.0006317186 0.0014390617 0.0011444498 -0.0003826939 0.0041959157 -0.0020583884 -0.0000541846 -0.0132081108 -0.0040204940 -0.0002724651 0.0023749120 -0.0101782936 0.0078562457 -0.0002173478 -0.0046960847 -0.0030393568 -0.0117043928 0.0405101871 -0.0041138408 0.0007514006 0.0134436765 0.0410067009 0.0024467505 0.0004956230 0.0010275055 -0.0084226771 0.0162748246 -0.0115128604 -0.0164846420 -0.0111648358 -0.0124763872 -0.0009129085 -0.0010747891 0.0025945937 0.0003183436 -0.0001000947 -0.0005161909 0.0020666525 0.0093051026 -0.0120836710 -0.0085501621 -0.0043907686 -0.0111723923 0.0440669547 -0.0378999804 0.0858112944 -0.0109522176 0.0168242299 -0.0042915053 -0.0098472991 0.0626636280 0.0574868335 0.0094533796 0.0053353622 0.0285701450 -0.0206114993 0.1066236197 -0.1753990829 0.0118632387 -0.1585193444 -0.1483267585 0.0037951014 0.0034163227 -0.0005581160 -0.0145605772 -0.0302086380 -0.0390481784 -0.0443217238 -0.0226184742 0.0431558890 -0.0005224781 0.0049070249 -0.0051534126 0.0020605755 0.0043415559 0.0000193745 -0.0272613505 -0.0293344075 -0.0072198232 -0.0135700878 -0.0036634320 0.0260351792 0.0008479075 -0.0039122774 -0.0039743883 -0.0105966449 0.0119575070 0.0345190077 -0.0067844273 0.0356621130 -0.0062066055 0.0026707738 -0.0009753788 -0.0005002412 -0.0102360580 0.0026739432 0.0137398148 -0.0089250620 0.0133910328 -0.0065979678 -0.0004172830 0.0001223019 -0.0002580121 0.0000554856 -0.0007678903 0.0009051842 -0.0000162978 0.0006375601 0.0003216988 -0.0002709837 0.0010472686 0.0002027193 -0.0081475629 -0.0020762705 0.0014359952 0.0097848560 0.0003012968 -0.0021566869 0.0017300639 -0.0135877890 -0.0004709980 -0.0001302362 0.0003447908 0.0037630683 0.0023656919 -0.0077802475 -0.0012474984 -0.0059817505 0.0218878729 0.0014913245 -0.0006301683 0.0005983323 -0.0012582566 0.0013717195 0.0014839595 0.0287964422 -0.1270823281 -0.2251118715 0.0076360340 0.2495478748 -0.0045585524 -0.2366828031 -0.0208855483 0.2465576554 -0.1949940809 -0.0079729139 -0.0396922803 -0.0155611769 -0.0741897922 0.3099896364 -0.0232768748 0.0122392338 0.0890554113 0.2870833170 -0.0272127225 0.0122191748 -0.0451806378 0.2133458614 -0.3442753597 0.2247010630 0.2016020923 0.2185472084 0.2963756166 -0.0068248581 0.0026137804 0.0060974829 0.0032215015 -0.0030479493 0.0003221410 -0.0215709913 0.0224436218 -0.0437120808 0.0000062099 0.0010529934 0.0000168861 -0.0110698494 -0.0016157284 -0.0016515152 0.0027432521 -0.0138572337 0.0028574428 0.0103549422 -0.0006629550 -0.0015736881 -0.0003708269 0.0010540801 -0.0002983903 -0.0041268118 -0.0030992211 0.0046020212 0.0012658343 0.0030345347 0.0018259856 0.0012149149 -0.0034431651 -0.0015987101 0.0002305505 0.0152912480 0.0199108075 -0.0045667878 0.0197652564 -0.0038447721 -0.0028983671 0.0064810970 -0.0009321915 -0.0050288041 0.0030772111 -0.0002417278 0.0145646927 0.0139535910 0.0043097950 0.0373684764 -0.0025066083 -0.0183701593 0.0030684192 -0.0285332901 -0.0173854777 -0.0276048053 0.0786029504 0.2074984106 -0.0935960934 0.1871647654 -0.0446491358 0.0163994128 0.0107438722 0.0072653784 -0.0467803364 -0.0339071654 -0.0167925450 -0.0061353786 -0.0063089121 0.0031808896 0.0088352429 -0.0027731472 0.0663396417 -0.2039807299 0.3398244610 -0.4396167033 -0.1365833255 -0.3957241001 -0.3966853225 -0.0070592834 -0.0083280390 -0.0177238256 0.1605984006 0.2165763113 0.1652315207 0.0887605052 -0.1512810830 0.2183358555 0.0026884854 0.0783395328 -0.1481877142 0.0004056696 -0.0005100987 0.0013612015 0.0036810919 -0.0071768035 -0.0006549323 -0.0051043436 0.0146955200 0.0008429545 0.0002007268 -0.0012406621 0.0003890534 0.0003404601 0.0003053366 -0.0006932018 0.0044215074 0.0050280976 -0.0000597421 -0.0099192067 -0.0011283014 0.0053780118 0.0010229462 -0.0091440940 0.0067170886 0.0002609627 -0.0000958637 -0.0003938013 -0.0020484766 0.0012213129 -0.0007317361 0.0003929506 0.0010929427 0.0024183011 0.0002519083 0.0001192778 -0.0000068427 -0.0017785998 0.0022273142 -0.0013001214 -0.0022492324 -0.0012817711 -0.0018667549 -0.0000909160 -0.0002621935 0.0011664301 0.0000432669 -0.0000683880 -0.0003203606 -0.0007703405 0.0033259822 -0.0055355748 -0.0070540152 -0.0017314367 -0.0077397596 0.0167119951 -0.0241637920 0.0502763937 -0.0006648675 -0.0085775840 0.0113041041 0.0167479596 0.0370502966 0.0320875273 0.0028071384 0.0075763305 0.0268184840 -0.0221273384 0.0988846106 -0.1580024734 0.0357665539 -0.1464608305 -0.1403019656 0.0071746749 -0.0096924947 -0.0059086296 -0.0071676475 0.0320394789 0.0422157865 -0.0478434549 0.0550890122 0.0173830385 -0.0093851136 0.0200592019 -0.0124815784 -0.0135269607 0.0038111488 -0.0008562744 0.0425701378 0.0122293202 0.0120127413 0.0320696698 0.0011319331 -0.0305108728 0.0260248576 -0.0423542991 -0.0224025238 -0.1208060312 0.1095999385 0.3825071132 -0.2098050966 0.3612736070 -0.0873296348 0.0358228235 -0.0223770931 -0.0101862311 -0.1743027636 0.0804131521 0.2836265727 -0.1926300973 0.2617701921 -0.1254011055 0.0043618226 0.0037116742 -0.0127218171 -0.0173879550 -0.0314506682 0.0600153597 -0.0032953785 0.0328219257 0.0325843642 0.0008503439 0.0232018089 0.0140711127 -0.2362974921 -0.1520309592 -0.0566358263 0.1433763799 0.0856897053 -0.1577247915 0.0354309939 -0.2937327997 0.0645603204 0.0016320719 -0.0012717495 0.0111930991 0.0126327751 -0.0242027322 -0.0038674739 -0.0246451572 0.0583183024 0.0016214804 0.0002795150 -0.0033452440 0.0006027716 0.0046537715 0.0030266952 -0.0098942117 0.0512325525 0.0823849631 -0.0018023450 -0.1335179906 -0.0107831914 0.0869257828 0.0120197745 -0.1263042967 0.0836266225 0.0045820048 0.0007986081 -0.0050762151 -0.0204142564 0.0030189845 -0.0090112356 -0.0016124788 0.0088148797 0.0197649625 0.0020898107 -0.0006971797 0.0037691953 -0.0248706507 0.0352654982 -0.0204914181 -0.0213776759 -0.0207755420 -0.0317269747 0.0004924685 -0.0018120966 0.0028638798 -0.0007142344 0.0005962513 -0.0013334220 0.0021848501 0.0066879527 -0.0083390548 -0.0164163716 -0.0143812586 -0.0196546144 0.1532437535 -0.0503431994 0.1539242241 -0.0330712645 0.1212690389 -0.0127288656 -0.0761702607 0.1053298581 0.1020441257 0.0112343523 0.0078913439 0.0679731556 -0.0196997792 0.2699969858 -0.4334254912 0.0799984183 -0.3862815380 -0.3593528411 0.0055980533 0.0076392662 0.0018949125 -0.0141929367 -0.0699901258 -0.0861599825 -0.0724810841 -0.0479640144 0.0779990954 -0.0002676523 -0.0038913434 -0.0027967007 0.0007534914 0.0035104782 -0.0014396016 -0.0010362981 -0.0216927955 -0.0029951042 -0.0110505634 -0.0013198249 0.0198473577 -0.0105373269 0.0164345668 0.0098394359 0.0585167484 -0.0405443564 -0.1561631498 0.0826676464 -0.1479192631 0.0355632971 -0.0130594626 0.0082630305 0.0038521437 0.0621421455 -0.0313380684 -0.1054025804 0.0713464715 -0.0964777903 0.0464177113 -0.0021280380 -0.0019077887 0.0050465269 0.0081843362 0.0118737266 -0.0247133755 0.0024241156 -0.0124088338 -0.0124250365 -0.0003891136 -0.0095700655 -0.0055067657 0.0991623005 0.0623904988 0.0222543010 -0.0599294905 -0.0350121317 0.0650019552 -0.0147002273 0.1225464594 -0.0281540967 0.0007365176 0.0005284011 0.0034410156 0.0004855192 0.0003355631 0.0007143778 -0.0018410909 0.0000194803 0.0012253696 -0.0014350707 0.0039540585 -0.0037464994 0.0085460660 0.0053317554 -0.0170537157 0.0853649597 0.1471794105 -0.0032242200 -0.2333558853 -0.0178788930 0.1549688865 0.0203496214 -0.2223174244 0.1417195713 0.0078786979 -0.0001280281 -0.0101147281 -0.0348855683 0.0133654818 -0.0168667940 -0.0025458836 0.0179439636 0.0428118045 0.0028829857 -0.0018482965 0.0083328057 -0.0345192368 0.0623938660 -0.0450280260 -0.0364385353 -0.0367888981 -0.0537445503 0.0011822187 -0.0003222713 0.0001711566 -0.0010989869 0.0004943027 -0.0009015137 0.0014900897 -0.0016826970 0.0045057763 -0.0051843479 -0.0091161141 -0.0059360705 0.1081060252 -0.0057529951 0.0563357341 -0.0237531945 0.1104980356 -0.0174525569 -0.0774716953 0.0333054600 0.0367515389 0.0034984790 -0.0003298401 0.0239905266 -0.0051056642 0.0974634599 -0.1624655546 0.0385727372 -0.1387610419 -0.1263101218 -0.0013619288 0.0029307459 0.0020278420 0.0108705360 -0.0230678000 -0.0265768058 -0.0115073831 -0.0123449575 0.0149536335 0.0005286890 -0.0077133100 0.0002264183 -0.0000069917 -0.0044322060 -0.0004801137 0.0143839834 0.0247898571 0.0030182889 0.0151668496 -0.0011339447 -0.0169702054 0.0026337181 -0.0041348646 -0.0010693283 -0.0115295208 0.0093312733 0.0361202048 -0.0270211674 0.0316720604 -0.0093027407 0.0017868543 -0.0002264263 -0.0000039968 -0.0071204846 0.0018882527 0.0089374134 -0.0080539597 0.0077068364 -0.0043966789 0.0010719405 0.0005093031 0.0007699672 -0.0079006914 0.0063526109 -0.0049935622 -0.0038595831 -0.0075390788 -0.0075231083 0.0004848119 0.0018862593 0.0008277703 -0.0215268030 -0.0128315423 -0.0039703946 0.0110319991 0.0070715281 -0.0130916962 0.0031989489 -0.0246217628 0.0075027161 0.0006504899 0.0000897508 -0.0002047752 -0.0052899599 0.0101973293 0.0024899643 0.0118083524 -0.0250275018 -0.0003784288 0.0000084181 0.0015268425 -0.0013040051 -0.0166523605 -0.0159151508 0.0244695764 -0.1590565187 -0.2112719109 0.0011694742 0.4082806970 0.0433370669 -0.2219860801 -0.0352820812 0.3897068057 -0.2458089535 -0.0158208845 0.0112439692 0.0281899666 0.1000788124 -0.1018532718 0.0477894523 0.0174174506 -0.0515373603 -0.1584727464 0.0368336413 -0.0109729774 0.0316485721 -0.1992123385 0.3131487601 -0.1976545264 -0.2224389152 -0.2044278153 -0.2278396500 0.0036787226 0.0058829735 -0.0087990363 -0.0010301264 -0.0010792110 0.0021346799 0.0139882094 -0.0242271212 0.0516207692 -0.0028558899 0.0081438479 0.0020389059 -0.1099423514 0.0057932353 -0.0579545323 0.0347139463 -0.1397286918 0.0573024460 0.1328567075 -0.0297285420 -0.0368166544 -0.0065452382 0.0075254696 0.0068570985 0.0129477646 0.0290429486 -0.0194281935 0.0122524530 -0.0351698238 -0.0402070515 0.0073724417 -0.0034491327 -0.0037650444 -0.0262390020 0.0171920480 0.0180505084 -0.0242088519 0.0149195885 0.0142686269 -0.0043773317 0.0111193125 -0.0103054040 -0.0044323189 0.0071136074 -0.0007282845 -0.0048247341 -0.0373876754 -0.0030190908 -0.0080039693 -0.0039564077 0.0245378066 0.0036632093 -0.0044952082 -0.0030142938 -0.0038069915 0.0149549921 0.0368600545 0.0084906222 0.0459212877 -0.0032649063 0.0317790416 -0.0281965404 -0.0157218000 -0.1919941418 0.0860808175 0.3112259872 -0.1758108588 0.2979415283 -0.1271665698 -0.0110882209 -0.0208508854 -0.0168376018 0.0858843909 -0.0898397229 0.0485775069 0.0300542715 0.1019281510 0.1318797180 -0.0044824741 -0.0352523663 0.0028102552 0.4095969927 0.1266276003 -0.0542070743 -0.3134662403 -0.0434944227 0.1353794567 -0.0675891867 0.5234855485 -0.1007391376 0.0007408350 -0.0007864516 0.0081835545 0.0081400399 -0.0156455658 -0.0021080244 -0.0204036297 0.0385378571 0.0021986183 0.0001227315 -0.0021368421 0.0010259339 -0.0011714081 -0.0010718839 0.0013486579 -0.0069348701 -0.0131157215 0.0001950767 0.0234685050 0.0018621504 -0.0144584067 -0.0016556143 0.0235716857 -0.0120965666 -0.0009700373 0.0017756105 0.0020577144 0.0068941319 -0.0111715963 0.0032833669 0.0003158185 -0.0041924961 -0.0137129430 0.0024424254 -0.0009457520 0.0017386167 -0.0164730541 0.0202440239 -0.0094109830 -0.0122825017 -0.0127108499 -0.0154036240 0.0001422741 0.0001978605 -0.0001698251 0.0000922675 0.0000335632 0.0001693011 0.0012338139 -0.0002635016 0.0015312740 0.0101519879 -0.0287235964 -0.0095261100 0.4001278762 -0.0322456635 0.2320945014 -0.1262887523 0.5027793041 -0.2121013716 -0.4840709585 0.1216603095 0.1455232889 0.0250191966 -0.0236998667 -0.0267361092 -0.0805027008 -0.1283528732 0.0927125522 -0.0434444565 0.1473942995 0.1617578713 -0.0203415325 -0.0065826464 0.0032843810 0.0965133275 0.0245635941 0.0466997909 0.0619031536 0.0534374695 -0.0746764746 0.0044721067 -0.0106005955 0.0094026112 0.0056481772 -0.0067865335 0.0012144032 -0.0261264425 0.0247352295 -0.0051168752 0.0080761328 -0.0042349817 -0.0047848918 0.0030482279 -0.0061249538 -0.0046416942 -0.0235012229 0.0145470347 0.0566243017 -0.0177489220 0.0569723815 -0.0110755359 0.0122859947 -0.0087177007 -0.0048517829 -0.0668261013 0.0283022943 0.1050750213 -0.0635260358 0.0994741799 -0.0445332160 -0.0032551402 -0.0056156022 -0.0049657675 0.0211534375 -0.0242998046 0.0134137006 0.0082079704 0.0274219583 0.0346757308 -0.0013045950 -0.0082441284 0.0014203881 0.0992633819 0.0288083882 -0.0150918908 -0.0741279549 -0.0092172836 0.0308948830 -0.0160318721 0.1247310840 -0.0268895277 -0.0007509715 0.0005142952 -0.0085112932 -0.0087866460 0.0174637169 0.0031820321 0.0219802900 -0.0446095325 -0.0015070637 0.0004094189 0.0021845982 0.0002727497 0.0019676731 0.0015971837 -0.0021151292 0.0065599123 0.0244608575 -0.0006071260 -0.0365688609 -0.0012718138 0.0274605364 0.0016096957 -0.0390906198 0.0150963867 0.0023371388 -0.0033632966 -0.0031117535 -0.0141595927 0.0186881261 -0.0056884639 -0.0001936861 0.0061601631 0.0219306989 -0.0044540254 0.0017291408 -0.0033877049 0.0293009792 -0.0352717316 0.0160476887 0.0201636593 0.0219135032 0.0269999699 0.0011142466 -0.0013204780 0.0016992896 -0.0017799265 0.0005615452 -0.0017565402 -0.0003068292 0.0003796270 -0.0003559647 0.0001516090 0.0000263329 -0.0005505958 0.0011566564 -0.0036157665 0.0070167612 -0.0011970101 0.0012705693 -0.0034175441 -0.0041505574 0.0044394124 0.0041271491 0.0004957238 0.0002648849 -0.0001650261 -0.0042716379 -0.0023612449 0.0013687864 0.0000309707 0.0017633744 0.0015057071 0.0007258398 -0.0017008781 -0.0007563652 -0.0005158028 0.0056680317 0.0078895037 -0.0035983091 0.0083310050 -0.0004962473 -0.0018562996 0.0045233483 -0.0003310351 -0.0001253393 0.0040775518 0.0019693923 -0.0163384752 -0.0163154505 -0.0028574527 0.0048553319 -0.0016081217 0.0103408215 -0.0021693458 -0.0019980177 -0.0041327639 0.0094272351 0.0070905738 0.0021407684 0.0303844619 0.0070563559 0.0025776893 -0.0137668383 0.0005388557 0.0001398845 0.0099742516 -0.0094594774 -0.0307522394 0.0453436157 -0.0069069688 0.0265841074 0.0439768611 -0.0006202058 0.0338893678 -0.1421433850 0.1688495353 -0.1707162519 -0.1334102727 -0.1997970328 -0.1295075707 0.0417729320 -0.0085005746 0.0171255618 -0.1230102051 -0.3539240905 -0.3318379952 -0.4972093199 0.2627162726 -0.3059547128 -0.0319950625 0.2342474416 0.3456774026 0.0002241852 -0.0002934954 0.0009759787 0.0030744155 -0.0056630298 -0.0011914628 -0.0065930466 0.0125226585 0.0000719232 0.0000511764 -0.0004970457 0.0001564405 0.0000896509 0.0001092594 -0.0000115387 0.0003483931 0.0004804914 0.0000486158 -0.0016399611 -0.0002938971 0.0004807111 0.0000291880 -0.0016998612 0.0005365857 0.0001486235 -0.0000393604 -0.0001541779 -0.0010616276 0.0004863289 -0.0003822425 -0.0000309533 0.0002997609 0.0008905357 -0.0005048715 0.0003093429 -0.0007112205 0.0028215205 -0.0051371880 0.0037104807 0.0037692370 0.0033457197 0.0032669528 -0.0002004882 -0.0005260372 0.0010161763 -0.0000655152 0.0000944407 -0.0003559412 0.0006355399 0.0031244781 -0.0039713057 0.0015833729 0.0017205802 -0.0001991573 -0.0251071828 -0.0108013786 0.0085478206 0.0006801951 -0.0233845897 -0.0081038705 0.0056113922 0.0069273201 0.0056831650 0.0003169180 0.0005151049 -0.0017501753 0.0000659502 -0.0057909014 0.0097286361 -0.0033517483 0.0078032359 0.0058754296 -0.0002858400 -0.0000214812 0.0000901054 -0.0009555912 0.0015437865 0.0017113898 0.0019323557 0.0000180011 -0.0017218269 -0.0002065689 0.0000033466 -0.0012313704 0.0000558323 0.0003505260 -0.0000473066 -0.0012020472 -0.0014334842 -0.0003596155 0.0008917781 -0.0005328517 0.0015350387 -0.0001321865 -0.0001765214 -0.0001190801 0.0004422384 0.0002537640 0.0001106785 0.0006438617 0.0003757668 0.0000625711 -0.0000825474 0.0001571813 0.0000783006 0.0006174245 -0.0003459465 -0.0011431291 0.0006440430 -0.0011293070 0.0004619816 0.0000277022 0.0000058128 -0.0000153044 -0.0002220432 -0.0000112155 0.0001915637 -0.0000670268 0.0000284386 0.0000948990 -0.0000325781 -0.0000099205 -0.0000454399 0.0001018676 0.0003255610 0.0002900977 0.0002220335 -0.0002250510 0.0002657354 -0.0000228341 -0.0000166015 0.0000187769 0.0000582404 0.0000861204 0.0007769766 0.0000729076 -0.0004959577 0.0000586774 -0.0001807603 0.0016733929 0.0003383124 0.0000835160 -0.0001906617 0.0001613782 0.0410150358 -0.0301493937 0.0053111066 -0.5908052112 0.4064192041 -0.0417675417 0.0370473900 0.1365807771 0.4394194234 -0.0895320763 -0.0577151585 -0.4904178703 0.0269234427 -0.0146321000 -0.0012355172 -0.0483388652 0.0604550611 -0.0118337449 -0.0626043965 -0.0334765224 0.0419747350 -0.0065628002 0.0009550868 0.0027757511 0.0107205686 0.0032304486 -0.0171260704 -0.0110483174 -0.0022065134 0.0002999204 0.0004648213 0.0032671424 -0.0011870349 0.0016954264 -0.0019533560 0.0012211558 -0.0073460963 0.0026341252 -0.0079807663 0.0066798040 0.0053247091 -0.0173881548 -0.0358337575 -0.1367541650 0.2290312516 -0.0289365817 -0.0353322647 -0.1102028813 -0.0880034110 0.1500346305 0.1372082977 0.0161687308 0.0113682774 -0.0060842955 -0.1335003642 -0.0781907944 0.0551710290 -0.0184942326 0.0565886551 0.0431380527 0.0207769321 -0.0566832719 -0.0278457751 -0.0037812998 0.2193170749 0.2943362122 -0.1053171629 0.2975490182 -0.0395065337 -0.0619295924 0.1496106922 -0.0679521060 -0.0629435526 0.0669014919 -0.0077818926 0.2131762508 -0.2268048558 0.0459685992 -0.0593379135 0.0407436394 0.0334388089 -0.0053033723 0.0166631068 0.0167949745 0.1085515458 -0.0289079728 -0.1719194303 0.0620229893 -0.1615836974 0.0378127626 -0.0110170373 0.0035630721 0.0023031362 0.0464856074 -0.0137530349 -0.0628605995 0.0403718734 -0.0613703454 0.0287980177 0.0003805455 0.0019259746 0.0005028684 -0.0010308607 0.0025612333 0.0020241412 0.0012171956 -0.0021558372 -0.0061140065 -0.0025333643 0.0016111033 -0.0024063370 -0.0097722121 0.0205430729 0.0268551175 0.0449377466 -0.0171767955 0.0164526853 0.0044389575 -0.0356942807 -0.0134279992 0.0072732672 -0.0088795188 0.0661407581 0.1054521043 -0.1990619746 -0.0392528378 -0.2358235616 0.4596671269 0.0084839371 0.0041365341 -0.0206247506 0.0103492717 -0.0013993935 -0.0017097892 0.0029626685 -0.0177795502 -0.0349554652 0.0000745153 0.0406776264 -0.0007632684 -0.0341691625 -0.0035172292 0.0431106219 -0.0243491445 -0.0009045640 0.0058114341 0.0063954362 0.0017655120 -0.0277602105 0.0072116820 0.0085156205 -0.0064056701 -0.0328142796 0.0073989999 0.0020645815 -0.0029843746 -0.0661123971 0.0424042108 0.0127640932 -0.0236268161 -0.0260142071 -0.0508238584 -0.0001147121 -0.0191482744 0.0245208163 -0.0058103706 0.0066787606 -0.0113636701 0.0422990679 0.0633717892 -0.0586077469 0.0271237666 0.0275022988 -0.0367742587 -0.3885529733 -0.3736949124 0.5011981028 -0.0237337331 -0.3699400032 -0.2404421771 -0.0385963640 0.3423966342 0.3059522170 0.0236466800 0.0057439263 -0.0161312028 -0.0246668200 -0.0381887273 0.0343038648 -0.0605170332 0.0314533320 0.0084229697 -0.0136303287 0.0099829009 0.0094182121 0.0031453241 -0.0406241375 -0.0496537075 0.0398279025 -0.0605539281 -0.0100346349 0.0126726570 -0.0296559432 0.0156474725 0.0102833347 -0.0108256648 0.0009530334 -0.0345217597 0.0337015821 -0.0077060007 0.0073519217 -0.0077822010 -0.0019582850 0.0004289240 -0.0011217520 -0.0017999966 -0.0139060975 0.0013073618 0.0161163997 -0.0052991949 0.0142063771 -0.0036631131 0.0011149226 -0.0005334103 -0.0002476027 -0.0046502632 0.0013597208 0.0065142860 -0.0040207263 0.0066830811 -0.0029875434 -0.0003241111 -0.0001183568 -0.0001563289 0.0014703880 -0.0011949632 0.0005001167 0.0006935775 0.0012481649 0.0011165985 0.0001579644 -0.0000934023 0.0001355734 0.0009417539 -0.0006897727 -0.0010834984 -0.0023926976 0.0005573048 -0.0002324339 -0.0002226206 0.0021306584 0.0000690570 -0.0015656189 0.0018667680 -0.0136987768 -0.0177376583 0.0361094469 0.0068390324 0.0408711645 -0.0823664081 -0.0014161608 -0.0006303907 0.0045849356 -0.0030022251 -0.0012775894 -0.0000511001 0.0005069269 0.0129984321 -0.0057684867 0.0017178049 -0.0002196886 -0.0036185528 -0.0107415193 0.0013416471 0.0042021890 0.0096826054 -0.0045214389 0.0073669032 0.0045288627 0.0270424955 -0.0722476873 0.0073729558 0.0300870951 -0.0134227386 -0.0758446627 -0.0007458183 0.0003862923 0.0010763327 0.0062108832 -0.0012181413 -0.0023947541 0.0035730473 0.0009744427 -0.0028548691 0.0023844155 -0.0018394163 -0.0011413428 -0.0006811072 0.0018230692 -0.0018844412 0.0001849501 -0.0104768655 0.0171568385 -0.0000464812 0.0074338838 0.0086852978 -0.0142646520 0.0145556806 -0.0665697151 -0.0039380997 -0.0149786381 -0.0050381018 0.0026492641 -0.0402498522 -0.0431731559 -0.0036441514 -0.0014191841 0.0012600646 -0.0015385405 0.0253808979 -0.0431888155 0.0806967980 -0.0213009189 -0.0145034207 0.0020135320 0.0028923387 0.0215904685 -0.0171390642 -0.1127522290 -0.0997307208 0.0191988018 -0.0851112802 0.0538558152 -0.0326513290 0.1144101024 0.4327025161 -0.0144227624 0.0013253339 0.0107614866 0.0153932436 0.0347198114 0.0315310577 -0.0342409301 0.0381642289 -0.0731140633 -0.0004096017 0.0071753488 -0.0035660758 -0.0255945303 -0.0136109961 -0.0103696383 0.0212432732 -0.0099886929 0.0052959157 0.0045351148 -0.0025150448 0.0000500301 -0.0235305727 0.0131418982 0.0363111541 -0.0474135773 0.0359466744 -0.0173638754 -0.0002609993 -0.0011581626 -0.0024684149 -0.0042971696 -0.0028084287 0.0025646346 0.0025128155 0.0038252885 0.0001536080 0.0003497604 -0.0001663784 0.0009027306 0.0017152497 0.0001123687 0.0016817180 0.0017337514 0.0008643162 0.0002538540 0.0003634195 -0.0001103535 -0.0072476737 0.0029513760 -0.0284405262 -0.2372578219 0.0599504771 -0.0632935545 -0.0773218309 -0.0098403195 -0.0948331262 -0.0886563976 -0.0019328258 0.0035421459 -0.0384611986 0.0004764820 0.0048362978 0.0038390499 -0.0581640249 -0.0676099623 -0.0002906097 0.0213171486 -0.0036532779 -0.0304320713 -0.0127675419 -0.0017748968 -0.0513123565 0.0116130929 -0.0043840856 0.0025640363 -0.0726407871 0.0602602231 -0.0063438971 -0.0263666978 -0.0015575174 0.0680361118 -0.0109172632 0.0369159878 -0.0150672486 0.0201418979 0.0223135595 -0.0663833393 0.0480129533 -0.0247757240 -0.2630996630 0.1926298579 -0.2839028162 0.3313729987 -0.1604633289 0.1692629340 -0.1912233605 0.1561663930 0.1199167148 -0.4191673032 0.0011143975 0.0000373667 -0.0041487169 -0.0037733226 -0.0085952782 0.0390117532 0.0016451671 0.0022710626 -0.0080828638 -0.0168684455 0.0130821529 0.0146971408 -0.0050306239 -0.0012097428 -0.0023540399 0.0252395258 0.0175027709 -0.0210745790 0.0696980643 -0.0093595127 -0.0063653739 -0.0019820224 0.0044911439 0.0275889857 -0.0074212364 -0.1042611472 -0.0852661118 0.0312919104 -0.0659519931 0.0405005817 -0.0766179364 0.2235955676 0.5016668263 -0.0085992382 0.0102943722 0.0183934143 0.0201501824 0.0280208969 0.0436072015 -0.0606506224 0.0608279845 -0.1190613002 -0.0029865831 0.0091060209 -0.0046001957 -0.0370720145 -0.0265339191 -0.0132726089 0.0290580187 -0.0143311845 0.0064331717 0.0022862109 -0.0021943292 0.0001612142 -0.0036923862 0.0226366562 0.0375477092 -0.0451392791 0.0333938159 -0.0139273517 0.0011815953 -0.0006880622 -0.0037571058 -0.0103265994 -0.0005482821 0.0068938101 -0.0056380712 0.0023417986 0.0037528960 -0.0008707573 -0.0002970014 0.0007497681 0.0036210736 0.0020295376 0.0014719166 0.0069931486 0.0002815568 -0.0006564714 0.0010121515 -0.0017441599 -0.0059764632 0.0066976501 -0.0445050093 -0.2716719764 0.0697000697 -0.1607912061 -0.1042313942 -0.0943138767 -0.0055346921 -0.1226834791 0.0127760015 -0.0228870144 -0.0361437608 0.0010627255 -0.0021389756 -0.0014226533 0.0258921219 0.0420495135 0.0002287344 -0.0172121491 0.0027799374 0.0197649180 0.0064275742 -0.0012153111 0.0248180191 -0.0155711840 -0.0020745336 -0.0108500886 0.0952751983 -0.0288035215 0.0074283998 0.0277473266 0.0159857259 -0.0322756979 0.0215119476 -0.0190289698 0.0236693396 0.0613568962 -0.0257297649 -0.0774745127 -0.0533686275 0.0106046209 0.1881659249 -0.2502366795 0.2564269686 -0.3029554159 0.1778634807 -0.1726548123 0.1903046371 -0.0260522313 0.0915730083 0.2947110640 0.0000833488 0.0011183967 0.0014841837 0.0060941680 -0.0177881600 -0.0116875979 -0.0074276887 -0.0008577643 0.0028163599 0.0001377835 0.0073792518 -0.0087405030 0.0001369127 -0.0002990720 -0.0001771431 -0.0017726211 0.0031796582 0.0017252845 0.0001457428 0.0001081498 0.0003623770 0.0000110934 -0.0001149143 -0.0000441159 -0.0000252974 0.0009236368 -0.0006664366 0.0004590569 0.0002436304 0.0009163676 0.0004701354 -0.0001198200 -0.0000978300 0.0002005179 0.0006422974 0.0007486054 0.0022311368 0.0009150204 -0.0042414865 -0.0065466570 -0.0017691480 -0.0048504033 -0.0002193118 0.0003140543 -0.0000434905 0.0001889240 -0.0010431571 0.0005027734 -0.0001262670 -0.0001665427 0.0003149410 0.0000046398 0.0000927720 0.0000094614 0.0008604731 -0.0013869916 0.0009492138 0.0005092084 -0.0001344754 -0.0012363472 0.0000377278 0.0000906749 0.0000865901 -0.0000538051 -0.0008977752 -0.0004890706 -0.0002359070 0.0003382238 -0.0002822893 0.0000349030 0.0000387450 0.0000063784 0.0000700229 -0.0001685441 0.0001161672 -0.0001226258 -0.0002860297 -0.0001725600 -0.0003540707 -0.0000092507 -0.0000267753 -0.0002300385 0.0000006628 0.0001899219 -0.0005534702 0.0000029181 0.0009043305 -0.0009065207 0.0002720154 -0.0052557035 -0.0001412940 0.0002042998 -0.0000492183 0.0000771802 0.0007826769 0.0001001529 0.0007636059 -0.0012346489 -0.0060498414 0.0038769630 -0.0105893342 0.0028000640 -0.0047857836 0.0014725649 0.0017100520 -0.0003411813 -0.0002499332 -0.0003218107 0.0014235126 0.0001476800 0.0050526818 -0.0028850969 0.0050600521 0.0005495789 -0.0031003290 0.0057159930 -0.0010010495 0.0011289584 0.0039679467 -0.0035194206 0.0338635597 -0.0759776409 0.0176753394 0.0486069333 -0.0596496527 -0.0354397447 0.0007559309 -0.0007781316 0.0017084307 -0.5737692793 0.7122057208 0.3846580797 -0.0002445850 -0.0001291663 -0.0001944702 -0.0006282572 0.0031346744 0.0015318315 0.0035027702 0.0005183290 -0.0013831771 -0.0000062604 -0.0022105593 0.0021686057 -0.0000773366 0.0001395150 0.0001730743 0.0005431334 -0.0019990651 -0.0011191239 0.0001224275 0.0007466655 -0.0007495981 0.0002640641 0.0002309578 -0.0001475056 -0.0003313683 -0.0035054435 0.0033715350 -0.0023296397 -0.0006644316 -0.0028232973 0.0009776784 -0.0008273806 -0.0014729744 0.0239066899 0.0670048528 0.0105478630 -0.0536431696 0.0010266109 0.2398012697 -0.2277869888 -0.8086424527 -0.3633742700 0.0119948435 -0.0176084135 0.0001379765 -0.1169236318 0.2200448801 -0.1241238364 -0.0276934536 -0.0012890437 0.1270006461 -0.0000254812 0.0003629422 -0.0004743809 0.0033871984 -0.0100152964 0.0057172634 -0.0009514135 -0.0001125153 0.0004792134 0.0000017994 0.0004003295 -0.0000583823 -0.0008073995 -0.0016297208 -0.0015002677 -0.0003074141 -0.0019241588 0.0008705264 0.0001094453 0.0003068643 0.0000377651 0.0006178907 -0.0010567532 0.0009612976 -0.0005439863 -0.0024801031 -0.0008918105 -0.0011698343 0.0000911816 0.0000666242 -0.0000765173 -0.0000781702 0.0006182450 -0.0007785541 0.0011682425 -0.0004771374 -0.0027847838 -0.0008235009 0.0076394621 -0.0001941991 0.0003396179 0.0000332207 -0.0000071703 -0.0001878200 -0.0000106022 0.0000070745 0.0001618482 0.0009396856 -0.0008512751 0.0024048094 -0.0007230346 0.0008928222 -0.0001554823 -0.0001736180 0.0000223351 -0.0002179145 -0.0002133571 -0.0003168185 0.0000586193 0.0034962759 -0.0000565799 0.0013818934 -0.0006460754 0.0017617899 -0.0012882526 0.0016599900 -0.0083797660 -0.0126857117 -0.0088005931 -0.0123017641 0.0283946355 -0.0097263520 0.0008880979 0.0002109990 0.0004746481 -0.0002320391 0.0000761365 -0.0003268071 -0.0051893617 -0.0042985746 -0.0020217505 0.0006963987 0.0001582087 0.0008656342 0.0028231099 -0.0097679471 -0.0049493228 -0.0108491030 -0.0013396793 0.0042874131 -0.0000303960 0.0095281433 -0.0094515284 0.0001546457 -0.0003195540 -0.0003848986 -0.0016118516 0.0047765618 0.0027083381 -0.0001275225 -0.0014686980 0.0015425474 -0.0004231695 -0.0005496100 0.0002641735 0.0005062077 0.0069457674 -0.0063331527 0.0035111466 0.0011386779 0.0043904253 -0.0005184751 0.0007128144 0.0008220402 -0.0088595829 -0.0219013395 -0.0028603388 0.0199795869 0.0013304016 -0.0792473738 0.0771507101 0.2568232545 0.1146896450 0.0387398623 -0.0573979674 -0.0006031388 -0.3754127458 0.6779685241 -0.3801211436 -0.0885374087 0.0000359389 0.3790046487 0.0001012313 0.0027172334 -0.0000171810 0.0110253318 -0.0241960265 0.0150782941 -0.0000216355 -0.0012412790 -0.0051753630 -0.0018674285 0.0013572604 -0.0037895946 0.0036121593 0.0237834059 0.0117282106 0.0147749434 -0.0412933862 0.0282163592 -0.0001059496 0.0009273951 0.0007552644 -0.0007127955 0.0026927778 -0.0017396144 -0.0022178742 -0.0143893114 -0.0065759007 0.0037376512 0.0011386251 0.0010322495 0.0001143926 -0.0000171514 -0.0004120492 0.0005064694 -0.0000865377 0.0003310724 0.0011226156 -0.0001454542 -0.0074739738 0.0001761512 -0.0003380744 0.0000025970 0.0002899489 0.0004215726 0.0000151439 0.0001976123 -0.0000223982 -0.0033324382 0.0019536588 -0.0056992061 0.0019643073 -0.0053212177 0.0006628487 0.0012453926 0.0000358431 -0.0000208823 -0.0000222704 0.0000289878 0.0000012670 0.0001241985 -0.0003896499 0.0007658736 -0.0001604823 -0.0014174753 0.0006501406 -0.0014293247 0.0083306337 0.0129710609 0.0092689146 0.0085128623 -0.0205986327 0.0070875366 -0.0007733778 -0.0000617986 -0.0003253700 0.0003110561 -0.0001526880 0.0002827685 0.0021844016 0.0015384941 0.0001535141 0.0331777029 -0.0024344903 0.0383531323 0.1190521292 -0.3755155659 -0.1847425228 -0.5041987624 -0.0597804476 0.2016841499 0.0003223022 0.4725477188 -0.4647607049 -0.0070779504 0.0131667940 0.0118264584 0.0747666372 -0.2127966776 -0.1185737642 -0.0008462629 0.0440627267 -0.0330885128 -0.0011751937 -0.0004883266 -0.0004908610 0.0017888276 0.0074593008 -0.0064503422 0.0128783515 0.0048856548 0.0158763119 0.0000600682 -0.0002073014 -0.0001677693 0.0002243818 0.0006913691 0.0000724124 -0.0005563419 0.0000005108 0.0023377388 -0.0022123675 -0.0080738411 -0.0034727188 -0.0006131116 0.0009064088 0.0000097036 0.0061517331 -0.0108059685 0.0060884617 0.0013857593 0.0000148025 -0.0059660749 0.0000793092 -0.0001420904 -0.0000640613 -0.0006901611 0.0012700750 -0.0008677529 -0.0005385774 0.0001686783 0.0014142748 0.0002623588 -0.0000302954 0.0004899429 -0.0011045032 -0.0041986330 -0.0023268694 -0.0019656327 0.0046150637 -0.0032811931 0.0000846693 0.0000160036 -0.0001283175 0.0005652957 -0.0012245713 0.0009510353 0.0001796866 0.0012432421 0.0006545107 -0.0016433105 -0.0002201276 -0.0001686038 0.0000289936 0.0000228901 0.0000898861 0.0001594605 0.0001952117 0.0000277710 -0.0003503388 -0.0003541112 0.0009170609 -0.0000333554 -0.0001162298 -0.0001750262 -0.0007781782 -0.0003844175 -0.0000087767 -0.0003634742 -0.0000261381 0.0049599723 -0.0022123940 0.0062791527 -0.0020917745 0.0115389701 -0.0014679840 -0.0026979347 0.0005235201 -0.0010616388 -0.0002952460 -0.0013072194 -0.0001818099 0.0086953745 -0.0042043103 0.0121303440 -0.0053104394 0.0006837039 -0.0007546063 0.0006639143 -0.0024523091 -0.0040659403 -0.0026834063 -0.0055131302 0.0128517585 -0.0040985630 -0.0015725123 0.0014583650 -0.0002379683 0.0002510157 -0.0002851598 0.0005050669 0.0113957569 -0.0129635243 -0.0056030181 0.0042204634 0.0029097043 0.0149203098 0.0453366056 -0.1496199697 -0.0745801103 -0.0866229384 -0.0103781051 0.0313991696 -0.0016921120 0.1274598691 -0.1244508206 0.0203912821 -0.0424978507 -0.0490136340 -0.2488394954 0.7117118158 0.3953981038 0.0067145069 -0.2038896582 0.1755146545 0.0103011538 0.0195019517 -0.0008862466 -0.0039547773 -0.2027064177 0.1769527938 -0.1212900904 -0.0429650411 -0.1746927375 0.0002296271 -0.0004913414 0.0001844636 0.0000281332 0.0001547800 0.0000160093 -0.0001103748 -0.0000460439 0.0004632563 -0.0003983454 -0.0016198407 -0.0006645294 -0.0001126607 0.0001339618 0.0000710048 0.0010456285 -0.0016289653 0.0010260181 0.0004549594 -0.0000126191 -0.0019567329 0.0001249622 -0.0000969407 -0.0003330516 -0.0002152237 0.0004608227 -0.0004030779 -0.0015832629 0.0004711252 0.0043606035 0.0017642141 -0.0004005699 0.0030254251 -0.0072114561 -0.0254127180 -0.0140114403 -0.0136244111 0.0303713783 -0.0215886122 -0.0004646136 -0.0000319327 0.0001641402 -0.0012183252 0.0021685144 -0.0017049612 -0.0007014594 -0.0028590459 -0.0015079077 0.0075119675 0.0010151921 0.0010059158 -0.0000635138 -0.0000784019 -0.0000336992 0.0000771372 0.0001418062 -0.0000259614 -0.0001553467 -0.0001998384 0.0007342469 -0.0004163857 0.0010144190 0.0005441593 -0.0020868825 -0.0029562736 -0.0002816204 -0.0027109829 -0.0010144145 0.0272045363 -0.0142076290 0.0403670223 -0.0144552940 0.0409725102 -0.0046963859 -0.0096324901 0.0002903267 -0.0003272754 -0.0003576819 -0.0010710013 -0.0003616618 0.0070093324 -0.0015519933 0.0046061116 -0.0024382878 0.0007521218 -0.0006959007 0.0007303595 -0.0034211924 -0.0047095876 -0.0034764850 -0.0055093821 0.0130083775 -0.0045109526 -0.0007097087 0.0006237290 -0.0002208151 0.0001603306 -0.0001972458 0.0002572444 0.0047016177 -0.0050980347 -0.0020727963 -0.0000613046 0.0000337593 -0.0004610118 -0.0011066235 0.0035286302 0.0017837295 0.0016486220 0.0001848891 -0.0005752564 0.0000546002 -0.0040950103 0.0040084709 -0.0004797155 0.0010419502 0.0011617110 0.0060148939 -0.0171675822 -0.0095514215 -0.0002526373 0.0046144780 -0.0039769728 -0.0004284344 -0.0007247186 0.0000727529 0.0002451452 0.0077333522 -0.0068110381 0.0045810437 0.0016096485 0.0064314340 -0.0001145181 0.0000962655 0.0000535951 -0.0004543566 -0.0007409062 -0.0000601610 0.0007393676 -0.0000948188 -0.0036454559 0.0039021393 0.0105414310 0.0049066593 0.0018107480 -0.0027516331 -0.0008683915 -0.0156301890 0.0316891582 -0.0159078586 -0.0053515147 0.0001754662 0.0221677070 0.0013172952 0.0002247140 -0.0064792460 0.0069585660 -0.0134958214 0.0063289743 -0.0261797167 0.0077924499 0.0727239040 0.0323148749 -0.0072187329 0.0548533102 -0.1321987901 -0.4637704405 -0.2549042391 -0.2491344454 0.5532149848 -0.3927845696 -0.0119531858 -0.0008584950 0.0062913385 -0.0377063443 0.0714140781 -0.0560707888 -0.0195774233 -0.0891979750 -0.0474924200 0.1992997194 0.0269390979 0.0250816962 0.0000778998 -0.0000129207 -0.0000334074 0.0000711511 0.0000013447 -0.0000125649 0.0000142309 -0.0001106616 -0.0002687059 0.0000477388 -0.0000831723 -0.0000239722 0.0092179828 0.0141642827 0.0015279630 0.0131805104 0.0054323853 -0.1298624746 0.0679189383 -0.1927420364 0.0693336575 -0.1874219379 0.0214239992 0.0440063434 -0.0013570684 0.0006674025 0.0039933018 0.0085339036 0.0005847548 -0.0559858523 0.0043062386 -0.0109324805 0.0061189224 -0.0009393103 -0.0001958084 -0.0008607988 0.0076919969 0.0108894500 0.0079307828 0.0038387473 -0.0084744909 0.0028413474 -0.0004169445 0.0003106109 0.0001414019 0.0000667976 -0.0000618675 0.0000338777 0.0029082092 -0.0034030685 -0.0021619691 -0.0010195306 -0.0002628671 -0.0015928667 -0.0053438417 0.0173635583 0.0083991962 0.0166157595 0.0020202287 -0.0064972476 -0.0000004941 -0.0166085620 0.0161277214 -0.0013485500 0.0028575530 0.0033838389 0.0167535854 -0.0483656859 -0.0267216649 -0.0003676476 0.0145849014 -0.0123364473 -0.0012273505 -0.0025076185 0.0003594736 0.0006137412 0.0261780692 -0.0228160438 0.0138381646 0.0048988401 0.0196414609 -0.0000393906 0.0001444175 -0.0001783278 -0.0003430560 -0.0007402688 0.0000798502 0.0011504170 -0.0000078196 -0.0047666454 0.0027951642 0.0091365835 0.0040846873 0.0009403441 -0.0013713477 -0.0004064769 -0.0083486213 0.0159931295 -0.0083865430 -0.0028341391 0.0000801848 0.0117696845 0.0003550043 0.0002106868 -0.0021109340 0.0029784159 -0.0058034472 0.0029861068 -0.0081831062 0.0024492468 0.0229065538 0.0107105993 -0.0023871274 0.0181398493 -0.0438294976 -0.1535425973 -0.0843609209 -0.0825241724 0.1831008352 -0.1299787873 -0.0042107276 -0.0003189386 0.0023834548 -0.0139381947 0.0266086943 -0.0208743812 -0.0070645620 -0.0327386447 -0.0174327477 0.0709175028 0.0095785965 0.0088511410 -0.0000104782 -0.0000163598 0.0000659727 -0.0000352344 -0.0000304487 0.0000808518 0.0000196644 0.0001243340 -0.0007849087 0.0000703645 -0.0001573238 -0.0000330042 -0.0267233299 -0.0413121999 -0.0044744808 -0.0385395013 -0.0159388883 0.3786811338 -0.1981879665 0.5620644381 -0.2022361240 0.5451813902 -0.0623445127 -0.1279886477 0.0041694947 -0.0021849191 -0.0121865753 -0.0259229804 -0.0016591061 0.1706854958 -0.0137034143 0.0350019536 -0.0190037032 0.0010136824 0.0013721240 0.0007083904 -0.0120690674 -0.0157465246 -0.0116153135 -0.0010153289 -0.0007494375 0.0007373127 0.0006952246 -0.0007317821 -0.0003496441 -0.0000151297 0.0000909615 -0.0000065924 -0.0065375131 0.0083837969 0.0048316268 -0.0006091241 0.0000900468 -0.0006542839 -0.0019837385 0.0060695407 0.0030076692 0.0089473381 0.0010094006 -0.0036060487 0.0000005047 -0.0085239158 0.0083593892 -0.0000048240 0.0001571908 0.0000536793 0.0002501911 -0.0011126118 -0.0005239074 -0.0003048418 -0.0001147060 0.0001273296 -0.0003346767 -0.0013004972 0.0006598653 0.0005104247 0.0145885172 -0.0125077964 0.0033224163 0.0014603563 0.0047061807 0.0007728668 -0.0002053406 -0.0021924694 -0.0006678550 -0.0032797147 -0.0018974474 -0.0025044250 -0.0013366652 0.0057921018 0.0104439046 0.0390405086 0.0175926988 0.0006022914 -0.0006128492 -0.0008449723 -0.0047850576 0.0077665124 -0.0043679535 -0.0028300129 0.0002670930 0.0129945006 -0.0002598114 0.0003574459 0.0002535438 0.0016667991 -0.0033576460 0.0022745858 0.0022377822 -0.0005503065 -0.0051454891 0.0001759054 0.0001025927 0.0002412622 -0.0009249353 -0.0030589132 -0.0016785327 -0.0009626438 0.0019219760 -0.0013250516 -0.0004924123 -0.0000473795 0.0007202644 -0.0034449222 0.0069392776 -0.0054237316 -0.0014846921 -0.0078029191 -0.0041541453 0.0106025756 0.0014418447 0.0011991641 -0.0002167541 -0.0000189302 0.0008115548 0.0001340581 0.0005843252 0.0004249710 -0.0006233563 0.0003358145 0.0006234297 -0.0000551672 -0.0000500825 0.0001346198 -0.0000622346 0.0052000556 0.0025227823 0.0052185767 0.0022771082 -0.0603197717 0.0234804180 -0.0616564164 0.0239556510 -0.0272496415 0.0033640853 0.0059019041 0.0048399909 -0.0065455181 -0.0263987967 -0.0452099817 0.0004278077 0.3453614534 -0.0241998745 0.0686590392 -0.0321330678 0.0429068618 -0.0241441497 0.0438554335 -0.2436547218 -0.3806939261 -0.2678003009 -0.2636480734 0.6695982269 -0.2386084486 0.0031176674 -0.0045047622 -0.0027985132 -0.0002672694 0.0003968794 -0.0000926703 -0.0310674819 0.0444384205 0.0261079298 -0.0001500847 0.0000753750 -0.0001426173 -0.0003762443 0.0010826794 0.0004938048 0.0022002292 0.0002653240 -0.0009290394 -0.0000687021 -0.0021873946 0.0020807463 0.0001231245 -0.0000902983 -0.0002780367 -0.0011823007 0.0029802638 0.0017073667 -0.0000210663 -0.0018576982 0.0017556059 -0.0006478735 -0.0014402253 0.0004262060 0.0005689348 0.0153283177 -0.0133913303 0.0064736360 0.0022600441 0.0088982994 -0.0000856535 0.0001145642 -0.0001381759 -0.0000152484 -0.0007741024 -0.0013665561 -0.0033951968 -0.0007939719 0.0137812239 0.0034419508 0.0105367443 0.0045086237 0.0005408461 -0.0041215177 0.0092521137 -0.0283063144 0.0516037516 -0.0271655362 0.0205488152 -0.0026382286 -0.0851198101 0.0005628924 -0.0003060547 -0.0036642210 0.0039648262 -0.0038079701 0.0018516224 -0.0133712880 0.0041393065 0.0408319133 0.0077139964 -0.0047989315 0.0159807084 -0.0271954762 -0.0996217494 -0.0569043745 -0.0720033038 0.1603397274 -0.1172622435 0.0251559402 0.0079120928 -0.0432088547 0.2144914825 -0.4333949309 0.3392646302 0.0775682200 0.4149748847 0.2217644816 -0.5809363494 -0.0766100168 -0.0608854349 0.0000561953 -0.0000114843 0.0000560682 0.0000793197 0.0000053398 0.0000582673 -0.0001298179 0.0002815540 -0.0013225695 0.0000613903 -0.0001038793 -0.0000022302 -0.0001230859 -0.0001143578 0.0000550122 -0.0001141305 -0.0000578298 0.0005061481 -0.0006406068 0.0017967257 -0.0006221466 0.0022708252 -0.0002735710 -0.0005497488 0.0002716392 -0.0003438147 -0.0010236675 -0.0019009418 -0.0000019800 0.0138743480 -0.0014069697 0.0039837214 -0.0017578577 0.0004540756 -0.0003509216 0.0004542362 -0.0022662441 -0.0035832102 -0.0024742896 -0.0030709845 0.0078331706 -0.0028211046 -0.0000917943 -0.0000448391 -0.0000823751 0.0000546415 -0.0000286261 0.0000450195 -0.0001853923 0.0006412972 0.0002471489 -0.0008331388 -0.0014305066 -0.0048872253 -0.0149643180 0.0464017332 0.0231537524 0.0187165813 0.0017698962 -0.0043744211 0.0034985077 -0.0356863963 0.0373156316 -0.0080124644 0.0079048783 0.0217930400 0.0896513631 -0.2360748895 -0.1325906849 -0.0030504644 0.1397546666 -0.1276319363 0.0260474919 0.0582739788 -0.0150729266 -0.0211907306 -0.6039046196 0.5267361592 -0.2674373029 -0.0923151714 -0.3665428771 0.0012973448 -0.0024009469 0.0014095067 -0.0001922416 -0.0008059357 -0.0002790025 -0.0001670026 -0.0002038974 0.0003817811 0.0023769206 0.0094756884 0.0039776761 0.0004371967 -0.0007769374 0.0004636226 -0.0057827967 0.0097630064 -0.0054284192 0.0002139240 -0.0002048503 -0.0005544303 -0.0000395549 0.0001195106 -0.0001557411 0.0009403737 -0.0014042369 0.0009958139 -0.0002457172 0.0001149157 0.0011152779 0.0004545435 -0.0006548407 0.0007724659 -0.0008153873 -0.0025517025 -0.0013642357 -0.0048425886 0.0104325980 -0.0075505231 0.0002956915 0.0001291018 -0.0009195489 0.0044072819 -0.0088458761 0.0069633636 0.0016231741 0.0084901440 0.0045627766 -0.0094540441 -0.0012358681 -0.0009298439 -0.0000395097 -0.0001769499 -0.0005326453 -0.0000274324 0.0006299308 -0.0001640026 -0.0000404343 -0.0005862053 0.0018286376 -0.0014794243 0.0021228359 0.0008121956 -0.0001855405 0.0005282938 0.0006854182 0.0006437309 0.0002320658 -0.0094341883 0.0014304477 -0.0051568420 0.0019093261 0.0007619527 -0.0004854319 -0.0003290079 0.0023858099 -0.0030961271 -0.0076172246 -0.0149928691 -0.0000064009 0.1053459051 -0.0129247633 0.0361773209 -0.0155326958 -0.0012060070 0.0016699503 -0.0011683804 0.0038204541 0.0047395029 0.0036205139 0.0103231689 -0.0247434405 0.0090176992 -0.0002003265 -0.0001784413 0.0001531164 0.0000822515 0.0000153057 0.0000126960 -0.0004706816 0.0015679212 0.0000787385 -0.0000275376 0.0004730093 0.0003892795 0.0015831051 -0.0070033319 -0.0026935947 -0.0009593953 -0.0005154164 -0.0001158254 -0.0003001388 0.0014105396 -0.0010517179 0.0011102195 -0.0011952487 -0.0031848337 -0.0129767019 0.0349778950 0.0195889486 0.0009421361 -0.0200679071 0.0180213456 -0.0028795969 -0.0067324665 0.0017521694 0.0021723664 0.0688845663 -0.0599821422 0.0300322599 0.0102592317 0.0411642209 -0.0002885215 0.0000039549 0.0003171135 0.0001848265 0.0012602103 0.0008569463 0.0012352150 0.0005566946 -0.0042685832 -0.0039382107 -0.0150585266 -0.0065410879 -0.0004354983 0.0004660043 0.0005493489 0.0034757926 -0.0057009179 0.0032326035 0.0021290166 -0.0001244810 -0.0090676630 0.0002992172 -0.0004418885 -0.0000263258 -0.0023691450 0.0047318305 -0.0031770697 -0.0015090836 0.0002899252 0.0033039609 -0.0003511015 0.0003792156 -0.0005763484 0.0008291771 0.0026828203 0.0014244266 0.0034097790 -0.0073026517 0.0052655630 -0.0001259515 -0.0001651024 0.0005385349 -0.0027725155 0.0055893410 -0.0043977070 -0.0008029996 -0.0042176831 -0.0022500161 0.0049942158 0.0006244830 0.0004553527 0.0000759460 0.0001137681 -0.0000424222 0.0001156923 -0.0000068589 -0.0001124167 0.0001980736 -0.0002363384 0.0001869097 0.0001338468 -0.0001025451 -0.0001407569 -0.0000385383 0.0101388105 0.0066959099 0.0111668479 0.0051267624 -0.1272032045 0.0380339894 -0.1189167412 0.0430679538 -0.0433904714 0.0010698839 0.0086040050 0.0198830677 -0.0272057898 -0.0578042484 -0.1173553972 -0.0010249071 0.8153145995 -0.1122959695 0.3177549961 -0.1362610014 -0.0170626267 0.0133655833 -0.0167568182 0.0834810423 0.1233627172 0.0861526389 0.1136186013 -0.2823191504 0.1018942597 -0.0022432330 0.0022333841 0.0024432011 0.0000562029 -0.0001275428 0.0000450105 0.0192885892 -0.0245533688 -0.0155010280 0.0000380980 0.0000251495 -0.0000020462 0.0000827103 -0.0002644577 -0.0001318663 -0.0005139138 -0.0000511504 0.0001876854 -0.0000077188 0.0000306302 -0.0000316396 0.0000085939 0.0000091219 -0.0000266245 -0.0000616944 0.0001184859 0.0000801105 -0.0000165737 -0.0002456437 0.0002342855 -0.0000861572 -0.0002028190 0.0000406387 0.0000547146 0.0022073846 -0.0018266824 0.0009785365 0.0003465173 0.0013483853 -0.0001271668 -0.0000133309 -0.0002449598 0.0044485925 -0.0045370272 -0.0256441428 -0.0685361208 -0.0117850024 0.2913880372 0.0163916666 0.0636597528 0.0253367241 -0.0037607274 -0.0217852431 0.0810829153 -0.1630362370 0.2898209817 -0.1521152470 0.2094713906 -0.0241461706 -0.8212708574 0.0034608482 0.0007338889 -0.0121745504 0.0169181582 -0.0261165364 0.0169060796 -0.0557014280 0.0124085655 0.1338191328 -0.0014563089 0.0075933021 -0.0019934474 -0.0088485693 -0.0313453961 -0.0191461115 0.0245106630 -0.0558428859 0.0402857432 -0.0050934669 -0.0059536693 0.0036655927 -0.0311842110 0.0629947518 -0.0492336174 -0.0011977955 -0.0034249126 -0.0005568312 0.0880619771 0.0095628701 0.0076193037 0.0000884996 -0.0001138701 0.0000647077 0.0001651225 -0.0001953466 -0.0000140144 -0.0007704603 0.0024715887 -0.0060261625 0.0000112874 0.0000372479 0.0000131671 -0.0000677267 -0.0000633688 -0.0000338029 -0.0000924259 -0.0000425209 0.0009422242 -0.0002692745 0.0008427608 -0.0002963518 0.0011815789 -0.0000783943 -0.0002533565 -0.0000923237 0.0001464479 0.0002293183 0.0004654436 0.0000083679 -0.0032511111 0.0006166473 -0.0017084968 0.0007010883 0.0001247864 -0.0003508591 0.0000908363 0.0003321116 0.0007240950 0.0005460486 -0.0014002510 0.0034693341 -0.0013889620 0.0001505334 -0.0001836357 -0.0001845245 -0.0000260999 0.0000148921 0.0000072216 -0.0013638705 0.0023853128 0.0014623988 0.0000512203 -0.0000469886 0.0001336215 0.0002698798 -0.0008158665 -0.0003616871 -0.0008243761 -0.0001105959 0.0002914613 -0.0000278056 0.0014969540 -0.0014626163 0.0000457279 -0.0000008018 -0.0002078909 -0.0006142497 0.0016332905 0.0008886566 0.0001116798 -0.0016112160 0.0014318296 -0.0002006994 -0.0002155850 -0.0001385211 -0.0000069549 0.0015667421 -0.0014021475 0.0024772299 0.0007620364 0.0032543447 -0.0001259869 0.0000608785 0.0005357865 0.0004658072 -0.0003002757 -0.0037325174 -0.0081219557 -0.0011632172 0.0414125782 0.0038218882 0.0093513569 0.0028938844 -0.0015500167 -0.0010868843 0.0070076917 -0.0065782418 0.0126828673 -0.0050209967 0.0213650025 -0.0017467705 -0.0810089803 -0.0376773654 0.0489466367 0.0132099891 0.2431225600 -0.5413283900 0.3599205840 0.2044002753 -0.0407324835 -0.5117215930 0.0024211459 -0.0414168408 -0.0004169265 0.0809179284 0.2805853547 0.1630196836 -0.1008035287 0.2150281518 -0.1611052021 -0.0011484667 0.0050897064 0.0002001287 0.0104649181 -0.0226565677 0.0196370388 -0.0086050979 -0.0439609849 -0.0236587241 0.0118048619 0.0026048977 0.0021739418 -0.0002132787 -0.0000099107 -0.0002666657 -0.0001405301 -0.0002747504 -0.0001086215 -0.0000056096 0.0002141810 -0.0003710546 0.0000291007 0.0000130538 -0.0000437059 0.0000220751 0.0001174189 0.0000524588 0.0001542070 0.0000810063 -0.0012970607 0.0004844765 -0.0014813194 0.0005294653 -0.0008518923 0.0000505741 0.0001860317 0.0001242388 -0.0001911408 -0.0002310246 -0.0005822083 -0.0000108649 0.0036431953 -0.0007286749 0.0021430555 -0.0009182566 -0.0004159804 -0.0000097250 -0.0004191674 0.0029819698 0.0046595778 0.0032390042 0.0017173728 -0.0046107562 0.0016358727 0.0000543430 0.0001326690 0.0001236096 -0.0000567085 0.0000260613 -0.0000433468 0.0008257886 -0.0017396592 -0.0008273383 0.0000843461 -0.0000345558 -0.0000638090 -0.0001744931 0.0005930900 0.0003207134 -0.0007790512 -0.0000778363 0.0003174404 -0.0000082121 -0.0001044526 0.0001016254 0.0000126768 0.0000834793 -0.0000984633 -0.0001345978 0.0003113028 0.0001774398 0.0000140813 -0.0012581305 0.0011577457 0.0001048459 -0.0003544454 0.0004715996 0.0001716740 0.0046012035 -0.0039497906 -0.0015983631 -0.0004942692 -0.0019146013 0.0000763494 -0.0001854915 -0.0004584433 0.0000738088 -0.0000410268 0.0007467668 0.0008674036 -0.0001518190 -0.0081875533 -0.0016715445 -0.0020993876 -0.0002325884 0.0007330277 -0.0009519505 0.0026065324 -0.0100260889 0.0222361680 -0.0102806945 0.0053942829 -0.0003969523 -0.0188338450 0.0205602558 -0.0222379411 -0.0167701838 -0.1001962697 0.2209729741 -0.1486677668 -0.1405576767 0.0314320553 0.3460539696 -0.0016493016 -0.0802834792 -0.0066288801 0.1829704579 0.5978764733 0.3451680335 -0.1711417473 0.3616435414 -0.2692241656 -0.0022141089 0.0143492955 0.0025298853 0.0281526951 -0.0520857417 0.0405223880 -0.0251962130 -0.1258938979 -0.0680362233 0.0208672468 0.0064742531 0.0008600013 0.0001452729 0.0000291023 0.0002303114 -0.0000274765 0.0002054639 0.0000023856 -0.0001158943 0.0000061490 0.0008884313 -0.0000212158 0.0000514266 0.0000174088 -0.0001008891 0.0000489792 0.0000005258 -0.0000168233 0.0000033064 0.0000425604 0.0001756594 -0.0004979532 0.0001865888 0.0009978316 -0.0000909359 -0.0002354016 -0.0000156241 0.0000404219 -0.0000295628 -0.0000143152 -0.0000132150 0.0001992710 0.0001120855 -0.0004081536 0.0001547179 0.0002531120 0.0002154810 0.0002703564 -0.0025096056 -0.0038765754 -0.0027211144 -0.0003972348 0.0012521095 -0.0004039110 0.0000516562 -0.0001026667 -0.0000495259 -0.0000067294 0.0000104070 -0.0000034505 -0.0006877623 0.0012693163 0.0006820079 -0.0002659269 -0.0003537399 0.0003070612 -0.0002848756 0.0008845085 0.0004931125 0.0034975226 0.0003613033 -0.0013524742 -0.0000853949 0.0029405151 -0.0028708890 0.0000049852 0.0000016780 -0.0000205084 -0.0001046999 0.0002108199 0.0001475884 -0.0000125556 -0.0003151407 0.0003114822 0.0002653149 -0.0002376368 0.0005272674 0.0001444898 0.0039515165 -0.0031009898 -0.0029702300 -0.0009498805 -0.0037945561 -0.0004025062 -0.0007195054 -0.0011534326 0.0126259269 -0.0129821024 -0.0814762777 -0.2122468265 -0.0334263143 0.8884406484 0.0584246700 0.2023602076 0.0863814515 0.0009475027 0.0060710834 -0.0263754519 0.0522793844 -0.0867776770 0.0474596471 -0.0693555127 0.0058702791 0.2621527086 0.0006044321 -0.0049734848 0.0084085219 -0.0318892076 0.0657742815 -0.0428585622 0.0256808857 -0.0028862646 -0.0552106047 0.0004144637 -0.0014667670 0.0007566920 0.0014541574 0.0041545889 0.0024938667 -0.0059319026 0.0129311251 -0.0092888568 0.0014603859 0.0027215090 -0.0001709358 0.0076153624 -0.0147729148 0.0115052065 -0.0026331107 -0.0150219408 -0.0085373139 -0.0215683745 -0.0019794143 -0.0015640101 0.0002211467 -0.0002744975 0.0006653428 -0.0000084072 -0.0005140602 0.0032052306 0.0060459048 0.0043885700 -0.0390528587 -0.0000066150 0.0001723094 0.0000765393 0.0001127253 -0.0002337008 0.0001445717 0.0001414808 -0.0000080004 -0.0006037720 -0.0010246677 0.0030326814 -0.0011075791 0.0001775882 0.0000702575 0.0000588280 0.0000855314 0.0000121107 -0.0004598402 -0.0010855022 0.0001365998 0.0060741004 0.0005299514 -0.0008249633 0.0001902491 -0.0020544006 -0.0050373757 -0.0023498305 0.0303780764 0.0471111620 0.0342837044 -0.0064359289 0.0138479291 -0.0058917169 0.0005516954 -0.0003130215 -0.0005024955 -0.0001013072 0.0000136166 0.0000730173 -0.0033020723 0.0049626082 0.0029828643 -0.0030354405 -0.0021183654 0.0029438339 -0.0004804300 0.0004770557 0.0001544875 0.0372733113 0.0038090687 -0.0143515878 -0.0006419217 0.0216883356 -0.0212802831 0.0001065445 -0.0014245794 0.0008398150 -0.0014254257 0.0031986936 0.0021262047 0.0002921707 0.0137745059 -0.0122069787 -0.0028090375 0.0012291566 -0.0058666571 -0.0014281812 -0.0278219166 0.0241449090 0.0350207853 0.0123924661 0.0468952294 -0.0009713334 0.0003332553 0.0030183140 -0.0007461103 0.0007190320 0.0052504658 0.0143119134 0.0022310933 -0.0577509755 -0.0034932853 -0.0108840472 -0.0046231246 -0.0001627132 -0.0001001882 0.0012389791 -0.0011471354 0.0017538973 -0.0009450729 0.0036952844 -0.0001963563 -0.0137394510 0.0001662778 0.0005273506 -0.0015928186 0.0037379077 -0.0078946336 0.0050269334 -0.0060035523 0.0012510045 0.0137872309 -0.0001134552 -0.0000065202 -0.0002022669 0.0006062862 0.0017973036 0.0010333059 0.0007009903 -0.0015371329 0.0010589421 0.0001036769 -0.0001179605 0.0001850201 -0.0010604707 0.0021136648 -0.0016233820 -0.0001497174 -0.0007003635 -0.0003415041 -0.0000596606 -0.0000502548 -0.0000530456 0.0001543028 0.0001640502 -0.0010485869 -0.0004839107 -0.0008846430 -0.0007760399 0.0004537574 -0.0003535780 0.0028321501 0.0000731890 0.0000129894 -0.0002405795 0.0075463983 -0.0063684576 0.0029439716 0.0038537349 -0.0004348772 -0.0240313920 -0.0233530569 0.0746662531 -0.0267582103 -0.0641306610 0.0070839094 0.0162696479 -0.0028229990 0.0110263071 -0.0137650099 -0.0159423763 0.0026230608 0.1109359369 0.0496309445 -0.1402297803 0.0549237930 -0.0175056449 -0.0853903224 -0.0215332087 0.3898008848 0.5709194713 0.4247354953 -0.1851560478 0.4548737160 -0.1683033235 0.0030499684 -0.0023432150 -0.0031999634 0.0000118422 -0.0002691284 0.0005011740 -0.0282181709 0.0280287288 0.0179336817 0.0470972434 0.0522579847 -0.0488466543 0.0501307683 -0.1218709066 -0.0759443869 -0.6198241197 -0.0579063523 0.2374402534 0.0124976105 -0.4416759546 0.4238916278 0.0039348262 -0.0284916192 0.0113931635 -0.0442827937 0.1167315828 0.0684110491 -0.0009024113 0.2293094431 -0.2134878288 -0.0077013342 -0.0000751566 -0.0126874559 -0.0042019215 -0.0395076125 0.0341729447 0.0908004303 0.0328326103 0.1217558629 -0.0001442004 0.0002537821 -0.0002893259 0.0000833477 0.0000962709 -0.0003055276 -0.0008176450 -0.0001250158 0.0038961684 -0.0001630557 -0.0008613922 -0.0003450766 -0.0000474318 0.0000978779 -0.0001181265 0.0008490061 -0.0013274667 0.0007539560 -0.0002288040 0.0000499648 0.0007281705 -0.0000049750 -0.0000871665 0.0001812036 -0.0005760834 0.0011265440 -0.0007621738 0.0005520061 -0.0001314426 -0.0014283255 -0.0000191967 -0.0000955450 -0.0000361645 0.0003229216 0.0010035645 0.0005619344 -0.0000582850 0.0001252575 -0.0001096817 0.0001494463 0.0000234841 0.0000909698 -0.0003241589 0.0006825285 -0.0005388498 -0.0001402350 -0.0007803468 -0.0004138651 -0.0012964309 -0.0001671793 -0.0001244457 0.0001127943 0.0000348226 0.0001731196 -0.0000093686 -0.0001142663 0.0001436775 0.0000315114 0.0002445987 -0.0015260595 0.0000132898 -0.0001645510 0.0000601963 -0.0037099203 0.0026075122 -0.0005779015 -0.0009432665 0.0003169727 0.0052706612 0.0093183711 -0.0275126830 0.0102775846 0.0357181262 -0.0034816923 -0.0086477617 0.0003386733 -0.0012328116 0.0011730931 0.0011439627 0.0000326850 -0.0081445230 -0.0049533284 0.0140301370 -0.0057029126 -0.0005460435 -0.0034775114 -0.0007127498 0.0150388202 0.0215268158 0.0160782935 -0.0084053365 0.0200225809 -0.0070584854 -0.0000673295 0.0001887014 -0.0003471187 -0.0000119100 -0.0000951862 0.0002149862 0.0003241128 -0.0004908710 0.0004019507 -0.0051908846 -0.0029168712 0.0043847510 -0.0010519770 -0.0010698198 0.0004232536 0.0634247240 0.0058771091 -0.0243392835 -0.0008514359 0.0294414099 -0.0281781287 -0.0000380161 -0.0002489386 0.0003333590 0.0002962441 -0.0010282035 -0.0004220831 -0.0001550092 0.0041849966 -0.0035770914 -0.0031077503 0.0014664231 -0.0064624967 -0.0013610747 -0.0310412117 0.0271501957 0.0382891032 0.0140574561 0.0509083671 -0.0001525336 0.0001271984 0.0003250932 -0.0000622630 0.0000611027 0.0005435252 0.0014713930 0.0002268301 -0.0059126605 -0.0003153872 -0.0009996757 -0.0004302777 0.0000088334 -0.0000213310 0.0000446664 -0.0002015881 0.0002842721 -0.0001632531 0.0001512089 0.0000022888 -0.0004352817 0.0000379167 0.0001040850 -0.0003266301 0.0007548563 -0.0015181592 0.0009498442 -0.0012245287 0.0002635356 0.0029487141 -0.0000020362 0.0000571686 -0.0000044941 -0.0001203964 -0.0003867063 -0.0002035257 0.0001179183 -0.0002684236 0.0002136759 -0.0000837938 -0.0000316722 -0.0000622503 0.0001895645 -0.0004113919 0.0003237919 0.0001255823 0.0007011483 0.0003766322 0.0006654141 0.0000797001 0.0000677046 0.0000032637 0.0000438053 -0.0001190146 -0.0001129721 -0.0001935277 -0.0000735770 0.0001516806 0.0001018792 -0.0001374422 0.0000454264 -0.0001176280 -0.0000308176 -0.0674544737 0.0510579986 -0.0126340832 -0.0215291586 0.0050771915 0.1041848425 0.1847713230 -0.5558240083 0.2035293767 0.6406356059 -0.0598784413 -0.1564534839 0.0056005999 -0.0216256668 0.0220622608 0.0252282025 -0.0027409706 -0.1601964525 -0.0990688317 0.2676355565 -0.1050246794 -0.0015411217 -0.0152358016 -0.0025925689 0.0594165535 0.0862636472 0.0647322803 -0.0350695045 0.0916467879 -0.0327116753 0.0006599746 -0.0002175644 -0.0004217607 -0.0001074424 0.0000250632 0.0001151958 -0.0032018152 0.0026595203 0.0020134555 0.0138999792 0.0103923806 -0.0147621058 0.0003411508 0.0048545087 -0.0012786015 -0.1728179027 -0.0165087994 0.0654162098 0.0021394966 -0.1130916061 0.1082782621 -0.0026247784 0.0190186115 -0.0064910904 0.0323473341 -0.0871121037 -0.0510293522 0.0033652241 -0.1450332431 0.1365458599 0.0391628822 -0.0136838296 0.0772835722 0.0158413465 0.3399174662 -0.2977359593 -0.4768257810 -0.1753492213 -0.6348707871 -0.0002574417 -0.0001745857 0.0023851356 -0.0001202699 0.0000938055 0.0008821777 0.0023108912 0.0004742459 -0.0095944373 -0.0005337529 -0.0014230848 -0.0008589046 -0.0000086297 -0.0000173766 0.0001721854 -0.0003371102 0.0003152350 -0.0002275277 0.0005073020 -0.0000882685 -0.0018368965 -0.0001735927 0.0004452383 -0.0003718778 0.0024500742 -0.0053180448 0.0036882919 -0.0004808426 0.0002381761 0.0008319286 -0.0000013609 0.0003570121 0.0000074612 -0.0008543414 -0.0025321991 -0.0014687939 0.0008708446 -0.0017535799 0.0012844843 -0.0000412475 -0.0002238386 -0.0000017992 -0.0005718317 0.0011003316 -0.0008352462 0.0002941577 0.0014771346 0.0008078105 0.0007904398 0.0000662705 0.0000647709 0.0000565749 -0.0006147534 -0.0009965264 -0.0000327323 -0.0001217917 -0.0006234517 0.0000784221 -0.0006447464 0.0038361618 -0.0002896660 0.0011148113 -0.0000519534 -0.0060329970 0.0044089040 -0.0009531912 -0.0017192574 0.0004366138 0.0080704458 0.0158602217 -0.0472567904 0.0174144632 0.0581607790 -0.0054070303 -0.0140867531 0.0000965106 -0.0005531860 0.0007236308 0.0009819137 0.0000535340 -0.0058160647 -0.0027840640 0.0064155638 -0.0026287389 -0.0017678333 -0.0083264216 -0.0022406810 0.0389566002 0.0570065752 0.0423242098 -0.0173373802 0.0429852534 -0.0157993790 0.0004893332 -0.0003391383 -0.0002230807 -0.0000754561 0.0000572158 -0.0000049704 -0.0032229663 0.0030746415 0.0019786799 0.0002877986 0.0001155685 -0.0002770267 -0.0002547580 0.0008889937 0.0003480720 -0.0032068525 -0.0003398064 0.0011904937 0.0000904041 -0.0018574881 0.0018198924 -0.0001171304 0.0011970162 -0.0006607878 0.0013482298 -0.0037374905 -0.0021673622 0.0001887216 -0.0105856208 0.0098758220 -0.0000601743 0.0000842411 -0.0001446486 -0.0001212957 -0.0011350536 0.0009259029 0.0006814016 0.0001852658 0.0009200023 0.0001061293 0.0001778758 0.0004961673 -0.0005565403 0.0007144554 0.0042127191 0.0132725575 0.0021874931 -0.0459571016 -0.0037566060 -0.0125527311 -0.0063706883 0.0002511584 -0.0047534997 0.0129197706 -0.0303869338 0.0592496431 -0.0308184611 0.0271387070 -0.0043235368 -0.1183987412 -0.0032006996 -0.0333211978 0.0742618621 -0.2069167667 0.4549209633 -0.2907544634 0.2445570376 -0.0605265836 -0.5924008939 0.0009422804 -0.0057185312 0.0016337603 0.0078988578 0.0249919096 0.0135651550 -0.0243739712 0.0436037000 -0.0313675340 -0.0373071759 0.0110276100 -0.0199398382 0.1086147369 -0.2283624090 0.1767072854 0.0031426150 0.0509493469 0.0243142217 0.3364480641 0.0472140030 0.0315336511 -0.0002482782 0.0000847773 -0.0002180255 0.0002702473 0.0001042252 -0.0006311095 -0.0010764438 -0.0006086997 0.0059094940 -0.0000170142 0.0000136679 -0.0000533887 -0.0005711213 0.0003517781 0.0001345739 0.0000944223 0.0001074096 -0.0017709737 0.0012447054 -0.0038247554 0.0013810526 0.0054928070 -0.0005048672 -0.0012891788 -0.0003424297 0.0010871648 -0.0008065757 -0.0006552540 0.0000876785 0.0045876497 0.0046176774 -0.0129356210 0.0050912163 -0.0001793962 -0.0008896354 -0.0002477322 0.0043057550 0.0060197712 0.0045044365 -0.0017900407 0.0048214569 -0.0017749066 -0.0000745801 -0.0000541230 -0.0000636025 0.0000458781 -0.0000250328 0.0000249298 -0.0002741586 0.0006428592 0.0002621417 0.0000922573 0.0000345035 -0.0001521907 -0.0003204002 0.0009028535 0.0003800457 -0.0007908435 -0.0000989896 0.0002818833 0.0000452274 -0.0011735261 0.0011724117 -0.0001143198 0.0009875831 -0.0004647571 0.0013842297 -0.0037647651 -0.0021534480 0.0000886579 -0.0080920224 0.0075933538 -0.0000492808 0.0001633965 -0.0001438415 -0.0000998979 -0.0017030212 0.0014273914 0.0004023088 0.0001195113 0.0004954271 0.0000305414 0.0001523750 0.0002834812 -0.0003549211 0.0003154324 0.0023007877 0.0077263997 0.0012049719 -0.0260128360 -0.0016758624 -0.0058689831 -0.0029411201 0.0000895777 -0.0031843477 0.0084534579 -0.0201404616 0.0398142439 -0.0206563224 0.0180107546 -0.0034600446 -0.0780109842 -0.0018570977 -0.0171369635 0.0376641150 -0.1092347949 0.2339967137 -0.1488899574 0.1241539652 -0.0295162916 -0.3004471233 0.0044071042 -0.0084960593 0.0067275243 0.0000168798 0.0007940817 -0.0006285983 -0.0463243320 0.0982963552 -0.0726022299 0.0716377280 -0.0147143537 0.0380545181 -0.1909792179 0.4138185656 -0.3233763966 -0.0158240873 -0.1488046075 -0.0740097215 -0.6457999864 -0.0880688141 -0.0616928229 -0.0001134440 0.0000314030 -0.0001365431 0.0002114451 0.0000884133 -0.0005348954 -0.0009028645 -0.0006518164 0.0052601013 0.0000120294 -0.0000224376 -0.0000325995 -0.0005161632 0.0003168860 0.0000093819 -0.0000684524 0.0000450130 -0.0002153445 0.0011064121 -0.0034449110 0.0012401491 0.0051343548 -0.0004656062 -0.0012045751 -0.0002832758 0.0008467650 -0.0005416127 -0.0003305572 0.0000625172 0.0025513505 0.0035822228 -0.0100132462 0.0039723937 -0.0000072393 -0.0002076460 -0.0000412641 0.0008678984 0.0011378816 0.0009115836 -0.0004684299 0.0014567410 -0.0005526282 -0.0001502512 -0.0000102489 -0.0000561019 0.0000711048 -0.0000362983 0.0000391414 0.0001028462 0.0002366438 -0.0000013657 0.0231346102 -0.0023392876 -0.0199655097 -0.0409304115 0.1413652195 0.0673729009 -0.2373437556 -0.0253222645 0.0904118230 0.0060801254 -0.0875503104 0.0874214409 -0.0052425269 0.0593447659 -0.0354087169 0.0610928598 -0.1658688492 -0.0947134438 0.0057645555 -0.5439539996 0.5076536577 -0.0093096448 0.0094874822 -0.0225375050 -0.0089769309 -0.1440922442 0.1260690972 0.1123500184 0.0398784988 0.1451639531 0.0001578007 0.0001483512 -0.0010959384 0.0001044620 0.0000070116 -0.0004937707 -0.0013790054 -0.0002447223 0.0058606561 0.0000906671 0.0002094205 0.0000881382 0.0000418802 0.0001203815 -0.0005569976 0.0008410198 -0.0016648764 0.0008271987 -0.0014041614 0.0001777356 0.0056966579 0.0001275743 0.0009066847 -0.0021317149 0.0057495623 -0.0124076364 0.0078804958 -0.0071305532 0.0017301366 0.0174942736 -0.0000672488 0.0002762478 -0.0001044249 -0.0003494267 -0.0010286846 -0.0005476259 0.0011423457 -0.0022766631 0.0016843771 -0.0004033522 -0.0002248009 -0.0002747838 0.0005700548 -0.0014192730 0.0011170000 0.0006348383 0.0036459606 0.0019478799 0.0034763688 0.0004189345 0.0003642759 -0.0003555183 0.0001988016 0.0004114542 -0.0000716998 -0.0000614655 0.0004716519 0.0001135808 0.0007268909 -0.0039859469 0.0002557967 -0.0006137119 0.0001751759 -0.0158324961 0.0079490608 0.0080952644 0.0073673017 0.0044898147 -0.0941240525 0.0268275660 -0.0864587470 0.0314080564 0.1541250619 -0.0149587708 -0.0352987516 -0.0090837688 0.0291313095 -0.0216741189 -0.0196224403 0.0017479646 0.1277330511 0.1258443371 -0.3474538715 0.1357862856 -0.0002732224 0.0055237145 -0.0001321324 -0.0152350794 -0.0208460116 -0.0146282893 0.0191285205 -0.0439201650 0.0152166897 -0.0000781225 0.0000795760 -0.0000846869 0.0001809452 -0.0001450846 -0.0000812909 -0.0001319220 0.0000570245 -0.0001338050 0.0085660635 0.0040204259 -0.0092071349 -0.0082294536 0.0278612344 0.0117190855 -0.0962255470 -0.0104928215 0.0362817465 0.0032480035 -0.0667063336 0.0661505137 -0.0031325744 0.0334365268 -0.0191540542 0.0361203890 -0.0997485411 -0.0569869014 0.0038642920 -0.3001477023 0.2807944847 -0.0044722002 0.0051118939 -0.0114589455 -0.0050870725 -0.0759807643 0.0665611482 0.0551127105 0.0194472433 0.0713066605 0.0001115147 -0.0000915916 -0.0002094023 -0.0000998011 -0.0002072782 0.0003136050 0.0010223780 0.0000393520 -0.0045208465 0.0004799841 0.0020716802 0.0010008862 0.0000217114 -0.0000925408 0.0002018843 -0.0007800813 0.0012984738 -0.0006877855 0.0004919377 -0.0000498070 -0.0018114903 0.0000329637 -0.0003515390 0.0005760111 -0.0020338090 0.0045890026 -0.0029692797 0.0016635202 -0.0004625013 -0.0039153180 0.0000266209 -0.0001067268 0.0000419448 0.0001409928 0.0004005343 0.0002204424 -0.0004829132 0.0009128035 -0.0006663570 0.0001517415 0.0000097130 0.0000785337 -0.0002851265 0.0006802058 -0.0005440885 -0.0000907647 -0.0006072751 -0.0003007005 -0.0014186826 -0.0001847546 -0.0001324602 -0.0002151255 0.0001679483 0.0000851536 -0.0000627022 0.0000013534 -0.0000382306 0.0000199230 0.0000845328 0.0006043867 0.0000521178 -0.0002173599 0.0000370023 0.0289778867 -0.0143026153 -0.0163618070 -0.0152318087 -0.0087982833 0.1901338170 -0.0481680951 0.1566402694 -0.0567381305 -0.2814454756 0.0273732065 0.0642819213 0.0169698205 -0.0545092904 0.0405644987 0.0367248289 -0.0034669627 -0.2384610471 -0.2360293375 0.6489989778 -0.2547554154 0.0003171775 -0.0126797484 -0.0000613701 0.0369019664 0.0524114399 0.0375868456 -0.0423226365 0.0986686451 -0.0345097296 0.0011405421 -0.0010015453 0.0000456463 -0.0004696523 0.0002849402 -0.0000359421 -0.0059811723 0.0067877485 0.0036484743 0.0010210558 -0.0017856172 -0.0005269130 -0.0050210497 0.0167643173 0.0085873157 -0.0072148548 -0.0008258398 0.0028701292 -0.0000207378 0.0053496252 -0.0052213868 0.0001010230 -0.0006532206 0.0001922629 -0.0011178352 0.0034540395 0.0020399360 -0.0000466926 0.0044836456 -0.0041906448 -0.0000577452 -0.0001566020 0.0000235498 0.0000550597 0.0013825784 -0.0011879935 0.0005528120 0.0002261192 0.0008189628 0.0000106590 -0.0000853399 -0.0000743913 0.0001627917 -0.0001242982 -0.0007871599 -0.0026757682 -0.0003944526 0.0089891748 0.0008989117 0.0025164433 0.0010951283 0.0006046755 0.0003121582 -0.0041609940 0.0035165728 -0.0042950821 0.0020857533 -0.0137263436 0.0007935485 0.0485284703 0.0007681179 -0.0018781783 0.0015402945 -0.0121939078 0.0224338141 -0.0145054010 0.0025513566 0.0000631763 -0.0059044316 -0.0001713288 -0.0162811875 -0.0008857102 0.0326759942 0.1146405049 0.0672775871 -0.0323680933 0.0746729664 -0.0552468758 -0.0137880393 -0.0898098802 -0.0126225500 -0.1684507351 0.3300278174 -0.2714877131 0.1309261591 0.7256298307 0.4007516883 0.2068303068 0.0168168924 0.0196616807 0.0000065686 0.0000198756 0.0000504373 -0.0000297202 0.0000401906 0.0000255657 0.0001193676 -0.0000854000 0.0000554561 -0.0000049558 0.0000413436 -0.0000042350 0.0001096226 -0.0000518012 -0.0000510783 -0.0000463922 -0.0000382047 0.0005873945 -0.0001705609 0.0005673245 -0.0002127490 -0.0011017566 0.0001081552 0.0002514108 0.0000614888 -0.0001803739 0.0000989920 0.0000504860 -0.0000130230 -0.0003495512 -0.0007750956 0.0021584156 -0.0008483350 -0.0000086859 -0.0001186385 -0.0000096403 0.0004116912 0.0005725637 0.0004166023 -0.0003377177 0.0008654723 -0.0003225756 0.0001031610 -0.0000791636 0.0000099048 -0.0000293555 0.0000201954 -0.0000316698 -0.0005611965 0.0007278474 0.0003595911 -0.0454589377 0.0756557380 0.0251777530 0.2191482110 -0.7305468385 -0.3730408609 0.3280127007 0.0374011075 -0.1296138614 -0.0000822270 -0.2088329194 0.2036938708 -0.0031722064 0.0195731532 -0.0047804984 0.0330316069 -0.1094004075 -0.0653353306 0.0026735984 -0.1270772021 0.1177993621 -0.0001641864 0.0019082680 -0.0025151970 -0.0024344792 -0.0230160321 0.0205270197 0.0063779069 0.0024853159 0.0098004102 0.0004853221 -0.0009602313 -0.0004312577 0.0000140317 0.0000411553 -0.0001666402 -0.0004558099 -0.0001629698 0.0020581770 -0.0000791952 -0.0003055732 -0.0000198786 -0.0000042546 0.0000669892 -0.0001877348 0.0005521155 -0.0008434103 0.0004817402 -0.0005050114 0.0000649335 0.0018358732 0.0000496353 0.0000622404 -0.0002537684 0.0003831876 -0.0010858953 0.0005903792 -0.0009040263 0.0002153855 0.0023314493 -0.0000275000 -0.0004136821 -0.0000549773 0.0009666326 0.0032508081 0.0019003716 -0.0006526063 0.0015895598 -0.0011758353 -0.0004054657 -0.0021005576 -0.0003357040 -0.0037745718 0.0073233205 -0.0060518213 0.0030837768 0.0172515600 0.0095264637 0.0056295875 0.0004978631 0.0005405992 -0.0001673031 0.0001987335 0.0002529574 0.0002544281 0.0005726828 0.0001005344 -0.0007063050 -0.0006460022 0.0019155889 -0.0003361031 0.0002068875 -0.0001293294 -0.0027781210 -0.0013198305 0.0078161628 0.0075058111 0.0024219964 -0.0812270550 -0.0064035729 0.0175024965 -0.0055438509 0.0321649192 -0.0035722718 -0.0067714454 -0.0010077327 0.0030597361 -0.0015530840 -0.0011496971 0.0000424360 0.0050766230 0.0129185698 -0.0374848368 0.0144828284 0.0001878422 0.0010481629 0.0002488175 -0.0041088112 -0.0064152169 -0.0040561578 0.0025884536 -0.0066925637 0.0029549272 -0.0018322141 0.0012504198 -0.0009304575 0.0004244212 -0.0002401338 0.0009319603 0.0087669488 -0.0087497939 -0.0029776697 0.0034192033 -0.0059124950 -0.0021246756 -0.0177170301 0.0588409869 0.0299007503 -0.0238023767 -0.0027882788 0.0094557724 0.0000454860 0.0142695526 -0.0139903275 0.0001670331 -0.0009851890 0.0002253545 -0.0015471618 0.0055604084 0.0034263657 -0.0001323966 0.0063265086 -0.0056254510 0.0000529467 -0.0000209265 0.0001734369 0.0001259343 0.0007197492 -0.0006939877 -0.0009130242 -0.0004026954 -0.0013425466 -0.0000708591 0.0001564109 0.0001832407 -0.0000268975 -0.0000624774 0.0001603587 0.0004284052 0.0000420384 -0.0020139717 0.0001121013 0.0005261838 0.0002358136 0.0000281576 -0.0000685316 0.0000860834 -0.0005708543 0.0008977928 -0.0004910780 0.0001827862 -0.0000339313 -0.0006144971 -0.0000062841 -0.0000959967 0.0001931492 -0.0005508823 0.0013381313 -0.0008367552 0.0006307935 -0.0001684910 -0.0014377931 0.0000249684 0.0000107157 0.0000377153 -0.0001340353 -0.0004177491 -0.0002361348 -0.0001779428 0.0003073616 -0.0002099463 0.0001198271 0.0001389141 0.0000649966 0.0000875016 -0.0000863849 0.0000867914 -0.0002264107 -0.0014243776 -0.0007682388 -0.0012988480 -0.0001610186 -0.0001215832 0.0000085107 -0.0000243572 -0.0001055355 -0.0000881512 -0.0001250630 -0.0001606878 0.0001342518 0.0000234507 0.0010178233 0.0000279398 -0.0000376932 0.0000020235 -0.0206318594 -0.0209018414 0.0843669476 0.0779305537 0.0211766728 -0.8657952784 -0.0932425932 0.2640643866 -0.0875811532 0.2658581431 -0.0303499735 -0.0558677436 0.0035209099 -0.0156299716 0.0190967586 0.0206687065 -0.0028202657 -0.1515887296 -0.0660338031 0.1860696345 -0.0724848677 0.0005297537 -0.0026214489 0.0001241761 0.0056735491 0.0087202565 0.0056383429 -0.0108607388 0.0234126748 -0.0079092443 0.0008104542 -0.0004590606 0.0003474491 -0.0005613162 0.0000134668 -0.0001655554 -0.0016626543 0.0017123288 0.0004019395 -0.0001478315 0.0001018477 0.0001424199 0.0005378196 -0.0019184523 -0.0007161504 0.0013149507 0.0000933309 -0.0005357790 -0.0000599586 0.0005244319 -0.0004256302 -0.0000022205 -0.0000895985 0.0000859329 0.0002029618 -0.0002353576 -0.0002119887 -0.0000097250 0.0009994689 -0.0009677393 0.0001890531 0.0002733941 0.0002181591 -0.0002555778 0.0007399148 -0.0002111550 -0.0027162068 -0.0013660514 -0.0040743740 0.0008755793 -0.0044691092 -0.0003233117 -0.0018597395 0.0023803510 0.0029860642 0.0072312906 0.0019240027 -0.0353889297 -0.0016734886 -0.0177233240 -0.0058266082 -0.0003200992 -0.0000121009 0.0006684517 0.0018423852 -0.0005142143 -0.0000356151 0.0045626495 -0.0005736236 -0.0079819914 0.0000097647 -0.0001900999 0.0003622991 -0.0008781135 0.0023010930 -0.0008594424 0.0009686200 -0.0005265005 -0.0035921083 0.0000039163 -0.0000942211 0.0000063028 0.0003378144 0.0007509860 0.0003855206 -0.0003685782 0.0006422727 -0.0005458358 0.0001048675 -0.0001002178 0.0001253502 -0.0006479441 0.0016304365 -0.0012111749 -0.0000286848 -0.0003786646 -0.0000914788 -0.0004392221 -0.0000340700 -0.0001664894 0.0000511017 0.0001712573 -0.0007109091 -0.0049381158 -0.0078699483 0.0851154808 0.0584368941 0.1231858348 -0.9859872390 -0.0001274403 0.0003694952 -0.0000470384 0.0000577444 -0.0000340046 0.0000703681 0.0001204467 0.0000676408 -0.0008663019 -0.0000845073 0.0004092162 -0.0001139731 -0.0008449331 0.0000296035 0.0001625262 0.0000518804 -0.0001403769 0.0000328717 0.0000746204 -0.0000157644 -0.0002792633 -0.0006515699 0.0014577814 -0.0005892818 0.0001337187 -0.0002313220 -0.0000001337 0.0011207512 -0.0000381967 -0.0006631255 -0.0008809156 0.0021646703 -0.0004782223 0.0006329178 0.0003165850 0.0006665961 -0.0003474834 0.0002913449 -0.0004729057 0.0015320644 -0.0058431093 -0.0026757987</array>
                  </module>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.16377086" y3="-2.27205048" z3="0.57168656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="2.87393871" y3="-1.3179236" z3="1.0471873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.1923951" y3="-2.16394076" z3="0.18003084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.17953118" y3="-3.06268629" z3="1.34696829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.18916413" y3="-2.62087306" z3="-0.54877045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="2.50887444" y3="-3.5448517" z3="-1.07206549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.17497783" y3="-1.81433965" z3="-1.30193577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="0.75383175" y3="-2.83222789" z3="-0.06853828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="0.72215392" y3="-3.675396" z3="0.64761518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.11203508" y3="-3.07469622" z3="-0.93379554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.25908291" y3="-0.68749813" z3="-0.14104432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.42786145" y3="1.53025832" z3="-0.01834308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.16880594" y3="1.57136617" z3="-1.09283318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15272257" y3="2.51949169" z3="0.40881818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.95616892" y3="1.38447892" z3="0.10570514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.45031886" y3="2.25873782" z3="-0.3697885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.22961693" y3="1.41770132" z3="1.17869682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.49826759" y3="0.10086664" z3="-0.52409279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-3.10326355" y3="-0.76484648" z3="0.03806995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.08016563" y3="0.00048369" z3="-1.54141816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-5.02582705" y3="0.01437251" z3="-0.59110315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-5.30760232" y3="-0.91253484" z3="-1.12586501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-5.41613089" y3="0.851022" z3="-1.20385354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-5.7186786" y3="0.02777452" z3="0.77166936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-5.3273655" y3="-0.77931654" z3="1.41768826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-5.55333642" y3="0.9821675" z3="1.30116645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-6.81033389" y3="-0.11543514" z3="0.67262388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.26061855" y3="-0.79591142" z3="-1.37564038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.61544653" y3="0.44018411" z3="0.61984374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.69378375" y3="0.29652047" z3="1.70254176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.22930398" y3="-1.7325905" z3="0.62725089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="4.1746206" y3="2.55528195" z3="-0.30298211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="4.07609456" y3="2.52865863" z3="0.79559133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="3.84054112" y3="3.55042633" z3="-0.65413288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="5.2475451" y3="2.45344689" z3="-0.5510336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="3.34353052" y3="1.4396503" z3="-0.93476407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.50612164" y3="1.43196956" z3="-2.02957617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="3.69648854" y3="0.46636649" z3="-0.55291345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.84135485" y3="1.54430652" z3="-0.6598774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.31716308" y3="0.76833328" z3="-1.24808769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="1.45007671" y3="2.51739513" z3="-1.01540857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.50749481" y3="1.39316225" z3="0.83151478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="2.21147831" y3="0.72403807" z3="1.58581514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.89001838" y3="2.22578382" z3="1.251471">
                           <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 a31" order="S"/>
                        <bond atomRefs2="a8 a10" 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 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a42" 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:3.1638,-2.2721,.5717;2.8739,-1.3179,1.0472;4.1924,-2.1639,.18;3.1795,-3.0627,1.347;2.1892,-2.6209,-.5488;2.5089,-3.5449,-1.0721;2.175,-1.8143,-1.3019;.7538,-2.8322,-.0685;.7222,-3.6754,.6476;.112,-3.0747,-.9338;-.2591,-.6875,-.141;-1.4279,1.5303,-.0183;-1.1688,1.5714,-1.0928;-1.1527,2.5195,.4088;-2.9562,1.3845,.1057;-3.4503,2.2587,-.3698;-3.2296,1.4177,1.1787;-3.4983,.1009,-.5241;-3.1033,-.7648,.0381;-3.0802,.0005,-1.5414;-5.0258,.0144,-.5911;-5.3076,-.9125,-1.1259;-5.4161,.851,-1.2039;-5.7187,.0278,.7717;-5.3274,-.7793,1.4177;-5.5533,.9822,1.3012;-6.8103,-.1154,.6726;-.2606,-.7959,-1.3756;-.6154,.4402,.6198;-.6938,.2965,1.7025;.2293,-1.7326,.6273;4.1746,2.5553,-.303;4.0761,2.5287,.7956;3.8405,3.5504,-.6541;5.2475,2.4534,-.551;3.3435,1.4397,-.9348;3.5061,1.432,-2.0296;3.6965,.4664,-.5529;1.8414,1.5443,-.6599;1.3172,.7683,-1.2481;1.4501,2.5174,-1.0154;1.5075,1.3932,.8315;2.2115,.724,1.5858;.89,2.2258,1.2515;</scalar>
</formula>
</molecule>
                  <molecule cmlx:templateRef="atom" id="molecule-rot">
                     <atomArray>
                        <atom elementType="C" id="a1" x3="3.16377086" y3="-2.27205048" z3="0.57168656">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a2" x3="2.87393871" y3="-1.3179236" z3="1.0471873">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a3" x3="4.1923951" y3="-2.16394076" z3="0.18003084">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a4" x3="3.17953118" y3="-3.06268629" z3="1.34696829">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a5" x3="2.18916413" y3="-2.62087306" z3="-0.54877045">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a6" x3="2.50887444" y3="-3.5448517" z3="-1.07206549">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a7" x3="2.17497783" y3="-1.81433965" z3="-1.30193577">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a8" x3="0.75383175" y3="-2.83222789" z3="-0.06853828">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a9" x3="0.72215392" y3="-3.675396" z3="0.64761518">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a10" x3="0.11203508" y3="-3.07469622" z3="-0.93379554">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a11" x3="-0.25908291" y3="-0.68749813" z3="-0.14104432">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="C" id="a12" x3="-1.42786145" y3="1.53025832" z3="-0.01834308">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a13" x3="-1.16880594" y3="1.57136617" z3="-1.09283318">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a14" x3="-1.15272257" y3="2.51949169" z3="0.40881818">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a15" x3="-2.95616892" y3="1.38447892" z3="0.10570514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a16" x3="-3.45031886" y3="2.25873782" z3="-0.3697885">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a17" x3="-3.22961693" y3="1.41770132" z3="1.17869682">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a18" x3="-3.49826759" y3="0.10086664" z3="-0.52409279">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a19" x3="-3.10326355" y3="-0.76484648" z3="0.03806995">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a20" x3="-3.08016563" y3="0.00048369" z3="-1.54141816">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a21" x3="-5.02582705" y3="0.01437251" z3="-0.59110315">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a22" x3="-5.30760232" y3="-0.91253484" z3="-1.12586501">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a23" x3="-5.41613089" y3="0.851022" z3="-1.20385354">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a24" x3="-5.7186786" y3="0.02777452" z3="0.77166936">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a25" x3="-5.3273655" y3="-0.77931654" z3="1.41768826">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a26" x3="-5.55333642" y3="0.9821675" z3="1.30116645">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a27" x3="-6.81033389" y3="-0.11543514" z3="0.67262388">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a28" x3="-0.26061855" y3="-0.79591142" z3="-1.37564038">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a29" x3="-0.61544653" y3="0.44018411" z3="0.61984374">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a30" x3="-0.69378375" y3="0.29652047" z3="1.70254176">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="O" id="a31" x3="0.22930398" y3="-1.7325905" z3="0.62725089">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="C" id="a32" x3="4.1746206" y3="2.55528195" z3="-0.30298211">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a33" x3="4.07609456" y3="2.52865863" z3="0.79559133">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a34" x3="3.84054112" y3="3.55042633" z3="-0.65413288">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a35" x3="5.2475451" y3="2.45344689" z3="-0.5510336">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a36" x3="3.34353052" y3="1.4396503" z3="-0.93476407">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a37" x3="3.50612164" y3="1.43196956" z3="-2.02957617">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a38" x3="3.69648854" y3="0.46636649" z3="-0.55291345">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a39" x3="1.84135485" y3="1.54430652" z3="-0.6598774">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="H" id="a40" x3="1.31716308" y3="0.76833328" z3="-1.24808769">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="H" id="a41" x3="1.45007671" y3="2.51739513" z3="-1.01540857">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                        </atom>
                        <atom elementType="C" id="a42" x3="1.50749481" y3="1.39316225" z3="0.83151478">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                        </atom>
                        <atom elementType="O" id="a43" x3="2.21147831" y3="0.72403807" z3="1.58581514">
                           <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                        </atom>
                        <atom elementType="H" id="a44" x3="0.89001838" y3="2.22578382" z3="1.251471">
                           <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 a31" order="S"/>
                        <bond atomRefs2="a8 a10" 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 a33" order="S"/>
                        <bond atomRefs2="a32 a36" order="S"/>
                        <bond atomRefs2="a32 a34" order="S"/>
                        <bond atomRefs2="a36 a37" order="S"/>
                        <bond atomRefs2="a36 a39" order="S"/>
                        <bond atomRefs2="a36 a38" order="S"/>
                        <bond atomRefs2="a39 a40" order="S"/>
                        <bond atomRefs2="a39 a41" order="S"/>
                        <bond atomRefs2="a39 a42" 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:3.1638,-2.2721,.5717;2.8739,-1.3179,1.0472;4.1924,-2.1639,.18;3.1795,-3.0627,1.347;2.1892,-2.6209,-.5488;2.5089,-3.5449,-1.0721;2.175,-1.8143,-1.3019;.7538,-2.8322,-.0685;.7222,-3.6754,.6476;.112,-3.0747,-.9338;-.2591,-.6875,-.141;-1.4279,1.5303,-.0183;-1.1688,1.5714,-1.0928;-1.1527,2.5195,.4088;-2.9562,1.3845,.1057;-3.4503,2.2587,-.3698;-3.2296,1.4177,1.1787;-3.4983,.1009,-.5241;-3.1033,-.7648,.0381;-3.0802,.0005,-1.5414;-5.0258,.0144,-.5911;-5.3076,-.9125,-1.1259;-5.4161,.851,-1.2039;-5.7187,.0278,.7717;-5.3274,-.7793,1.4177;-5.5533,.9822,1.3012;-6.8103,-.1154,.6726;-.2606,-.7959,-1.3756;-.6154,.4402,.6198;-.6938,.2965,1.7025;.2293,-1.7326,.6273;4.1746,2.5553,-.303;4.0761,2.5287,.7956;3.8405,3.5504,-.6541;5.2475,2.4534,-.551;3.3435,1.4397,-.9348;3.5061,1.432,-2.0296;3.6965,.4664,-.5529;1.8414,1.5443,-.6599;1.3172,.7683,-1.2481;1.4501,2.5174,-1.0154;1.5075,1.3932,.8315;2.2115,.724,1.5858;.89,2.2258,1.2515;</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">-774.605224864959</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.394207695815</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.211017169144</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">0.411850496797</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415627235074</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.189597629885</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">0.000053691242</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">0.000117639596</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.344415125713</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.260809739246</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">-774.605224864959</scalar>
                     <scalar cmlx:templateRef="zpe" dataType="xsd:double" dictRef="cc:zpe.correction" units="nonsi:hartree">0.394207695815</scalar>
                     <scalar cmlx:templateRef="elec-zpe" dataType="xsd:double" dictRef="cc:zpe.sumelectzpe" units="nonsi:hartree">-774.211017169144</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">0.411850496797</scalar>
                     <scalar cmlx:templateRef="enthalpy-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrenthalpy" units="nonsi:hartree">0.415627235074</scalar>
                     <scalar cmlx:templateRef="enthalpy" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalent" units="nonsi:hartree">-774.189597629885</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">0.000053691242</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">0.000117639596</scalar>
                     <scalar cmlx:templateRef="gibbs-corr" dataType="xsd:double" dictRef="cc:zpe.thermalcorrgfe" units="nonsi:hartree">0.344415125713</scalar>
                     <scalar cmlx:templateRef="gibbs" dataType="xsd:double" dictRef="cc:zpe.sumelectthermalfe" units="nonsi:hartree">-774.260809739246</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule cmlx:templateRef="atom" id="molecule">
               <atomArray>
                  <atom elementType="C" id="a1" x3="-3.97655145" y3="-1.47757124" z3="10.54234636">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a2" x3="-3.53218414" y3="-0.58002407" z3="10.07607552">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a3" x3="-3.80373721" y3="-1.42112952" z3="11.63326309">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a4" x3="-5.07078187" y3="-1.45870289" z3="10.37287984">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a5" x3="-3.3518846" y3="-2.74037078" z3="9.95746344">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a6" x3="-3.74746916" y3="-3.64374622" z3="10.46462672">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a7" x3="-2.26050454" y3="-2.73273295" z3="10.12112958">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a8" x3="-3.59477379" y3="-2.90596716" z3="8.4577783">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a9" x3="-4.68200032" y3="-2.97552944" z3="8.26307012">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a10" x3="-3.10991899" y3="-3.83531592" z3="8.11051659">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a11" x3="-1.79556086" y3="-1.77871897" z3="7.39793712">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="C" id="a12" x3="-0.04464063" y3="-0.50513759" z3="6.12836579">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a13" x3="0.64466291" y3="-1.1651769" z3="6.68741617">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a14" x3="0.36802195" y3="0.5240137" z3="6.21385267">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a15" x3="0.00777972" y3="-0.8997865" z3="4.64045863">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a16" x3="1.0444257" y3="-0.77306175" z3="4.26110003">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a17" x3="-0.62310049" y3="-0.19476315" z3="4.06415933">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a18" x3="-0.44926926" y3="-2.3346163" z3="4.37485267">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a19" x3="-1.52034992" y3="-2.4198477" z3="4.63376616">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a20" x3="0.07265934" y3="-3.00915031" z3="5.07658717">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a21" x3="-0.22854285" y3="-2.82330064" z3="2.94032243">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a22" x3="-0.52382385" y3="-3.88785508" z3="2.87662189">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a23" x3="0.85316468" y3="-2.79173541" z3="2.70221543">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a24" x3="-0.99659257" y3="-2.03396527" z3="1.87993519">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a25" x3="-2.07818331" y3="-2.0222297" z3="2.10772037">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a26" x3="-0.65908931" y3="-0.98400545" z3="1.83253163">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a27" x3="-0.86595896" y3="-2.47340336" z3="0.87402301">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a28" x3="-1.07182025" y3="-2.71628323" z3="7.76284265">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a29" x3="-1.3977018" y3="-0.58206669" z3="6.77556713">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a30" x3="-2.19702197" y3="0.06064203" z3="6.3921304">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="O" id="a31" x3="-3.14877633" y3="-1.81591635" z3="7.6953284">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="C" id="a32" x3="0.01661059" y3="1.38844163" z3="11.50703698">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a33" x3="-0.70298158" y3="2.11537635" z3="11.09347585">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a34" x3="1.0367309" y3="1.72324619" z3="11.23779964">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a35" x3="-0.06692672" y3="1.41636532" z3="12.60944739">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a36" x3="-0.26880825" y3="-0.00821124" z3="10.95713702">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a37" x3="0.41275151" y3="-0.73932234" z3="11.43259601">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a38" x3="-1.29567567" y3="-0.30216457" z3="11.23427485">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a39" x3="-0.13284773" y3="-0.12335164" z3="9.43683943">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="H" id="a40" x3="-0.24299515" y3="-1.18545645" z3="9.14925686">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="H" id="a41" x3="0.88278854" y3="0.17927424" z3="9.11543162">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">1</scalar>
                  </atom>
                  <atom elementType="C" id="a42" x3="-1.16350089" y3="0.7363969" z3="8.69041846">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">6</scalar>
                  </atom>
                  <atom elementType="O" id="a43" x3="-2.26258341" y3="0.9947302" z3="9.17783049">
                     <scalar dataType="xsd:integer" dictRef="cc:atomicNumber">8</scalar>
                  </atom>
                  <atom elementType="H" id="a44" x3="-0.72139979" y3="1.43151756" z3="7.93394444">
                     <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 a8" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a9" 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 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 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 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" 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:-3.9766,-1.4776,10.5423;-3.5322,-.58,10.0761;-3.8037,-1.4211,11.6333;-5.0708,-1.4587,10.3729;-3.3519,-2.7404,9.9575;-3.7475,-3.6437,10.4646;-2.2605,-2.7327,10.1211;-3.5948,-2.906,8.4578;-4.682,-2.9755,8.2631;-3.1099,-3.8353,8.1105;-1.7956,-1.7787,7.3979;-.0446,-.5051,6.1284;.6447,-1.1652,6.6874;.368,.524,6.2139;.0078,-.8998,4.6405;1.0444,-.7731,4.2611;-.6231,-.1948,4.0642;-.4493,-2.3346,4.3749;-1.5203,-2.4198,4.6338;.0727,-3.0092,5.0766;-.2285,-2.8233,2.9403;-.5238,-3.8879,2.8766;.8532,-2.7917,2.7022;-.9966,-2.034,1.8799;-2.0782,-2.0222,2.1077;-.6591,-.984,1.8325;-.866,-2.4734,.874;-1.0718,-2.7163,7.7628;-1.3977,-.5821,6.7756;-2.197,.0606,6.3921;-3.1488,-1.8159,7.6953;.0166,1.3884,11.507;-.703,2.1154,11.0935;1.0367,1.7232,11.2378;-.0669,1.4164,12.6094;-.2688,-.0082,10.9571;.4128,-.7393,11.4326;-1.2957,-.3022,11.2343;-.1328,-.1234,9.4368;-.243,-1.1855,9.1493;.8828,.1793,9.1154;-1.1635,.7364,8.6904;-2.2626,.9947,9.1778;-.7214,1.4315,7.9339;</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">-774.605224864959</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">-0.000001598832 0.000003651752 0.000001160911 -0.000002566278 -0.000005025216 0.000001596630 -0.000000315237 0.000000523181 -0.000003928509 0.000000907816 0.000000806542 0.000001688904 0.000002049675 -0.000001151874 -0.000003409083 0.000003355162 0.000004426163 -0.000001980835 0.000000514837 0.000001195212 -0.000000906591 0.000000695913 0.000005240271 -0.000000051956 0.000005662180 0.000001269321 0.000001822834 0.000001896120 0.000001316613 0.000000225470 0.000009036038 -0.000002051699 0.000003266706 0.000012400939 0.000003031233 0.000005043126 -0.000010520696 0.000010327921 -0.000007802016 -0.000004010251 -0.000013832977 -0.000001207036 0.000000207092 0.000002361519 0.000006473657 0.000003291937 0.000002184422 -0.000001033501 -0.000002675461 -0.000000964606 -0.000001362452 -0.000004098753 0.000000607991 0.000000006529 0.000001213587 -0.000001987240 0.000000882436 0.000003429117 -0.000001298996 0.000004793241 -0.000000564532 -0.000001792038 -0.000006690711 0.000001667295 0.000004028543 -0.000000934079 -0.000004399269 -0.000001502266 0.000001660474 0.000000513982 0.000004270942 0.000001988309 0.000007362478 0.000002342783 -0.000001165511 -0.000002196453 -0.000012386396 0.000003915850 0.000000950914 -0.000000389629 0.000003945222 -0.000004333300 0.000011825125 -0.000007182184 0.000000879372 -0.000007558425 0.000003495542 -0.000001633067 -0.000001411580 -0.000000200785 -0.000009096606 -0.000012100765 0.000009268248 -0.000046755624 0.000011212663 0.000000718691 0.000010271119 -0.000004913072 0.000002447197 0.000030212841 0.000002971549 -0.000013101335 -0.000000824684 0.000000394223 -0.000001593708 -0.000026071250 -0.000001193059 -0.000002045414 0.000012563138 -0.000020630768 -0.000001365684 -0.000008900113 0.000007906893 0.000010467900 0.000009112599 0.000019939423 0.000006445294 0.000005701953 -0.000006371365 -0.000008268333 0.000000881624 -0.000003168132 -0.000006526607 -0.000005036011 0.000009822330 0.000006795143 0.000018033066 -0.000004201918 -0.000014682002 -0.000007214377 -0.000007724593 0.000007330017</array>
               <array cmlx:templateRef="hess" dataType="xsd:double" dictRef="cc:hessianmatrix" size="8778">0.561155574 0.034654358 0.525285092 0.010601391 -0.029577799 0.568945507 -0.097374243 -0.090499853 0.045966459 0.099728369 -0.087840287 -0.228198138 0.093052934 0.089606809 0.244421273 0.045604950 0.094852390 -0.101285961 -0.049231449 -0.097141036 -0.056102938 -0.002289086 -0.042352548 0.002651946 0.002913601 -0.001677450 -0.047501477 -0.007742278 0.007254874 0.004760342 -0.041461516 -0.010156868 -0.302042927 -0.003492125 -0.003116416 -0.298338739 0.000341179 -0.039862691 -0.009944966 0.002739535 -0.001560362 -0.048432398 0.000261631 -0.023883409 0.004083642 -0.040584052 0.000885167 -0.055906595 0.013501575 -0.002732407 -0.107457666 0.045079584 0.019487381 0.007298662 -0.009885245 0.047484711 -0.176843189 -0.040168878 0.013181310 -0.021715000 0.019651277 -0.038253722 -0.099576321 -0.007777298 0.010254851 0.005719841 0.013152902 -0.007308810 -0.000569175 0.002334458 -0.010711707 -0.022703162 0.012682387 0.003837973 -0.003312007 -0.005652389 -0.013163148 0.006408527 0.001891622 -0.002167487 -0.010685795 0.000269446 -0.001841481 0.000368213 -0.000197489 0.028937204 0.000008596 0.004384959 0.000113910 0.001039824 0.013286747 -0.000318520 0.001547815 -0.000802520 0.000381706 0.002411314 0.001739941 0.015272732 0.000507325 -0.000617971 -0.006516428 -0.002673459 -0.031241676 -0.000000263 -0.000189013 0.000833680 -0.007804862 -0.017322542 -0.000708557 0.000812529 0.001101615 0.000169260 0.000741498 -0.000078431 0.000018732 -0.001229568 0.000327160 0.000217650 -0.000063906 -0.000080904 -0.001052350 0.001085658 0.001660562 0.000070920 -0.000074656 0.000034532 0.000079770 -0.001053347 -0.000009419 0.000062422 -0.000244905 0.001261828 -0.000988471 -0.000040546 0.000223042 -0.002510701 0.001013492 -0.006233117 0.000038142 0.000232009 -0.002724406 -0.000262605 -0.000290567 0.001498155 0.002215696 -0.000289310 0.000381267 0.000021801 0.001682482 0.001649450 0.000627436 -0.000088069 -0.000067843 -0.000835066 -0.001800264 -0.000041975 0.000056593 -0.000061038 -0.000203691 -0.000072679 0.000025136 -0.000018054 -0.000023010 -0.000012770 0.000014509 -0.000042231 -0.000035449 0.000040173 0.000120703 0.000109734 -0.000002868 0.000006996 0.000009447 0.000012009 0.000022771 -0.000016280 0.000011516 -0.000006808 -0.000003047 -0.000005857 0.000001460 0.000001466 -0.000004218 0.000007095 -0.000009853 0.000037893 -0.000008299 0.000011801 0.000015776 0.000008996 0.000030258 -0.000024968 0.000035582 0.000028929 0.000005768 -0.000024637 -0.000005077 0.000012874 0.000020456 0.000021016 0.000037456 0.000001490 0.000010164 0.000018290 -0.000013273 -0.000004137 0.000001967 0.000004475 -0.000018423 -0.000015709 -0.000012041 -0.000004787 -0.000005742 0.000031909 0.000011438 0.000010691 -0.000013250 0.000009416 0.000038389 0.000018047 0.000000481 0.000001061 0.000004713 -0.000009121 -0.000003468 -0.000014216 0.000010998 -0.000005591 -0.000043795 -0.000016493 -0.000003089 0.000004738 -0.000001407 -0.000017495 -0.000008025 0.000007105 -0.000002819 0.000000895 0.000007536 0.000002060 0.000001707 0.000002535 0.000004422 -0.000012914 -0.000004240 -0.000014896 -0.000001850 -0.000025784 0.000008887 0.000010321 0.000005617 0.000000358 0.000008052 0.000013508 0.000005209 0.000007437 0.000002641 0.000008282 -0.000045042 -0.000030596 0.000008407 -0.000006116 0.000010277 0.000016874 0.000012909 -0.000011111 -0.000002755 -0.000009657 0.000025530 0.000021134 0.000012082 -0.000009075 0.000008437 0.000020783 0.000011112 -0.000011962 0.000007839 -0.000003605 -0.000002978 0.000002102 0.000000545 -0.000004086 -0.000003537 0.000006030 0.000000117 -0.000001150 -0.000003179 -0.000001733 0.000008609 0.000003478 0.000001176 0.000000793 0.000003975 0.000006970 0.000005072 -0.000000374 -0.000005551 0.000000054 0.000003980 0.000000686 0.000006689 -0.000007042 0.000005310 0.000022177 0.000011629 -0.000001505 0.000002532 -0.000003115 -0.000005886 -0.000002720 0.000003448 0.000006847 0.000002998 -0.000022550 -0.000012703 0.000002221 0.000004153 0.000003006 -0.000018639 -0.000009794 0.000003122 -0.000003917 0.000005955 0.000004088 0.000002398 0.000001767 -0.000000926 0.000001337 0.000000891 -0.000000176 -0.000005473 0.000005065 -0.000005770 -0.000014490 -0.000008430 0.000002722 -0.000002726 -0.000003613 0.000013173 0.000007012 -0.000000851 0.000002360 -0.000000232 -0.000005750 -0.000002165 -0.000002314 0.000003904 0.000000442 -0.000010623 -0.000004649 -0.000000620 -0.000000111 0.000002977 -0.000004606 -0.000001905 -0.000001893 -0.000001451 -0.000001176 0.000003360 0.000002624 0.000002983 -0.000002930 0.000002900 0.000006489 0.000003072 0.000001166 0.000000874 0.000000928 -0.000001718 -0.000001953 0.000002891 0.000000761 0.000001710 -0.000003188 -0.000002216 0.000000195 -0.000003426 -0.000000035 0.000011693 0.000006111 -0.000000502 0.000000106 0.000001054 -0.000001942 -0.000000728 -0.000000726 0.000001655 -0.000000914 -0.000005176 -0.000003006 -0.000004722 0.000007872 -0.000003596 -0.000019225 -0.000009661 0.000586169 0.000016132 0.000236126 -0.000136754 -0.000161028 -0.000234699 -0.000216883 0.000150655 -0.000809913 -0.000682165 0.000705625 0.000442100 0.000574544 0.000313731 0.000499394 0.000554220 -0.000025565 0.000046096 -0.000484271 -0.000655605 0.000654846 -0.000086139 -0.000072662 -0.001787722 -0.001800909 0.000145469 0.000071379 -0.000033895 -0.000758078 -0.000809194 -0.000039552 -0.000015112 -0.000006845 0.000057287 0.000063084 -0.000076617 -0.000012535 -0.000012794 0.000166897 0.000110970 -0.000044300 0.000045084 0.000014765 0.000097664 0.000160931 0.001921703 -0.000432051 -0.000217106 -0.001778188 -0.001338550 0.001370517 -0.000203248 -0.001664262 -0.000475437 0.001005389 -0.000892915 0.000030781 0.002162181 0.000974609 0.001039185 -0.000016135 0.000019317 0.000000763 0.000050560 -0.000101501 0.000060694 -0.000021423 -0.000003145 -0.000053888 0.000046084 0.000038857 -0.000007533 0.000029471 -0.000040907 0.000016887 -0.000009686 0.000012068 0.000016835 -0.000009142 -0.000022490 -0.000027167 0.000026330 0.000015352 -0.000044264 -0.000103248 0.000019668 -0.000010934 0.000013308 -0.000039334 -0.000006399 -0.000011808 -0.000005408 0.000008867 0.000040837 0.000000665 -0.000042120 0.000020391 0.000002140 0.000052226 -0.000058143 -0.000014986 0.000007319 -0.000025248 0.000017602 -0.000008995 -0.000009825 0.000012523 -0.000029008 0.000023093 0.000015350 -0.000003289 -0.000001306 -0.000032755 0.000026065 0.000002735 -0.000027695 0.000004315 -0.000058434 0.000097237 0.000036534 0.000167218 0.000170237 -0.000033686 -0.000393068 -0.000037275 0.000134698 -0.000083164 0.000043583 -0.000262186 -0.000038382 -0.000154016 0.000018274 -0.000228297 -0.000097933 -0.000104629 -0.000123273 0.000049804 -0.000135040 0.000200939 0.000025692 -0.000044717 0.000030628 -0.000018678 0.000026409 -0.000023819 0.000011657 0.000010107 0.000008784 0.000082154 0.000038071 -0.000330940 -0.000556097 0.000033765 -0.000240633 0.000213308 -0.000158100 -0.000089492 -0.000185466 0.000259227 0.000250767 0.000179805 -0.000197137 0.000570745 -0.000708870 0.000064811 -0.000023153 -0.000086058 0.000209776 0.000226163 0.000200232 0.000062271 0.000053344 0.000136428 -0.000156251 -0.000258787 -0.000071531 0.000038944 0.000010894 0.000106175 -0.000063461 -0.000026674 -0.000003105 0.000057037 0.000030460 0.000128555 0.000028880 0.000035495 -0.000005852 0.000154882 -0.000009074 -0.000037085 -0.000004016 -0.000057668 0.000041170 -0.000048281 -0.000018529 0.000007418 -0.000049572 0.000141367 0.000070991 -0.000003908 0.000000475 -0.000036567 0.000081511 -0.000060873 0.000053149 -0.000010034 -0.000040730 -0.000006601 0.000061921 0.001314396 0.000024805 -0.000116483 -0.004757425 -0.003242375 -0.001096283 -0.000920982 0.000395022 0.001903841 0.002933545 -0.001012245 0.000308842 0.000018749 0.003372410 0.002349040 -0.001483931 -0.001439787 0.000677032 0.002444605 0.003007233 -0.001820623 0.000646294 0.000426187 -0.000106132 -0.003925088 0.001489579 0.000780773 0.000810206 -0.001321735 -0.000469811 -0.000214501 -0.000229709 -0.000026007 0.000611595 0.000495107 0.000147486 -0.000055822 -0.000053930 -0.000174384 -0.000078321 0.000338503 0.000030349 0.000044358 -0.000836181 -0.000541640 0.105185281 0.012938163 0.053939604 0.024282810 -0.000640866 0.048937371 -0.010753261 0.045124460 0.013793504 0.324398121 -0.003492016 -0.002662771 -0.000369778 0.000068700 0.322024512 -0.007652855 -0.001050005 -0.001346892 0.000323405 -0.004548905 0.003209982 -0.031090095 0.000004340 -0.002568183 0.043476055 -0.006863330 0.001929651 -0.006090586 -0.002730360 -0.013540517 -0.011778279 -0.000480061 -0.001204910 0.002046962 -0.000743862 0.007230508 0.014887341 -0.029957225 -0.010358817 -0.001859475 0.001384975 0.000319459 -0.000906359 -0.000298097 0.000813163 -0.003268814 -0.000353644 0.001016732 -0.000513186 0.000515111 -0.000876034 -0.000559538 0.000336660 0.000770948 -0.000125919 -0.000031514 0.000348288 -0.000048189 0.000481465 0.000466987 0.000556752 -0.000639140 0.001009752 -0.000005257 0.003132713 0.000408459 0.000177835 0.000648957 0.000228730 0.000887564 -0.001047797 -0.001048976 0.003146538 0.001775953 0.000335189 -0.001305263 0.002397041 -0.006254738 -0.003020367 -0.000469376 0.000952657 0.000239248 -0.000110372 0.000886859 -0.001393953 0.000067905 0.000301289 -0.000042831 0.000044155 0.000363635 0.000069952 0.000155731 0.000033084 0.000154901 0.000260276 -0.000050052 0.000324567 0.000292057 0.000273796 0.001060978 0.000046671 0.000396253 -0.000264049 -0.000198291 0.000344944 0.000392557 0.000182663 -0.000229421 0.000008010 0.000076083 -0.000007860 0.000685266 -0.001759511 -0.001023579 0.000082278 0.001288797 0.000522104 -0.000156807 -0.001590544 -0.000176016 -0.000973890 0.000138148 -0.000460603 -0.000556887 0.000273849 -0.000170915 -0.000288600 0.000207875 0.000742660 -0.000390572 0.000260607 0.000024870 0.000007495 -0.000119335 0.000091552 0.000073086 -0.000000037 0.000021425 -0.000017665 0.000004056 -0.000093259 0.000014379 -0.000021464 -0.000011078 -0.000019508 -0.000039873 -0.000000684 -0.000013960 0.000005585 0.000018597 0.000038842 0.000009554 -0.000000123 -0.000036958 0.000001820 0.000006336 0.000001903 0.000005617 -0.000001390 -0.000007998 -0.000068451 -0.000006430 0.000000650 0.000034799 -0.000018335 -0.000096800 -0.000014711 -0.000002377 0.000059632 -0.000020330 0.000007624 0.000003465 -0.000004685 -0.000018833 0.000001595 -0.000063159 -0.000012453 0.000001249 0.000036420 -0.000018219 -0.000010700 0.000001007 -0.000007209 -0.000003784 0.000012676 -0.000001677 0.000002446 -0.000001116 -0.000002406 -0.000014307 -0.000049486 -0.000002404 0.000001712 0.000034411 -0.000021805 0.000011447 -0.000000835 0.000002751 -0.000001610 0.000004756 0.000057579 0.000004117 0.000000630 -0.000033616 0.000025284 0.000015683 0.000000010 0.000000148 -0.000008961 0.000012151 -0.000004633 -0.000002179 0.000003259 0.000006336 -0.000010745 -0.000006944 -0.000001626 -0.000002124 0.000004083 0.000012552 0.000013951 0.000002876 -0.000004811 -0.000015977 -0.000011405 -0.000013167 0.000000106 -0.000000138 0.000002697 -0.000001525 0.000014116 -0.000002541 0.000003206 0.000004229 0.000012823 -0.000018692 -0.000002755 0.000004447 0.000017386 -0.000008704 -0.000020340 0.000003411 -0.000008370 0.000000026 -0.000004787 -0.000021635 -0.000003540 0.000003711 0.000016944 -0.000015385 0.000004664 0.000004690 -0.000007563 -0.000017055 0.000015241 -0.000001771 -0.000000219 0.000001243 0.000003691 -0.000009076 -0.000007805 -0.000000077 -0.000000414 0.000004891 -0.000004082 -0.000007141 -0.000000246 -0.000001155 -0.000001677 0.000000597 -0.000008657 -0.000000061 0.000000076 0.000005874 -0.000003266 -0.000018900 -0.000000883 0.000002440 0.000013655 -0.000014666 0.000006498 0.000000054 -0.000001014 -0.000005468 0.000002468 0.000016186 -0.000002079 0.000002460 -0.000003578 0.000009362 0.000012125 -0.000001393 0.000002033 -0.000002398 0.000008033 -0.000009963 -0.000000600 0.000002323 0.000012985 -0.000001545 -0.000000453 -0.000000314 0.000001162 0.000002186 -0.000001713 0.000015096 0.000001351 -0.000002126 -0.000011636 0.000008257 -0.000003990 -0.000000952 0.000000325 -0.000001307 -0.000011145 0.000005813 0.000000220 -0.000000237 -0.000004003 0.000004107 0.000008189 0.000000410 -0.000000561 -0.000004805 0.000008301 -0.000001815 0.000000262 0.000000253 0.000004567 0.000005153 -0.000003883 0.000000939 -0.000001307 0.000000538 -0.000000701 -0.000007140 -0.000000334 0.000001124 0.000006067 -0.000004891 0.000002003 -0.000000506 0.000000811 0.000000066 0.000000147 0.000001327 -0.000001010 0.000001612 0.000003045 -0.000000708 -0.000010100 0.000000642 -0.000000459 0.000005091 -0.000005909 -0.000000241 0.000000416 -0.000000281 0.000000357 0.000001966 0.000005547 -0.000000354 -0.000000125 -0.000004248 0.000002733 0.000017931 0.000000036 -0.000002252 -0.000014685 0.000014041 -0.000553571 -0.000116638 0.000011560 0.000551202 0.000154347 0.000698637 -0.000044406 0.000337563 0.000169803 -0.000166481 -0.000353369 -0.000033799 -0.000102193 -0.000086117 0.000471345 -0.000144792 -0.000112709 0.000149418 0.000365648 -0.000005111 0.000634503 -0.000153691 0.000303699 0.000506734 0.000058806 0.000443459 -0.000040240 0.000073548 0.000050812 0.000152794 0.000007802 0.000000110 -0.000009842 -0.000002855 -0.000002810 -0.000023353 0.000003245 -0.000008199 -0.000021996 -0.000044130 -0.000124939 0.000009308 -0.000052171 -0.000009435 0.000019931 0.000138455 -0.000125519 0.000202582 0.000997585 0.000248912 0.000803809 0.000016185 0.001243154 -0.000072813 -0.000229379 -0.000618717 0.000028182 0.000479235 -0.000349405 0.000592059 0.000101909 0.000078391 0.000030057 -0.000090697 -0.000072408 -0.000054458 -0.000016242 -0.000016377 0.000041227 0.000031739 -0.000122765 -0.000067367 -0.000020964 0.000093421 0.000061363 -0.000036260 -0.000008026 -0.000013493 0.000013996 0.000013482 0.000016287 0.000019031 -0.000013866 -0.000026640 -0.000011371 0.000060531 0.000010058 0.000026499 -0.000056138 0.000008928 0.000067054 0.000032939 0.000031115 -0.000066814 -0.000042193 0.000066442 0.000055949 0.000015608 -0.000070707 -0.000063916 0.000013170 0.000009942 -0.000004404 -0.000002357 -0.000011080 -0.000044428 -0.000009798 -0.000024632 0.000045521 0.000000673 -0.000015581 -0.000009426 -0.000001390 0.000030920 -0.000005423 -0.000049235 0.000000266 -0.000020519 0.000063735 -0.000037085 -0.000296384 -0.000228789 -0.000140092 0.000249297 0.000266089 -0.000133941 -0.000005294 -0.000026697 0.000024348 0.000071085 0.000271369 0.000078435 0.000066125 -0.000083809 -0.000066931 0.000141051 0.000034841 0.000093293 -0.000031101 -0.000060973 0.000025502 0.000009432 -0.000005217 -0.000008433 -0.000020862 -0.000064969 -0.000018520 -0.000016789 0.000052312 0.000009909 -0.000599675 -0.000113416 -0.000126610 0.000042476 -0.000090184 0.000172437 -0.000158171 0.000026922 0.000080896 0.000020504 -0.000470053 0.000050551 0.000022233 -0.000170766 0.000123595 -0.000106815 0.000028014 0.000020793 -0.000068660 0.000025769 0.000041443 0.000027448 0.000038875 -0.000059829 0.000006387 0.000059780 -0.000008335 -0.000009863 0.000001363 -0.000009845 0.000015954 0.000005461 -0.000006893 -0.000052510 0.000075474 -0.000025764 0.000017620 -0.000015331 -0.000048470 -0.000036315 0.000057443 0.000032166 -0.000011911 -0.000037208 -0.000057830 -0.000037524 0.000014847 0.000002877 0.000007229 -0.000059997 0.000025840 0.000008248 0.000001777 -0.000009880 -0.000050970 -0.000147922 -0.000067791 -0.000041668 0.000127413 0.000044354 0.002615807 0.000092930 0.000518395 -0.000389987 0.000417084 -0.000875595 0.000013772 -0.000316309 -0.000035845 -0.000104688 -0.001593838 0.000215557 -0.000366578 -0.000478991 -0.000507064 -0.001961256 -0.000159210 -0.000934021 0.000617782 -0.000520255 0.000384575 -0.000136215 -0.000413654 0.000542973 -0.000617713 -0.001460059 -0.000286388 -0.000095259 0.000395600 0.000594504 -0.000013278 -0.000013484 0.000000371 0.000111293 -0.000090032 0.000233049 0.000024697 0.000076101 -0.000012263 -0.000030755 0.000285776 -0.000016478 0.000094304 -0.000018890 0.000155963 0.048758642 0.002553012 0.053186836 0.029847519 0.013280507 0.596161817 0.000203137 0.000669979 0.027766263 0.549905931 0.004666627 0.001473228 -0.000142179 -0.026335410 0.495301286 -0.000387446 -0.000642884 -0.084755621 -0.075136367 0.042211047 0.000964624 0.000279714 -0.074062710 -0.209607431 0.093671107 0.000821604 0.000116925 0.040161967 0.091944125 -0.102708668 0.002073617 0.001253439 -0.310013687 -0.004271972 -0.040592741 -0.004600098 -0.002567187 -0.004919803 -0.051451974 0.000297367 -0.002583741 -0.000326574 -0.036706323 0.001536544 -0.052973637 0.000379405 0.001846246 -0.090649232 -0.003180057 -0.025571250 0.001467412 0.000484888 -0.001857572 -0.085357662 -0.023176844 0.001334289 0.001178195 -0.027720904 -0.027377168 -0.191874400 -0.000779204 -0.000558606 -0.006264552 0.000932372 -0.001103529 0.000022387 -0.000044344 -0.004806968 0.000707449 -0.002524046 -0.000397674 -0.000067172 -0.033883018 -0.001727349 -0.007411839 -0.000189094 -0.000152079 0.003351358 -0.006312422 -0.003723165 -0.000052063 0.000011977 0.002574767 -0.002023457 -0.001178382 0.000326780 0.000123134 0.015640054 -0.028223211 -0.010888316 0.000097407 0.000470139 0.004534424 0.005470436 -0.000595489 -0.000740850 -0.000083421 -0.000340208 -0.000014668 -0.000128178 0.000313825 0.000104465 0.002641285 0.000664506 -0.000924383 0.000014438 -0.000005160 0.000110358 -0.000007201 -0.000124459 -0.000019479 -0.000004585 -0.000078737 -0.000181594 -0.000029706 -0.000013963 -0.000004536 -0.000119859 -0.000189828 0.000130548 -0.000004106 -0.000004918 -0.000044732 -0.000017260 0.000023784 -0.000004965 -0.000000347 0.000014554 0.000012389 -0.000015975 -0.000001528 0.000001025 0.000024228 0.000008493 -0.000001287 -0.000003692 -0.000004170 -0.000074874 -0.000116864 0.000050122 0.000005965 0.000000366 -0.000049505 -0.000038920 0.000043210 -0.000007435 0.000002916 0.000020364 0.000050212 -0.000000817 -0.000000541 0.000000660 -0.000013372 0.000015315 0.000012541 0.000007237 -0.000001577 0.000007518 -0.000013625 0.000000773 -0.000004544 0.000001903 0.000011145 -0.000015333 0.000011137 -0.000003029 -0.000003159 -0.000015598 -0.000006923 0.000018170 0.000000341 -0.000000255 -0.000001002 0.000013152 -0.000008739 0.000004117 0.000001467 0.000014699 0.000014681 -0.000022269 0.000002464 0.000000879 0.000001292 0.000011091 -0.000008168 -0.000001154 0.000000981 -0.000006334 0.000005301 -0.000000579 0.000003365 -0.000000870 -0.000010373 -0.000001628 0.000004168 0.000002801 0.000006699 0.000020695 -0.000015424 0.000010880 -0.000005624 -0.000002308 -0.000016914 -0.000001342 0.000005426 0.000010435 -0.000001786 -0.000000638 0.000011522 -0.000009345 -0.000002527 -0.000001464 -0.000008651 0.000025292 -0.000004717 -0.000002336 0.000000166 0.000001999 -0.000035373 0.000020331 -0.000002481 -0.000000607 -0.000018681 0.000001125 0.000009899 -0.000002942 -0.000001239 0.000000323 -0.000016729 0.000003306 0.000000762 0.000000810 0.000009175 -0.000003368 0.000004391 -0.000000078 -0.000000230 0.000008919 -0.000007103 -0.000001556 -0.000002406 -0.000000570 -0.000003294 0.000001436 -0.000001141 0.000002745 -0.000000612 0.000006363 -0.000001032 0.000005036 -0.000003212 -0.000001697 -0.000010357 0.000002272 0.000005424 0.000000904 0.000001190 0.000000666 -0.000003130 -0.000001159 0.000001893 0.000000959 0.000001872 0.000016219 -0.000013863 0.000002533 0.000000390 0.000001362 0.000015187 -0.000010935 -0.000000018 -0.000002385 -0.000001032 0.000008604 -0.000001450 -0.000000362 -0.000000319 -0.000001475 0.000002136 -0.000000472 0.000002062 0.000001259 0.000006868 -0.000006147 -0.000002442 -0.000001698 0.000002257 -0.000008709 -0.000006250 0.000006978 0.000000142 0.000000180 0.000000012 0.000001666 -0.000002794 0.000000789 -0.000000083 0.000002312 0.000004031 -0.000004891 0.000000980 -0.000001658 0.000002384 0.000004578 -0.000002300 0.000000550 -0.000000489 -0.000000520 -0.000004706 0.000003551 -0.000000698 -0.000001090 -0.000002179 0.000001311 0.000001755 -0.000000549 0.000000101 0.000001771 0.000002344 -0.000002452 0.000000124 -0.000000009 -0.000000365 0.000005960 -0.000003604 -0.000001130 -0.000000891 -0.000002000 -0.000005867 0.000006073 0.000000441 -0.000000799 0.000001045 0.000000654 -0.000000880 0.000000546 0.000000964 0.000001068 0.000001025 -0.000002070 0.000001466 0.000002153 0.000003576 -0.000001296 -0.000005778 -0.000053005 -0.000142873 -0.000951055 -0.001109427 -0.000201538 0.000390542 0.000155341 0.000357889 0.001749692 -0.000757604 -0.000508171 -0.000236202 -0.001540752 0.000587868 -0.002175850 0.000068996 -0.000058288 -0.000709274 -0.001145550 0.000265169 0.000449784 -0.000038710 -0.000377181 -0.001161760 0.000379843 0.000164051 -0.000011605 -0.000255774 -0.000750491 0.000036025 -0.000004432 0.000004299 0.000010691 0.000037451 0.000011493 -0.000014948 0.000019822 0.000134751 0.000288691 -0.000097225 -0.000025931 -0.000003508 0.000007906 0.000182809 -0.000081013 0.000103386 -0.000617916 0.001910861 -0.002381076 0.004083645 -0.000025086 -0.000017763 -0.002640119 -0.004117488 0.012952092 -0.000012678 -0.000084259 0.018136467 0.038596526 -0.024775521 -0.000059539 -0.000034724 0.000047549 0.000040469 -0.000012557 0.000036046 0.000017601 0.000005153 -0.000017607 0.000003285 0.000041644 0.000026455 -0.000067733 -0.000034999 0.000027404 0.000011715 0.000003369 0.000015282 0.000002140 -0.000005592 0.000009642 -0.000010124 0.000098653 0.000007013 -0.000029509 0.000002473 -0.000007769 0.000006913 0.000020071 -0.000018361 -0.000031778 -0.000021423 0.000010736 0.000029460 -0.000009904 -0.000045761 -0.000028296 0.000053812 0.000028952 -0.000012165 -0.000008817 0.000001057 0.000018628 0.000000458 0.000003104 0.000005828 0.000013832 0.000015296 -0.000015748 0.000017024 0.000001572 0.000012929 0.000026045 -0.000010619 0.000022172 -0.000010958 0.000012052 0.000048480 -0.000020566 0.000037306 0.000201979 0.000140238 0.000048896 -0.000157909 0.000057971 0.000051770 0.000016693 0.000058966 -0.000012953 0.000002060 -0.000118483 -0.000015241 -0.000036489 0.000127541 -0.000069586 -0.000136417 0.000002947 -0.000185918 0.000083327 0.000090323 -0.000017915 0.000001668 0.000003727 0.000018142 0.000006622 -0.000014247 0.000007146 -0.000083660 -0.000008002 0.000033175 0.000124725 -0.000036282 0.000149582 -0.000060476 -0.000089224 -0.000036640 0.000013296 -0.000488502 -0.000057991 -0.000012020 0.000181971 -0.000105232 -0.000158425 -0.000104638 -0.000120035 0.000040864 -0.000071463 -0.000066103 -0.000012056 0.000068266 0.000012398 -0.000059278 -0.000000921 0.000103625 -0.000226123 -0.000052528 -0.000003622 -0.000163205 -0.000033140 -0.000034741 -0.000013733 -0.000031900 -0.000360188 0.000025469 -0.000062782 -0.000053952 -0.000000467 -0.000079496 -0.000092690 0.000060638 0.000007655 0.000009328 0.000260334 -0.000075306 0.000073091 -0.000042444 0.000005313 0.000054728 0.000000329 0.000029505 0.000000020 0.000008757 0.000190070 -0.000034350 0.000035661 0.000046356 0.000046952 -0.000006876 -0.000057300 0.000037044 0.000742017 -0.000279498 0.000692564 -0.001028170 -0.000465255 -0.000354513 0.000091201 -0.000579312 0.000659743 0.000202826 -0.000740888 0.000153032 0.000473106 0.001396436 0.000063255 -0.000869103 0.000308160 -0.001009367 0.001085154 0.000719111 -0.000746750 0.000388721 0.000037279 0.000356459 0.000076151 0.000915967 -0.000256865 0.000296769 -0.000777718 -0.000402827 -0.000089101 0.000029701 -0.000237190 0.000016728 0.000140751 0.000029861 -0.000027034 0.000006435 -0.000082976 0.000052238 0.000175982 -0.000055286 -0.000030155 -0.000183004 -0.000030792 0.083857165 0.079582265 0.230772276 -0.046909536 -0.100157187 0.111199515 -0.007598002 0.000141097 -0.001690983 0.332045010 -0.024940322 0.000095469 -0.005296476 0.002380200 0.054098792 0.015291471 -0.000429851 0.002322350 0.042805742 0.003451941 0.000624941 0.000841801 0.014634497 -0.006559699 -0.004323584 0.004892777 0.001068847 0.028085498 -0.000975892 -0.000612255 -0.003662062 -0.003225278 -0.009543377 -0.000807916 -0.000217205 0.000301026 0.000324793 -0.000856639 0.001172862 0.000300129 0.000299667 0.000143998 0.000084559 -0.000117262 0.000880924 0.000591851 0.000403648 0.000997096 -0.000974301 -0.001095812 0.000084364 0.000161024 0.000697793 0.000441511 -0.000682604 0.000053960 0.000596812 -0.000623658 -0.000039861 -0.000106558 0.000497608 0.000553109 0.000707123 -0.000145603 -0.000092576 -0.000464735 0.000556881 -0.004344743 -0.000971398 -0.000920913 0.001080377 -0.000150909 -0.000476124 0.000452568 0.000812108 -0.001275305 -0.000160670 0.000626872 -0.000304542 0.000655659 0.000099699 0.000104390 -0.000128876 -0.000024347 -0.000030786 0.000037834 0.000016334 0.000082209 -0.000006796 0.000042526 -0.000002316 -0.000024644 0.000076369 -0.000046421 0.000011873 0.000009582 -0.000007287 0.000009843 0.000005457 -0.000007461 0.000006761 0.000010541 -0.000030684 -0.000012987 -0.000007476 -0.000005481 -0.000002395 -0.000002121 0.000006633 0.000017652 -0.000015653 -0.000022836 0.000090007 -0.000000278 0.000015506 -0.000026006 -0.000019007 0.000062485 0.000007556 0.000001618 0.000005968 0.000005893 -0.000044913 -0.000000146 -0.000001459 -0.000022489 -0.000021695 0.000035935 0.000021606 0.000009221 0.000000555 0.000006464 -0.000002325 0.000008311 -0.000002668 -0.000008103 -0.000007840 0.000008237 -0.000009648 0.000003326 -0.000024045 -0.000030001 0.000039929 0.000002440 0.000014523 0.000004943 0.000006404 -0.000008534 -0.000000195 -0.000004586 0.000026952 0.000032651 -0.000044935 -0.000005429 -0.000015642 0.000008265 0.000010876 -0.000014922 0.000001824 -0.000005332 -0.000001869 -0.000001822 0.000003842 -0.000003595 0.000000635 0.000003638 0.000001782 0.000001114 0.000007009 -0.000004409 -0.000003291 0.000003175 -0.000013494 -0.000017528 -0.000006608 -0.000000821 -0.000008331 0.000007673 0.000011490 0.000010005 0.000009803 0.000016019 -0.000005437 0.000002770 -0.000015517 -0.000008281 -0.000010145 0.000006792 -0.000001243 0.000005328 -0.000006469 -0.000012499 0.000013629 0.000000194 0.000005060 -0.000012721 -0.000015602 0.000022275 -0.000001435 0.000007096 0.000010095 0.000004742 -0.000008518 0.000012381 0.000001882 -0.000008025 -0.000004004 0.000006904 -0.000009925 -0.000000066 -0.000007180 -0.000007573 0.000009960 -0.000004040 -0.000000276 0.000001351 -0.000001822 0.000000844 0.000002082 0.000002548 -0.000008984 -0.000008135 0.000011771 -0.000004395 0.000001452 -0.000009284 -0.000014534 0.000017834 -0.000000088 0.000007166 0.000004760 0.000005633 -0.000006299 -0.000001474 -0.000003670 0.000011927 0.000017123 -0.000019478 0.000002021 -0.000008365 0.000008495 0.000011724 -0.000013958 0.000001182 -0.000007142 -0.000006247 -0.000007026 0.000008601 0.000002851 0.000003567 -0.000001373 -0.000001273 0.000001688 0.000000337 0.000001106 0.000007128 0.000009938 -0.000011562 -0.000000366 -0.000005240 -0.000002633 -0.000004350 0.000004791 -0.000005691 0.000001515 0.000004205 0.000004419 -0.000006541 0.000001483 -0.000001884 0.000005947 0.000006909 -0.000009439 0.000002877 -0.000003177 -0.000001039 -0.000000709 0.000000825 0.000003552 0.000000520 -0.000002110 -0.000003965 0.000004376 -0.000000606 0.000000905 -0.000004095 -0.000005732 0.000007478 0.000000029 0.000002737 0.000000882 0.000002222 -0.000001931 0.000000498 -0.000000151 0.000001774 0.000003035 -0.000002842 0.000000089 -0.000001643 -0.000006118 -0.000008618 0.000010132 -0.000000441 0.000004416 0.000000168 -0.000000361 0.000000450 0.000001192 0.000000039 0.000002671 0.000004197 -0.000004688 -0.000000595 -0.000002167 0.000010945 0.000015092 -0.000018027 0.000001830 -0.000006248 -0.000021592 -0.000132675 0.000920200 -0.000751119 0.000443542 -0.000166304 0.000278605 -0.000548183 -0.000148878 -0.001060140 0.001220944 -0.000004873 -0.000038151 0.002251949 0.000134040 -0.000041407 -0.000002255 0.000905411 0.000126263 0.000104316 -0.000416708 0.000137045 0.001057920 -0.000036692 -0.000291136 -0.000030942 0.000178361 0.000302745 0.000013112 -0.000157479 0.000007202 -0.000011242 -0.000021705 0.000006441 -0.000003095 -0.000013752 -0.000025103 -0.000134853 -0.000012280 -0.000016494 0.000036158 -0.000030265 -0.000104299 0.000045556 -0.000004669 0.001396938 -0.000314431 0.001150323 0.001531783 0.001328905 0.000322873 0.001267132 0.000449285 0.000541883 0.000074466 -0.001105265 -0.000149885 -0.010006969 -0.000429879 -0.000229217 -0.000040084 -0.000027630 -0.000020862 -0.000059264 0.000150991 0.000012362 0.000014997 -0.000000202 0.000008108 -0.000032209 0.000005733 0.000022310 0.000033066 0.000050653 -0.000063166 0.000003207 0.000014719 -0.000003075 0.000004095 -0.000013922 -0.000004855 0.000029009 -0.000016665 -0.000018022 0.000019376 0.000008639 0.000005834 -0.000021736 -0.000000193 -0.000001398 -0.000012657 -0.000032525 -0.000003515 -0.000020064 0.000037141 -0.000027959 -0.000025342 -0.000008912 -0.000037544 0.000084806 -0.000004096 -0.000001587 -0.000007369 -0.000006991 0.000020154 -0.000002408 0.000004738 0.000005958 0.000004449 -0.000000934 -0.000020907 -0.000010681 0.000008588 0.000010177 0.000021611 -0.000038647 -0.000032191 0.000024455 -0.000002480 0.000048366 0.000083183 0.000132916 0.000082190 0.000111620 -0.000316653 -0.000016999 0.000022065 0.000030173 -0.000013223 0.000023435 0.000050863 -0.000008127 -0.000054214 -0.000006980 0.000028667 -0.000010837 -0.000084366 0.000003219 0.000040233 0.000045257 0.000013349 0.000010541 -0.000008940 0.000029528 -0.000004339 -0.000010797 -0.000027243 0.000036498 0.000002463 0.000016543 -0.000035103 0.000056233 0.000011641 -0.000041839 0.000153836 0.000091970 -0.000008093 0.000023619 0.000177909 -0.000208650 0.000097051 0.000123541 0.000039845 0.000082257 -0.000209749 -0.000037142 -0.000037875 0.000019300 -0.000006171 -0.000040687 0.000106463 0.000079938 0.000012650 -0.000161731 -0.000212070 0.000036178 -0.000034396 0.000063979 -0.000069506 -0.000049299 0.000149587 0.000040382 -0.000013385 -0.000127524 -0.000289830 -0.000056240 -0.000055245 -0.000004577 -0.000143614 0.000146085 -0.000075981 -0.000020691 -0.000028710 0.000136518 0.000252981 -0.000048714 -0.000057943 0.000011870 -0.000043733 0.000061024 -0.000098299 -0.000034265 -0.000012444 -0.000014403 0.000150953 -0.000018455 0.000006667 0.000027251 0.000021891 -0.000036492 -0.000199492 0.000766921 0.000412880 0.000021531 0.000027175 0.000385431 -0.000336050 -0.000592634 0.000231544 -0.000143467 0.000144576 -0.000499730 -0.001068776 -0.000248945 0.000441570 0.000423874 -0.001080813 -0.000781339 0.000159046 -0.000085158 -0.000072531 -0.000247793 0.000139284 -0.000066182 0.000203794 -0.000192328 0.000473287 0.000643777 0.000034574 -0.000168149 0.000001896 -0.000091842 0.000050784 0.000026641 -0.000040338 -0.000078817 0.000008511 0.000098036 -0.000005232 0.000034949 -0.000027468 0.000150937 0.000134321 0.000020121 -0.000090026 0.059241562 -0.036096327 0.630807454 -0.002833427 -0.034433351 0.558915675 -0.006889014 -0.004255813 0.030574978 0.487847039 -0.001467849 -0.292609961 -0.005918074 -0.046953754 0.318523149 -0.000887831 0.001622100 -0.050410996 -0.005059952 0.015852612 -0.006782356 -0.051333688 -0.005699912 -0.058847416 0.047214532 0.000020157 -0.104634139 0.103662913 0.039796231 -0.010379809 0.000144530 0.093946793 -0.221885021 -0.071248332 -0.000712836 0.001009478 0.038027048 -0.073168479 -0.080990690 -0.003275780 -0.002892139 -0.028462638 -0.043337261 0.026906566 0.003439454 0.003641587 -0.043544493 -0.000828268 0.008679924 -0.000572125 -0.002246816 0.028995421 0.007815106 -0.013818364 -0.002475075 0.000183350 -0.000548734 -0.000910359 0.000864281 0.000272943 0.000079217 -0.001441386 0.000340932 0.000755592 -0.000129690 0.000010821 0.000352572 -0.000010358 0.001889765 0.000124955 0.000065082 0.000107516 0.000039596 0.000079213 0.000045366 0.000039080 -0.000062664 -0.000268188 0.000249604 0.000046333 -0.000027333 -0.000076190 0.000049077 -0.000069320 -0.000014426 -0.000017216 -0.000108765 0.000565069 0.000067543 -0.000102587 -0.000059167 0.000229251 0.000435224 -0.000231176 -0.000089130 0.000023038 0.000063438 -0.000221687 0.000027647 0.000071599 -0.000036380 0.000184103 0.000336484 -0.000674007 -0.000108529 0.000004901 -0.000074915 0.000063257 -0.000088822 -0.000009930 -0.000019299 -0.000066029 0.000074024 0.000094352 -0.000026313 -0.000036502 0.000164329 0.000250799 -0.000214104 -0.000054638 0.000013113 -0.000001377 -0.000102725 0.000057015 0.000026831 0.000043458 -0.000143960 -0.000336353 0.000341051 0.000090314 0.000011929 -0.000058835 -0.000113807 0.000058911 0.000026653 -0.000012006 0.000055533 -0.000008022 -0.000033656 -0.000020527 0.000009672 0.000004893 0.000016632 -0.000008692 0.000016397 -0.000041051 -0.000025703 -0.000039009 0.000141065 -0.000040488 0.000015933 0.000000844 0.000074742 -0.000046707 -0.000005617 0.000005887 -0.000005766 -0.000079394 -0.000041882 0.000021025 -0.000008766 0.000067149 -0.000041476 -0.000064412 -0.000011078 -0.000015483 0.000025191 0.000191739 -0.000008093 -0.000016534 -0.000018531 0.000123857 0.000103591 -0.000113525 -0.000044294 0.000027946 -0.000115068 0.000044316 0.000066033 0.000042761 -0.000017778 0.000040225 0.000041142 -0.000035122 -0.000019298 0.000000711 0.000038724 0.000087299 -0.000054925 -0.000018938 0.000011549 0.000009656 0.000020703 -0.000021616 0.000004689 -0.000018845 0.000062404 0.000079254 -0.000065508 -0.000019666 -0.000013255 0.000077418 0.000088175 -0.000088787 -0.000031491 0.000002819 -0.000016563 -0.000031427 0.000035067 0.000003123 0.000019711 -0.000059023 -0.000170458 0.000067136 0.000035499 0.000013900 -0.000036668 -0.000130753 0.000046612 0.000024800 -0.000002923 0.000024574 0.000021013 -0.000056257 0.000001168 -0.000001298 0.000004989 -0.000000981 -0.000009835 -0.000002526 0.000008694 -0.000058625 -0.000047232 0.000065900 0.000015454 -0.000016674 0.000053033 0.000034978 -0.000006631 -0.000035070 0.000008466 -0.000030250 -0.000040429 0.000032247 0.000012023 0.000014485 -0.000049472 -0.000060315 0.000040714 0.000022778 0.000005493 -0.000013273 -0.000003358 -0.000014184 0.000014546 -0.000004538 0.000015631 0.000041814 -0.000013674 -0.000008842 -0.000004735 0.000031882 0.000038002 -0.000039896 -0.000008685 0.000003175 -0.000011024 -0.000018916 0.000002421 0.000006413 0.000002220 -0.000001150 -0.000041610 0.000002218 0.000005386 -0.000009422 0.000033790 0.000077234 -0.000040854 -0.000016853 0.000003094 -0.000005387 0.000003993 -0.000004143 0.000005550 0.000002674 -0.000014142 -0.000030857 0.000022160 0.000005016 0.000017808 -0.000078947 -0.000095155 0.000088696 0.000030207 0.002050730 0.001581805 0.010342575 -0.008859724 -0.000615368 -0.001993344 -0.004086215 -0.012169054 0.003267013 -0.001096256 0.001545593 -0.001014779 0.001690897 -0.003284097 0.000801254 0.000074871 -0.002255068 0.005644304 -0.003657161 -0.001336440 -0.001153570 0.006241947 0.006550711 -0.004699813 -0.000984069 -0.000136403 0.001588451 0.001941436 0.001097484 0.000070056 -0.000026490 0.000219934 0.000211340 0.000031590 0.000040341 -0.000107680 -0.000474028 -0.000470582 -0.000326068 -0.000026906 0.000075973 -0.000130550 -0.000669604 -0.000435405 0.000071316 0.002926828 -0.109574879 -0.033219870 0.029116934 -0.014240805 0.000180528 -0.015502969 -0.186703291 0.072587185 -0.007550361 0.002745124 0.018239541 0.072215585 -0.112649321 0.007024169 0.000071885 -0.000090658 -0.000094737 0.000160480 0.000007333 -0.000001133 -0.000019961 -0.000013144 -0.000007966 0.000007732 -0.000119883 0.000147882 0.000203820 -0.000218725 -0.000017848 0.000003874 -0.000022199 -0.000021395 0.000002529 0.000009962 0.000043493 -0.000098646 -0.000126335 0.000113861 0.000013192 0.000025631 -0.000084619 -0.000146392 0.000109604 0.000026003 0.000021916 0.000001762 -0.000005087 0.000062355 -0.000014913 0.000049029 -0.000039969 -0.000035753 0.000099510 -0.000009670 0.000014916 -0.000028875 -0.000028765 0.000035852 0.000005006 -0.000011458 0.000021545 0.000052229 -0.000044423 -0.000007036 -0.000030450 0.000045320 0.000077604 -0.000057572 -0.000015923 -0.000038212 0.000112860 0.000198192 -0.000123584 -0.000046972 -0.000203502 0.000232123 0.000371285 -0.000533283 -0.000025067 -0.000015914 0.000007103 0.000171809 -0.000156084 -0.000009396 0.000188295 -0.000265550 -0.000359998 0.000323312 0.000057028 -0.000076946 0.000146851 0.000129050 -0.000112854 -0.000003552 0.000021739 -0.000017228 -0.000057353 0.000045009 0.000008971 -0.000050307 0.000164992 0.000244557 -0.000202134 -0.000030503 0.000152358 -0.000167608 -0.000069637 0.000186426 -0.000004817 -0.000173735 0.000200524 0.000118935 -0.000184560 0.000002887 -0.000050866 0.000010107 -0.000051367 -0.000159638 0.000020067 -0.000075676 0.000038636 -0.000013245 -0.000043966 0.000011615 0.000184311 0.000004548 -0.000281095 -0.000046356 -0.000043322 0.000115538 0.000102254 0.000374902 -0.000375670 -0.000048937 0.000357945 -0.000140839 -0.000208941 -0.000062418 0.000078221 0.000165837 -0.000075605 0.000121727 0.000085139 0.000048711 -0.000084805 -0.000168654 -0.000053749 0.000339156 0.000033998 -0.000026268 0.000099056 0.000156280 -0.000021786 -0.000039399 -0.000057519 0.000021658 0.000025403 0.000143176 -0.000019767 -0.000076517 0.000115255 0.000165971 -0.000164450 -0.000017847 -0.000237907 0.000425582 0.000677133 -0.001332674 -0.000355571 0.000416271 -0.001458498 -0.002397424 0.002651194 0.000680085 0.000724453 -0.002926682 -0.004771553 0.005152251 0.000962593 0.000423662 -0.001307316 -0.002062108 0.002919678 0.000663850 -0.000232688 0.000487317 0.000732734 -0.000073370 -0.000242863 -0.000389194 0.001342016 0.002418920 -0.002456362 -0.000450614 -0.000085105 0.000362689 0.000507714 -0.000343648 -0.000109453 -0.000103268 0.000438418 0.000609756 -0.000452225 -0.000145198 -0.000085231 0.000338413 0.000559857 -0.000704074 -0.000092156 0.056808374 -0.004310252 0.068149060 0.023411579 0.010206058 0.104520840 0.004908552 0.000936100 -0.105457951 0.252276037 0.006355206 0.003078165 -0.042285151 0.069835201 0.089026973 0.005219716 -0.000409435 0.001396107 0.011776309 -0.002292630 -0.006152641 0.002987612 -0.003028621 -0.002969781 0.000040069 0.000164797 0.000356961 0.000695714 -0.000549785 0.001801873 0.000149016 -0.000119149 -0.000099923 0.000167595 -0.000098114 -0.000279357 0.000162157 0.000030824 0.000083447 -0.000102971 0.000226635 -0.000164336 0.000016707 0.000097444 -0.000087091 -0.000013664 -0.000014115 -0.000084350 -0.000093524 0.000015145 0.000045968 -0.000033437 -0.000055512 0.000022081 -0.000019260 -0.000020800 0.000007299 0.000033433 0.000017917 -0.000007556 -0.000090294 0.000070785 0.000035624 -0.000063437 0.000002644 -0.000029270 0.000048254 0.000024033 -0.000019314 0.000030779 0.000043335 -0.000049277 -0.000011091 0.000013153 -0.000015463 -0.000090699 0.000068188 -0.000020317 -0.000101475 0.000059491 -0.000010308 0.000014353 0.000020896 -0.000042733 0.000008246 -0.000011900 0.000011474 0.000022800 -0.000010306 0.000002005 -0.000021367 0.000021949 0.000020464 -0.000025264 0.000013488 0.000018038 -0.000015445 -0.000014415 0.000031327 -0.000020213 0.000052092 -0.000046271 -0.000024035 0.000069440 -0.000034456 0.000009498 -0.000008622 -0.000014284 0.000018743 -0.000006870 -0.000002660 0.000007683 0.000004261 0.000012590 -0.000001467 -0.000001779 -0.000002290 -0.000014089 -0.000011727 0.000002875 0.000008543 0.000015948 0.000056224 -0.000009243 0.000038071 -0.000021780 0.000008947 -0.000013719 -0.000014002 -0.000012482 0.000017868 -0.000009605 -0.000011204 0.000010934 -0.000001747 0.000003655 0.000004277 0.000003394 0.000036040 -0.000025731 -0.000007327 0.000004023 0.000017842 -0.000060238 0.000029385 -0.000005568 0.000017513 0.000016660 0.000008390 -0.000009564 -0.000010742 -0.000016268 -0.000027219 -0.000038231 0.000007218 -0.000000126 0.000004981 0.000013949 0.000000857 0.000005913 -0.000005168 0.000009485 0.000012998 -0.000013188 0.000008706 -0.000002041 -0.000003345 -0.000009638 -0.000001349 -0.000008206 0.000006045 0.000005285 0.000025433 0.000000290 0.000000248 -0.000009394 0.000010666 0.000007521 -0.000004523 0.000000802 0.000004237 -0.000001579 0.000001289 0.000000691 0.000001114 0.000009085 -0.000012757 -0.000024569 0.000032368 -0.000011648 0.000010082 -0.000009088 -0.000015213 0.000026106 -0.000009752 -0.000002039 0.000000707 -0.000002973 0.000007515 -0.000004655 -0.000002548 0.000001374 -0.000001854 0.000001379 -0.000001003 0.000003811 -0.000005383 -0.000002896 -0.000005660 0.000005193 -0.000003379 0.000012665 0.000016038 -0.000005054 0.000003552 0.000000553 -0.000003921 -0.000008715 0.000001672 -0.000001275 0.000002334 -0.000007422 -0.000014077 0.000004610 -0.000002890 0.000000770 -0.000004373 -0.000007047 0.000002804 -0.000002411 0.000000604 0.000003069 0.000008374 -0.000009822 0.000003847 -0.000002403 0.000002190 0.000002498 -0.000000900 -0.000000526 -0.000001017 -0.000002567 -0.000005377 0.000005132 -0.000001998 0.000001551 -0.000002220 -0.000005732 0.000011999 -0.000003225 -0.000005518 0.000006384 0.000009089 -0.000013328 0.000005556 0.000000865 -0.000002535 -0.000002303 -0.000001548 -0.000000227 0.000002881 -0.000001965 -0.000001151 0.000004848 -0.000002318 0.000005875 -0.000009479 -0.000013617 0.000005282 -0.000003208 0.000476799 0.000562920 -0.002458311 -0.000854480 0.000834913 0.003442086 -0.000018506 0.000256268 0.005668047 0.000142657 -0.001541430 0.000290205 0.000436048 -0.001543768 -0.001051896 -0.001636820 0.001115323 -0.000231674 -0.001090590 0.000452780 0.000006659 0.000239997 0.000864336 -0.000035031 0.000894020 0.000358011 -0.000074919 0.000089870 0.000058093 -0.000123495 0.000040787 -0.000066608 0.000159346 0.000016152 -0.000075654 0.000030803 0.000009202 0.000170760 0.000191468 -0.000061388 -0.000006788 -0.000013819 -0.000168988 -0.000319265 0.000079319 -0.039564939 0.026591229 0.007190047 -0.000078019 -0.005491074 -0.010625165 0.007371241 -0.012724301 -0.037901813 0.024424398 0.006485949 -0.001076120 -0.004355612 0.004827393 0.004860533 0.000005812 -0.000036634 -0.000010422 0.000001708 -0.000028880 0.000000881 0.000001607 -0.000003754 0.000005238 0.000010003 -0.000014838 0.000049692 0.000021888 -0.000011107 0.000023165 0.000001577 -0.000001650 -0.000003975 0.000004100 0.000003200 0.000009542 -0.000030139 -0.000006414 0.000018046 -0.000006745 0.000012346 -0.000014905 -0.000010557 0.000014202 -0.000018668 0.000002798 -0.000013408 0.000003258 -0.000010483 -0.000018382 0.000003482 -0.000028166 -0.000001495 -0.000005691 -0.000018071 0.000001860 -0.000009088 -0.000003706 0.000002993 -0.000001866 -0.000004076 0.000004026 0.000003558 -0.000001464 0.000012508 -0.000004487 0.000005710 0.000011427 -0.000004837 0.000006697 -0.000012994 0.000007817 0.000023395 -0.000019153 0.000018310 -0.000031044 0.000097753 0.000018044 -0.000006908 0.000119896 -0.000009557 0.000014847 0.000030073 -0.000008263 0.000009506 0.000025609 -0.000053993 -0.000042510 0.000027795 -0.000039629 -0.000007841 0.000048212 0.000006817 -0.000024565 -0.000017158 0.000005481 -0.000004041 -0.000006829 0.000007293 -0.000002958 -0.000021320 0.000040241 0.000011715 -0.000030610 0.000018049 0.000009586 -0.000076406 -0.000005312 0.000014086 0.000005204 -0.000007575 0.000074116 0.000000134 -0.000014596 0.000009207 -0.000000791 0.000045079 0.000002056 0.000024328 0.000022246 -0.000004677 0.000016380 -0.000008801 -0.000015667 -0.000019832 -0.000017340 0.000031394 0.000058818 0.000173063 0.000033458 -0.000029813 0.000057093 0.000028824 -0.000070744 -0.000004600 -0.000000149 0.000027292 -0.000056550 -0.000020358 -0.000000651 -0.000028201 -0.000025756 -0.000079787 -0.000143871 -0.000050304 -0.000016195 -0.000109307 -0.000092774 -0.000105036 -0.000014222 -0.000007546 -0.000004699 0.000012905 -0.000035190 -0.000005618 0.000006110 -0.000041562 0.000010203 -0.000009931 -0.000020055 -0.000014445 0.000027164 0.000008459 -0.000012490 0.000031505 -0.000216289 0.000100312 0.000170607 0.000325380 0.000351849 0.000382915 -0.000289960 -0.000214654 0.000092478 -0.000429652 0.000603491 -0.000690268 -0.000266781 0.000352102 -0.000833984 0.000428313 -0.000267084 -0.000233013 -0.000188780 -0.000606501 -0.000066309 0.000059766 0.000124622 -0.000039997 -0.000028226 -0.000282712 0.000318895 0.000216945 -0.000102576 0.000457126 -0.000037609 0.000064962 0.000037333 -0.000048790 0.000030357 -0.000048061 0.000040446 0.000047683 -0.000048325 0.000072807 -0.000066080 0.000087567 0.000035657 -0.000025547 0.000122037 0.597604236 -0.119114212 0.779498288 -0.006232994 -0.272768848 0.381428712 -0.010087952 -0.018625917 0.013990847 0.530591143 -0.026637820 -0.002692678 0.013017545 -0.008132828 0.581040346 0.010561875 -0.006730544 -0.007074716 0.023477524 -0.040609218 -0.002626929 0.005312898 -0.002151805 -0.146272225 0.095062630 -0.001280283 -0.001166177 0.000112916 0.097590034 -0.143533923 0.000761025 0.000655251 0.000468808 -0.081388741 0.076313367 -0.005575724 0.001668254 -0.002621330 -0.076262310 -0.078074150 -0.000168027 0.001005475 -0.002381231 -0.074241142 -0.255818369 0.001777049 0.000798633 0.000040883 -0.008159034 -0.014094216 -0.001284551 0.007204932 -0.000620846 -0.077770129 0.001570624 -0.000790595 0.000360455 0.001037982 -0.001984805 -0.086004710 0.000150798 -0.002932781 -0.000377610 -0.007622844 -0.025346129 0.000452199 0.001432694 -0.000553632 0.000116461 -0.000668972 -0.000009136 -0.001353006 -0.000271852 0.008041732 0.000196187 -0.000042676 -0.003044484 0.000886299 0.031331772 0.003446187 -0.000068274 -0.000392419 0.000154405 0.000020806 -0.000470467 0.000275786 -0.000423967 -0.000012532 -0.004885989 0.005258020 -0.000324114 0.001134055 -0.000165690 -0.019607119 0.020545064 0.002347990 -0.000197432 0.001215198 0.001139729 0.001581208 -0.000949719 0.002643854 -0.000826008 -0.000745189 -0.010037823 0.000122748 -0.002189028 -0.000643456 -0.010296826 -0.032913081 0.000590629 -0.000593598 0.000623586 -0.000609341 -0.000160300 0.000187338 0.001401219 -0.001059611 -0.000203308 0.000486486 0.000439873 -0.001003034 -0.001673275 -0.000773047 -0.000129627 -0.001566253 0.002814906 -0.001083972 0.001061107 0.000140575 0.000927610 -0.001334783 0.000378896 0.000700557 0.000981507 0.000416026 -0.000505937 0.000186030 0.000678415 -0.001279033 -0.000344148 0.000519131 -0.000178160 -0.001522519 -0.002752738 0.000785175 -0.001237799 0.000331377 -0.001708538 -0.005968697 0.000010621 0.000328435 -0.000332103 0.000138270 0.000348623 -0.000010785 -0.000142400 0.000062551 0.000378548 0.000181808 -0.000238443 -0.000551899 0.000317762 -0.000416254 -0.000731796 -0.000120596 -0.000552832 0.000307954 -0.000655833 -0.001736416 0.000034860 -0.000204541 -0.000052130 0.000263131 0.000124103 -0.000032198 0.000011887 -0.000012500 -0.000065982 0.000109962 -0.000166292 0.000056623 0.000116544 -0.000024835 0.000226973 0.000390524 -0.000108173 -0.000027685 0.000357137 0.000043524 -0.000223333 0.000246569 -0.000001378 -0.000066829 -0.000360553 -0.000359215 0.000247836 -0.000002746 -0.000354431 0.000770799 -0.000136186 0.000019663 -0.000005285 0.000013099 -0.000065587 0.000060439 0.000113916 -0.000057696 0.000099285 -0.000015455 0.000044077 -0.000003226 -0.000054097 0.000062299 -0.000075148 -0.000057932 -0.000046564 0.000026192 -0.000252038 0.000113428 0.000009841 -0.000255606 0.000083070 -0.000128906 0.000466596 0.000099576 0.000289398 -0.000136856 0.000204223 -0.000335268 -0.000106401 0.000087735 -0.000024173 -0.000055226 -0.000001389 0.000011221 -0.000214477 0.000071611 -0.000206924 0.000381882 -0.000305262 0.000046170 0.000094997 -0.000103447 -0.000051910 -0.264399867 0.202280793 -0.074218946 -0.007950847 -0.002750655 0.215968824 -0.393610860 0.123664110 0.007689782 0.001062276 -0.077790518 0.127356560 -0.135980051 -0.004375057 -0.002500332 -0.113728355 -0.039349143 0.031733574 -0.204387869 0.005279686 -0.056130629 -0.236026128 0.098564495 -0.001221002 -0.080514871 0.048941632 0.139149412 -0.138004637 0.051694634 0.014501203 0.006240876 -0.007132724 0.003341316 -0.015009748 0.014957345 0.025093746 -0.014541250 0.007662495 -0.003639433 0.002304117 -0.014375976 -0.003044392 -0.003478730 0.010121348 -0.010104784 -0.179440244 0.014327705 0.016993333 0.005007947 -0.000903407 -0.008611752 -0.107996884 0.029231945 0.001507587 -0.003866482 0.032290253 0.027546614 -0.079259453 -0.000103323 0.004121025 -0.000373009 -0.000225206 0.000289138 0.000077551 0.000052856 -0.000067369 0.000262052 -0.000190768 -0.000020296 0.000014307 0.000682444 -0.000128708 -0.000193133 -0.000027378 -0.000038900 -0.000088305 -0.000226215 0.000118224 0.000078577 0.000056789 -0.000139790 -0.000893138 0.000555611 0.000128108 0.000005889 -0.000283546 -0.000644281 0.000432361 0.000107510 0.000001094 -0.000034687 0.000101251 0.000011774 -0.000106811 -0.000064169 -0.000161524 -0.000061478 0.000124242 -0.000038505 0.000001214 -0.000104568 -0.000052787 0.000065713 -0.000014449 -0.000016450 0.000108538 0.000131190 -0.000109379 -0.000033814 -0.000022062 0.000297776 -0.000115726 0.000027331 -0.000023849 -0.000034927 0.000522103 0.000352591 -0.000293654 -0.000076061 0.000003990 0.001052371 0.001997005 -0.001626128 -0.000329059 0.000308944 0.000712017 -0.000643166 -0.000373104 -0.000103518 -0.000229002 -0.001000264 0.000048947 0.000330425 0.000069076 0.000084456 0.000051091 0.000637972 -0.000360862 -0.000054994 -0.000001745 -0.000170828 -0.000215725 0.000155853 0.000052521 -0.000002977 0.000352845 0.001441226 -0.000675579 -0.000125848 0.000124428 -0.000232360 -0.000495440 0.000374424 -0.000055765 -0.000038763 0.000160052 0.000757204 -0.000491596 -0.000018490 0.000006485 0.000504786 -0.000226044 -0.000082628 0.000212203 -0.000015111 -0.000408858 0.001245079 -0.004293391 0.000415336 0.000245801 0.002611014 -0.002915054 0.001790727 0.000137655 -0.000306333 0.000160101 0.001711646 -0.004696452 0.000122172 0.000034047 -0.003283173 0.001933104 -0.006835764 0.000460662 -0.000439132 -0.004480836 0.005806454 -0.005656670 0.000543395 0.000192487 -0.007199759 0.005260657 -0.008085238 -0.000526269 0.000709170 0.000217430 0.000787838 -0.000457727 -0.000896486 -0.000167888 0.000020921 -0.001171829 0.000711250 -0.000407186 0.000338901 0.000350697 0.000665086 -0.000793362 -0.000035210 -0.000185520 0.011038262 0.003103278 -0.008335778 -0.000867888 0.002911108 -0.013156331 -0.028721485 0.007578617 0.004921889 0.000151048 -0.015835225 -0.050089640 0.030633921 0.005911385 -0.002819196 -0.015591508 -0.019746840 0.017464442 0.003207097 -0.000893219 0.002522874 0.006538812 -0.004827854 -0.002001145 -0.001300096 0.008102228 0.018465061 -0.014302173 -0.002218420 -0.000412772 0.000725442 0.005142725 -0.003999712 -0.000344063 0.001186428 0.002059331 0.005971824 -0.003709168 -0.002005011 -0.001599710 0.001600295 0.005209872 -0.005091516 -0.002285613 -0.002559185 0.474961666 -0.080676597 0.159833221 0.079063676 -0.106854685 0.150096282 -0.111625596 0.085272353 -0.083353230 0.126906979 -0.009441133 0.008201025 0.017714273 0.003397279 0.083979594 -0.017618796 -0.007090347 -0.014713599 -0.002374793 0.088111879 -0.047780382 0.007156548 0.013590892 0.001802308 0.002660724 -0.000108146 -0.000051426 -0.006077389 -0.020167334 -0.000671843 -0.023596396 0.000085511 0.005252414 0.018985441 -0.001058599 -0.180469178 0.000707317 -0.005716733 -0.019090503 -0.000480953 -0.002428919 0.000574244 -0.000207914 0.000513991 0.000317966 -0.002484284 -0.000493745 0.000177451 0.000258919 0.000435327 -0.010131849 -0.000102168 0.000727802 0.000973506 -0.000135185 0.000362390 0.001083289 -0.000591312 0.000255939 -0.000086633 -0.005844365 0.000161042 0.000463651 -0.001931805 -0.000316016 -0.018707963 0.000202586 -0.002336519 -0.006170539 -0.000002628 -0.002655070 0.000063754 -0.000862194 0.000007022 0.001062478 -0.007697849 0.000237376 0.001552371 0.001787868 0.000543562 -0.005953667 0.000017955 -0.000736259 0.001030382 -0.000210449 0.000699505 0.000035515 -0.000098874 0.000081555 0.000076449 0.000572381 0.000038626 -0.000100723 -0.000005904 0.000246549 -0.000025475 0.000019424 -0.000034547 0.000062751 0.000262142 0.000042214 -0.000129822 0.000285428 0.000011681 -0.000030310 0.001598689 -0.000561160 -0.000128698 -0.001175133 -0.000261437 0.001229206 -0.000400906 0.000041188 0.000172044 0.000080440 0.000785119 0.000058740 0.000100952 0.000230707 0.000121670 0.001081831 -0.000205805 0.000164408 0.000069710 -0.000208021 0.000411968 0.000076250 -0.000020480 0.000116706 0.000123739 0.000193489 -0.000018370 -0.000001769 0.000013371 -0.000011061 0.000616521 -0.000020834 0.000008547 -0.000038691 -0.000003866 0.000552313 -0.000031662 0.000044027 0.000029673 -0.000043719 0.000016958 -0.000021885 -0.000032667 0.000032281 -0.000011271 -0.000081903 0.000016854 -0.000002464 0.000017257 0.000000465 -0.000072033 0.000016077 0.000029135 -0.000039777 -0.000013852 -0.000102313 -0.000032321 -0.000001654 0.000070449 -0.000015731 0.000136368 0.000060711 -0.000048786 0.000171292 -0.000015553 0.000098281 0.000094376 -0.000091880 -0.000068422 0.000062357 0.000090948 0.000007030 0.000002411 0.000022540 -0.000004909 0.000031998 0.000003161 0.000012084 0.000020435 -0.000004202 -0.000021355 0.000000264 0.000008879 0.000031167 -0.000000121 -0.000087598 0.000000677 0.000000657 -0.000064483 0.000017942 -0.000072347 -0.000017307 -0.000052348 -0.000164230 0.000019617 -0.000120566 0.000019829 0.000058086 0.000165780 -0.000006199 0.000034056 0.000023621 -0.000011991 -0.000000522 0.000005180 0.000010879 -0.000019515 -0.000054553 -0.000166867 0.000005249 0.000097200 0.000037704 -0.000014105 0.000018674 0.000019754 -0.001918717 0.004159276 -0.001249639 0.000378918 0.001520822 0.000073697 -0.001926314 -0.000397113 0.000054386 -0.000423202 -0.000944461 0.000456460 0.000331505 -0.000790074 0.000039965 0.064737672 -0.020995551 0.001000125 0.008224586 -0.011676396 0.023809078 0.018764256 0.001259918 -0.009388781 -0.026954700 -0.094099469 -0.013025319 -0.002405005 0.007460076 0.005571813 -0.011922561 -0.004628543 -0.000470424 0.002594470 0.000736375 -0.002084230 -0.001504208 0.000821864 0.000574783 0.000830017 0.003827360 0.002145141 0.000485958 -0.000739377 -0.000237819 0.001751844 0.000802445 0.000914256 -0.000409705 -0.001092753 0.002348188 -0.000423060 0.000434580 -0.000162656 -0.001367915 0.001872960 0.000157838 -0.000225940 0.000041174 0.001998006 -0.000067543 0.000013197 0.000018722 -0.000019461 -0.000014029 -0.000014219 0.000034628 -0.000033318 -0.000024877 -0.000004472 0.000102951 -0.000073671 0.000041109 0.000068076 0.000000514 -0.000001172 -0.000000871 0.000000797 -0.000001786 -0.000038123 -0.000034239 -0.000027230 0.000030511 0.000009729 -0.000035042 -0.000057495 -0.000008559 0.000014484 0.000000055 -0.000027338 0.000026794 -0.000003289 -0.000018153 0.000009307 0.000032243 0.000011503 0.000001954 -0.000015282 0.000006826 0.000003693 -0.000012893 0.000009676 -0.000016351 -0.000002657 0.000004523 0.000020362 -0.000002750 -0.000004934 0.000003837 0.000007732 0.000038732 -0.000034097 0.000024819 0.000028584 0.000013842 0.000077298 -0.000020060 0.000018195 0.000018146 0.000018935 0.000323368 0.000136038 -0.000305433 0.000003933 0.000078173 0.000077781 -0.000189167 0.000048920 0.000152599 0.000033996 0.000166197 0.000068264 -0.000079669 -0.000094941 -0.000014421 0.000042278 0.000002324 0.000016561 0.000004290 0.000010683 -0.000018139 0.000001300 0.000008271 -0.000009804 -0.000018042 0.000134704 0.000039653 -0.000034668 0.000003724 0.000027072 0.000009386 0.000009473 -0.000037089 -0.000009311 0.000004738 -0.000002584 0.000012933 0.000001127 -0.000005763 0.000014156 0.000011295 -0.000074096 0.000152360 0.000025977 -0.000035446 -0.000569764 0.000153931 0.000352714 -0.000080795 0.000221217 -0.000481649 0.000089464 0.000415001 -0.000556541 0.000702674 -0.000448423 -0.000181654 -0.000106174 -0.000375480 0.000194308 0.000028673 -0.000242266 0.000142817 0.000242927 -0.000073529 0.000128804 -0.000183845 0.000270582 0.000248769 -0.000048025 0.000008893 0.000708470 0.000039339 -0.000382597 -0.000054766 0.000267206 0.000178026 -0.000385815 0.000050685 0.000186176 0.000114491 0.000088506 -0.000394135 -0.000072806 -0.000037889 -0.000442469 0.000000454 -0.000182766 -0.000197135 0.000090776 0.006995735 -0.000259543 0.000190524 0.000002309 -0.000558895 -0.002151568 -0.000330045 -0.000324717 -0.000278205 -0.004546678 -0.006270472 -0.001117457 0.001303265 0.000409168 -0.002006719 -0.002013567 -0.000123890 0.000225573 0.000007872 -0.000797471 -0.001287732 0.000019110 0.000053475 0.000133019 0.001178678 -0.001425455 0.000399470 -0.000583278 -0.000115461 0.000595311 0.001126722 0.000007960 0.000007845 -0.000021846 0.000578151 0.000945465 -0.000021699 0.000053671 0.000156204 0.001570780 0.000344245 0.000108652 -0.000309269 -0.000014048 -0.000053444 0.276070288 0.020364691 0.057403690 -0.002702585 -0.011153405 0.580240029 -0.009229522 -0.033104917 -0.023380543 0.515040392 0.000322244 -0.005727609 0.004607094 -0.036717270 0.494061268 0.000608339 0.000420142 -0.262853637 -0.022858538 0.073630381 0.000068858 0.000202458 -0.022048979 -0.052647890 0.009895002 -0.000252557 0.001164096 0.073490949 0.010492648 -0.073915692 -0.000257565 -0.000385931 -0.135813739 0.093574115 -0.074431357 0.000825866 0.000380309 0.091808274 -0.149594467 0.082304846 -0.000332574 0.001207283 -0.073767565 0.082456727 -0.112237251 0.000644359 0.000982689 -0.095030146 -0.034305773 -0.002626230 0.000803388 0.000279560 -0.037039328 -0.191893504 -0.011014048 -0.002492242 -0.006476327 -0.005720052 -0.012397893 -0.083226618 -0.000050256 -0.000154362 -0.009503253 -0.000912631 0.001544689 0.000104460 0.000120976 -0.032569630 -0.003264127 0.007046427 0.000078687 0.000025014 -0.004784481 0.001054732 0.001178668 0.000040536 0.000289977 0.005441081 -0.007088786 0.006671106 0.000553595 0.000104805 0.016933710 -0.021694033 0.018189618 -0.000055753 0.000012531 0.002873147 -0.003977062 0.003337770 -0.000643056 -0.000802780 0.000520040 -0.002807751 -0.011669315 -0.000413070 -0.001759548 0.004874085 -0.009957712 -0.032711698 0.000182260 0.000224480 -0.000827030 -0.006825938 -0.005679588 0.000005976 0.000054798 0.000180939 -0.000362688 0.000524766 -0.000122249 -0.000343208 0.000955282 0.001227173 -0.003178876 -0.000239661 -0.000654328 0.002057525 0.000188006 -0.006321147 0.000070793 0.000069652 0.000540596 -0.000473688 -0.000604823 0.000010314 0.000044600 0.001764289 0.000707198 0.000156651 -0.000019053 0.000014086 0.000937912 0.001730304 0.001248053 0.000071823 0.000087335 -0.000328748 0.000271501 0.000512247 -0.000145053 -0.000122457 -0.000561517 0.001720847 -0.001232483 -0.000082222 0.000119444 0.000804657 -0.000234083 0.000193452 -0.000009997 -0.000033378 -0.000154332 0.000026031 -0.000368690 0.000006141 0.000010690 -0.000242448 0.000113435 -0.000020349 0.000017294 0.000005325 -0.000001697 -0.000068972 -0.000025832 0.000002177 0.000007507 0.000769240 -0.000498942 -0.000114435 0.000042229 0.000088020 0.000222490 -0.000578977 -0.000269423 0.000027426 0.000008535 -0.000268921 0.000076140 -0.000607693 -0.000026902 -0.000019706 0.000147586 0.000271071 -0.000055199 0.000026686 0.000036486 0.000408348 -0.000647271 -0.000032521 -0.000094758 -0.000080811 0.000241446 0.000643331 0.000239667 -0.000312283 0.000991412 0.002833498 -0.000005997 -0.000923094 -0.000242795 -0.000093859 -0.002040734 -0.000665796 0.000412495 0.000744521 -0.000148386 0.000924322 -0.000298770 0.000526728 -0.003346827 0.004407012 -0.004661343 0.002284639 0.011793995 0.000791566 0.012148954 0.002675464 0.001296532 0.000189368 0.004179962 -0.001010541 0.032026847 0.000779125 -0.016065882 -0.000437324 -0.000074698 0.000488465 -0.000002228 -0.001094985 0.000415520 -0.000462501 0.000013934 0.000132882 0.000271729 0.000403340 0.000234171 0.000084769 -0.000429858 0.001700920 -0.001081981 0.000648511 -0.001855301 -0.000196238 -0.000078184 -0.000504018 0.000716106 -0.001162025 -0.000183204 -0.000151342 0.000605948 -0.000692997 -0.000039614 0.000197428 0.000372892 -0.000058717 0.000001732 0.000006606 -0.000014567 -0.000003312 0.000007062 -0.000004766 0.000023762 -0.000006568 -0.000007910 0.000026973 -0.000001449 -0.000043065 0.000012556 0.000028472 -0.000041732 0.000011795 -0.000023190 -0.000009594 0.000004384 -0.000036054 0.000012049 -0.000030112 0.000011622 0.000000046 -0.000029404 -0.000000647 -0.000012839 0.000007823 -0.000007707 0.000063206 -0.000012461 0.000013844 0.000008568 -0.000001960 0.000018884 -0.000000332 0.000005753 -0.000002305 0.000001656 0.000020490 -0.000006385 0.000015389 0.000006200 -0.000009230 0.000021563 -0.000002879 0.000002352 0.000003808 0.000002127 0.000014784 -0.000003358 -0.000015648 0.000008592 0.000009693 0.000003455 0.000002600 -0.000008829 -0.000012761 0.000022378 0.000123604 -0.000189984 0.000179268 -0.000083812 0.000012571 0.000160371 -0.000100256 -0.000044296 0.000094856 -0.000002411 0.000004774 -0.000009150 0.000059670 -0.000013146 -0.000030153 0.000000585 0.000010141 -0.000007475 -0.000004301 0.000010412 -0.000011203 0.000002769 -0.000006048 0.000001508 -0.000006639 -0.000017449 0.000012314 0.000012682 -0.000047521 0.000033065 0.000060139 0.000002545 0.000022341 0.000015978 -0.000010425 -0.000011750 -0.000009990 0.000002340 -0.000014675 -0.000000518 -0.000105003 0.000077431 -0.000108384 0.000017464 0.000019995 -0.000445614 -0.000230095 -0.000028433 -0.000222105 -0.000167004 -0.000339566 -0.000058663 0.000136649 0.000140376 -0.000192707 -0.000202272 -0.000174431 -0.000110206 -0.000111863 0.000142416 0.000003192 0.000180771 -0.000240304 0.000165520 0.000005973 -0.000232225 -0.000026345 -0.000269511 -0.000025806 0.000023121 -0.000039149 0.000110501 0.000080296 -0.000278220 0.000062022 0.000430914 -0.000184114 0.000360722 0.000016861 -0.000038968 0.000104761 0.000051184 0.000166996 -0.000107578 0.000054339 0.000122945 -0.000176971 0.000128488 0.000025157 -0.000186926 0.001170317 0.002161405 -0.001468170 0.000184489 0.000769165 -0.001327310 0.002770421 -0.002136309 -0.000319751 0.001265165 -0.001985500 0.000370527 -0.000775974 0.000821512 0.000274105 -0.000936267 -0.000532738 -0.000293544 0.000251337 -0.000377031 0.000651791 -0.000622684 0.001063113 0.000100733 -0.000346317 0.000114977 -0.000410228 0.001018680 -0.000608630 0.000043684 0.000300874 -0.000137192 0.000226878 -0.000040806 -0.000210073 0.001150023 -0.000809768 0.000360983 0.000642204 -0.000295203 0.001209268 0.000570624 -0.000295337 0.000265186 0.000393081 0.284362693 0.028791508 0.056198250 -0.082901898 -0.006883131 0.080611132 -0.015620105 0.018168292 -0.015358239 0.140817046 -0.002514124 0.002697436 -0.002779811 -0.099318273 0.164496210 0.006257269 -0.007796568 0.005768487 0.083385024 -0.087397342 -0.010288778 -0.031396019 -0.005519887 0.006396659 0.018602257 -0.000629405 -0.004159958 -0.001823256 -0.008180711 -0.020841889 0.003188313 0.008886286 0.000587153 0.006281945 0.017118393 0.000584570 -0.002097398 -0.000100604 0.001059375 -0.000202227 -0.002524222 -0.005974385 -0.001476574 0.000282344 0.001142364 0.000029864 -0.001189146 0.000001089 0.000635747 0.000027109 0.000556463 0.000500301 0.000486259 0.000553435 -0.002212113 -0.000442312 0.000961736 0.000099908 -0.002786058 -0.005829740 0.000055161 0.000312990 -0.000123613 -0.000175335 -0.001856091 0.000340451 -0.000968873 -0.001250989 -0.000061088 0.000253605 0.000814012 0.001447875 -0.000206571 0.000739246 0.000222129 0.000681245 0.001111613 0.000728545 -0.000191297 0.000957828 0.000465258 0.000405604 -0.000019776 0.000070772 -0.000230864 0.000085880 0.000225764 0.000088012 0.000054592 0.000212031 -0.000112012 0.000356898 0.000073950 0.000231196 -0.000183663 0.000471061 0.000836577 0.000191617 0.000083485 -0.000090228 -0.000512929 -0.000130147 0.000001118 -0.000044923 -0.000013556 -0.000922582 -0.000615666 0.000187374 -0.000092286 -0.000058268 0.000016176 0.000094294 -0.000047692 0.000405297 -0.000122752 -0.000219519 0.000014461 0.000038896 0.000503304 -0.000279360 -0.000293915 -0.000199608 0.000146559 -0.000798347 -0.000182031 0.000230495 0.000077717 0.000068653 -0.000134267 -0.000125247 0.000115674 -0.000100633 0.000033749 0.000021848 -0.000107477 0.000151100 0.000151283 0.000053806 0.000044540 -0.000051924 -0.000335064 -0.000017681 0.000068068 -0.000104524 0.000151199 0.000078915 -0.000033341 0.000118579 -0.000526721 0.000420544 -0.000075578 -0.000026198 0.000054049 0.000024715 -0.001036403 0.000019141 -0.000033358 0.000074122 -0.000096733 -0.000067672 0.000007948 0.000045444 0.000030809 -0.000375392 0.000517527 -0.000112744 -0.000063572 -0.000019817 0.000051922 -0.000039123 0.000432757 -0.000237127 -0.000993280 -0.000017934 -0.000231258 -0.000595082 0.000656798 0.001143599 0.000182146 0.000565604 0.000473616 -0.000013983 -0.000616820 -0.000114135 0.000104407 0.000626206 -0.000344410 -0.000969935 0.000993442 -0.000548482 -0.000054217 0.001316996 -0.000608288 -0.001069916 0.000374604 0.002609751 -0.001906077 -0.006584351 0.000342895 0.000309983 0.000195076 -0.000219795 0.000179387 0.000277679 -0.000153524 -0.000205088 0.000034197 -0.000140523 0.000326771 -0.000085969 -0.000387213 0.000307303 -0.000004616 -0.000280558 0.000298250 -0.000580574 0.000423886 0.001165195 0.000231986 -0.000185925 -0.000263159 0.000291770 0.000712257 0.000124090 0.000004366 0.000273871 -0.000046418 -0.000366089 -0.000133570 -0.000010772 -0.000024993 0.000004967 0.000024486 0.000003000 -0.000000846 -0.000007035 0.000001768 0.000005237 0.000002514 0.000001287 0.000020067 -0.000004072 -0.000014772 -0.000006656 -0.000002012 -0.000014395 0.000003365 0.000016447 0.000007339 -0.000002707 -0.000026660 0.000003111 0.000029163 0.000006439 -0.000002379 -0.000026240 0.000004232 0.000026139 0.000008721 -0.000003576 0.000027488 -0.000004338 -0.000027194 -0.000005977 0.000002487 0.000008570 -0.000000198 -0.000009108 0.000001152 0.000000296 -0.000005326 0.000000719 0.000003026 0.000003111 -0.000000366 0.000007188 -0.000001575 -0.000007619 -0.000001553 0.000000518 0.000013338 -0.000003108 -0.000011490 -0.000005607 0.000000075 0.000034981 -0.000006358 -0.000031939 -0.000015222 0.000005439 0.000055058 -0.000012308 -0.000073587 0.000003712 0.000009138 0.000007183 -0.000000707 -0.000001548 0.000002839 -0.000011311 -0.000054542 0.000008739 0.000044609 0.000027878 -0.000010285 0.000017726 -0.000002829 -0.000017556 -0.000006379 -0.000000595 -0.000016190 0.000001811 0.000017594 0.000001186 0.000000595 0.000049181 -0.000006852 -0.000050910 -0.000009764 0.000002070 -0.000005460 0.000002108 0.000003239 0.000005806 -0.000000719 0.000016769 -0.000003682 -0.000016619 -0.000007125 0.000002485 -0.000021163 0.000001597 0.000033210 -0.000004846 -0.000004390 0.000005164 0.000007903 0.000010519 -0.000046905 0.000019783 0.000092686 -0.000027048 -0.000109249 -0.000082510 0.000024561 0.000098910 -0.000007660 -0.000056716 0.000033332 -0.000025618 -0.000032375 -0.000000561 0.000060947 -0.000013464 -0.000015287 -0.000081593 0.000020423 0.000110224 0.000019032 -0.000025563 -0.000031662 0.000007358 0.000043778 0.000033608 -0.000016243 0.000076222 -0.000013941 -0.000114320 0.000012615 0.000006326 0.000009433 0.000008059 -0.000031051 0.000030618 0.000006338 0.000027265 -0.000004041 -0.000038247 -0.000010872 0.000013197 0.000128506 0.000001697 0.000087576 -0.000097163 0.000023790 -0.000909684 0.000206732 0.001131547 0.000328194 -0.000091575 -0.001035978 0.000074899 0.001052709 0.000283775 -0.000184494 -0.000581142 0.000096177 0.000637688 0.000250713 -0.000139552 0.000333818 -0.000085920 -0.000506653 -0.000133790 0.000069941 0.000564310 -0.000103247 -0.000735701 -0.000165285 0.000114201 0.000140133 0.000000551 -0.000144246 -0.000058210 0.000021009 0.000134629 -0.000017401 -0.000142538 -0.000056330 -0.000006048 0.000049873 0.000016944 -0.000004802 -0.000025896 0.000027685 0.126974113 0.003690136 0.594005975 -0.003461312 -0.023886636 0.518260550 0.002733069 0.009311423 -0.039106963 0.529672050 -0.000095663 -0.296287120 -0.018241325 0.055708544 0.316889416 0.000641549 -0.016895658 -0.049149537 0.005253435 0.021418675 0.000367765 0.055661950 0.005032043 -0.060880506 -0.063718149 -0.000395894 -0.112280937 0.077182208 -0.080068887 -0.013110643 -0.000918903 0.077578168 -0.145304603 0.100908018 -0.001720503 0.000300513 -0.080009700 0.101104761 -0.152677995 0.003782000 0.000591354 -0.086565747 0.008061820 0.018442347 -0.003599918 0.000057869 0.006226985 -0.096537979 -0.036618246 0.000044418 0.000120465 0.019851646 -0.034556875 -0.188774733 0.000193855 -0.000126601 0.001121787 0.006511024 0.001127871 0.000400204 0.000185264 -0.003317862 -0.009726807 0.000269285 0.000506205 0.000135991 -0.010172910 -0.031921480 -0.002681115 0.000334842 -0.000037724 -0.005132274 -0.000627117 0.001363815 0.001312896 -0.000063294 0.010717648 0.000153980 -0.002290843 0.000527928 0.000007650 0.032298232 0.000943343 -0.007941021 0.000371388 0.000000008 0.002779789 -0.003922370 0.000723045 0.001239347 -0.000148554 -0.006966537 0.008757361 -0.004327595 -0.000023796 -0.001192731 -0.017287106 0.017238324 -0.025858717 -0.000572153 -0.000008630 0.000909661 -0.000326580 0.001273433 0.000262270 0.000118189 -0.000549548 0.000579086 -0.000954552 -0.000385761 0.000060449 -0.001462341 -0.000399678 0.001736503 0.000794701 -0.000323388 0.000202763 -0.000743783 0.000519602 0.000007131 -0.001129461 0.000059873 -0.000015020 -0.000757384 0.000059081 -0.001617001 0.000710012 0.000341499 0.000877783 -0.000073145 0.000014241 -0.001710756 0.002369138 -0.001090049 0.000246693 -0.000177320 0.002390510 -0.002211060 0.001663273 0.000014306 0.000101463 -0.003837737 0.004209493 -0.001385462 -0.000002974 0.000932978 -0.001282418 0.001540864 -0.000300873 -0.000293304 -0.000531504 0.000578227 -0.001535758 0.000463355 0.000820568 0.000125068 0.000444119 -0.000520886 0.000426164 -0.000011691 -0.001389414 0.000028914 -0.000760222 -0.000934405 0.000508318 -0.000318351 -0.000017210 -0.000833523 -0.000018147 0.001181586 0.002276838 -0.000329105 0.000139392 -0.000505911 0.001180758 0.000859667 -0.000079114 -0.000106694 0.000149331 0.000010848 -0.000368501 0.000131316 0.000014314 -0.000080120 -0.000043461 -0.000186682 -0.000079457 0.000030213 -0.000060748 -0.000089408 0.000134089 -0.001188356 -0.000134647 0.000241067 0.000084516 -0.000042290 -0.000102258 -0.000382274 0.000360687 0.000008910 -0.000042203 -0.000467951 0.000182256 0.000188880 -0.000210355 0.000001631 -0.000003708 0.000001829 0.000005265 -0.000010619 0.000013267 -0.000002078 -0.000002709 0.000006061 -0.000000980 -0.000025557 0.000003461 0.000003415 -0.000024765 0.000011027 0.000004105 0.000002986 -0.000000720 -0.000000279 -0.000007509 -0.000006453 0.000008385 -0.000005857 0.000014385 -0.000015738 0.000001613 0.000003358 -0.000006122 0.000014863 -0.000013387 -0.000000926 -0.000003185 -0.000001574 -0.000001736 0.000012996 0.000004154 -0.000002259 -0.000000631 -0.000000541 0.000004775 0.000006902 -0.000001926 -0.000004505 0.000008853 -0.000001135 -0.000000764 -0.000000043 -0.000001006 -0.000002031 0.000003643 -0.000014358 0.000002533 0.000001881 -0.000007986 0.000005226 -0.000017156 0.000003811 0.000009705 -0.000025433 0.000013997 0.000090187 -0.000031426 -0.000023484 0.000010237 0.000043618 -0.000034254 -0.000009387 -0.000004949 -0.000006707 0.000019235 0.000049248 -0.000013959 -0.000015509 0.000050058 -0.000018011 -0.000005526 -0.000003194 0.000009859 -0.000020235 0.000008352 -0.000003010 0.000002950 -0.000004951 0.000007360 -0.000007852 0.000009736 -0.000009217 0.000015435 -0.000038763 0.000024037 0.000011642 -0.000002855 -0.000008744 0.000016129 -0.000000077 -0.000003931 -0.000000826 0.000005511 -0.000013860 0.000006504 -0.000045885 0.000016905 0.000011367 -0.000016909 -0.000017771 -0.000059049 -0.000021516 0.000072519 -0.000099975 0.000026344 -0.000074587 0.000052266 0.000038476 0.000106511 -0.000015304 0.000034607 -0.000071128 0.000003316 -0.000062514 0.000086465 -0.000091923 -0.000005942 0.000037100 -0.000033046 -0.000014758 -0.000084716 -0.000066398 0.000008316 -0.000100160 0.000023650 0.000142818 -0.000104932 -0.000026694 -0.000059455 0.000043603 0.000129134 -0.000050504 -0.000037000 0.000053713 0.000062909 0.000110620 -0.000028097 -0.000023225 0.000003278 0.000027245 0.000036803 -0.000014704 0.000012187 0.000033823 0.000020981 -0.000195776 0.000016338 -0.000047189 -0.000203158 0.000127757 0.000019766 0.000310644 -0.000178487 -0.000279355 -0.000473423 -0.000117878 0.000377693 -0.000040232 0.000547647 -0.000724040 0.000154239 0.000032807 -0.000149267 0.000395903 -0.000327105 -0.000055229 -0.000063547 0.000115054 0.000008741 0.000158128 0.000051904 -0.000051689 0.000172257 -0.000376196 0.000276544 -0.000032782 -0.000118981 0.000002443 0.000040649 0.000114740 0.000014100 -0.000165504 -0.000122696 0.000274773 0.000189581 0.000006208 0.000007083 -0.000069081 -0.000199631 0.000095821 0.054892163 -0.002329922 0.067889450 0.018432493 -0.019699111 0.114167667 0.001582173 -0.002115114 -0.082193186 0.160941984 -0.004945680 0.004869834 0.086783018 -0.105654866 0.168358023 0.010915240 0.030807804 0.002370679 -0.006890390 -0.015937739 -0.000086335 0.001960204 -0.004319177 0.006780294 0.018428635 -0.002945735 -0.008731805 0.005878544 -0.008805883 -0.019208683 0.000401416 -0.000415829 0.000021072 -0.000451800 -0.000461276 0.000121481 0.000080722 -0.000219175 0.000857454 -0.000220669 0.000390949 0.001091823 -0.000583304 0.000207450 0.000904666 0.000168439 0.001195395 0.000650044 -0.000029270 0.000460773 -0.000006402 -0.002010519 -0.000504666 0.000202672 0.000421156 -0.002501173 -0.005637969 -0.000318808 0.000611393 0.000892250 -0.000492347 0.001406118 0.000356029 0.000521695 0.002259811 0.000004789 0.000057077 0.000362970 -0.000193968 -0.003583823 0.000637801 0.001548048 0.000673252 -0.002359777 -0.004776945 -0.000171506 -0.000917915 0.000403250 0.000027125 0.000047590 0.000158653 0.000240234 -0.000111655 -0.000156927 -0.000211778 0.000133033 -0.000300219 0.000299950 0.000082805 0.000239368 -0.000048905 -0.000038239 -0.000028622 0.000060494 0.000162750 0.000023917 -0.000020393 0.000043120 0.000127900 0.000057749 -0.000044431 -0.000086208 -0.000094473 -0.000276519 0.000169884 0.000084624 -0.000310220 0.000415437 -0.000175482 -0.000848501 -0.000124577 -0.000183422 0.000036769 0.000349961 0.000965424 0.000047709 0.000481511 0.000046109 -0.000643744 -0.001416751 0.000308255 -0.000093095 0.001027908 -0.000908426 0.000516769 -0.000954057 0.000345120 -0.002154893 0.000738071 0.000499179 0.000125066 0.000152302 0.000260697 0.000316810 -0.002349010 0.000383407 0.000235853 -0.000223623 0.000125195 0.000010650 0.000297876 0.000186914 -0.000604221 0.000334683 0.000332024 0.000551281 -0.000022005 0.000458339 -0.000519849 -0.000052935 0.000113856 -0.000007063 -0.000011331 -0.000160681 -0.000045284 -0.000290648 -0.000034886 -0.000169486 0.000106896 0.000077108 -0.000196210 -0.000140508 -0.000039376 0.000103072 0.000039347 -0.000072954 0.000005678 0.000398226 -0.000297753 -0.000239849 -0.000149208 0.000009344 -0.000190554 0.000060717 0.000003713 0.000114952 0.000125518 0.000180225 -0.000048489 -0.000024840 -0.000010341 -0.000007580 0.000005079 -0.000001531 -0.000003930 0.000000286 -0.000001210 0.000001969 -0.000001873 -0.000001843 0.000006430 0.000009618 -0.000005219 0.000007383 0.000007063 -0.000006282 -0.000006700 0.000003446 -0.000003426 -0.000002106 -0.000014140 -0.000014431 0.000003356 0.000000358 -0.000004733 -0.000012412 -0.000013516 0.000004437 -0.000001960 -0.000004039 0.000008718 0.000009955 -0.000007662 0.000002663 0.000004017 0.000001541 0.000003448 -0.000003643 -0.000000683 0.000001549 -0.000001070 -0.000002106 0.000000502 -0.000001109 -0.000001464 0.000003823 0.000003156 -0.000001518 0.000000952 0.000001086 0.000003875 0.000005329 -0.000003533 0.000004572 0.000003520 0.000012714 0.000016610 -0.000008030 0.000007373 0.000006985 0.000043506 0.000030910 -0.000005128 -0.000006856 -0.000000247 0.000000879 0.000008634 -0.000006707 0.000007057 0.000011130 -0.000016599 -0.000023384 0.000015588 -0.000011675 -0.000014799 0.000008700 0.000009229 -0.000000031 0.000000500 0.000004614 -0.000006911 -0.000007351 0.000002399 0.000001822 -0.000003054 0.000023520 0.000024266 -0.000004043 -0.000002602 0.000007509 -0.000004020 -0.000002493 -0.000004015 -0.000001385 -0.000001166 0.000009318 0.000006733 0.000000864 0.000000751 0.000002559 -0.000010455 -0.000012252 0.000009254 0.000004940 -0.000001046 0.000005274 0.000019910 0.000017040 0.000001147 0.000005469 0.000046783 0.000034502 -0.000012617 0.000028932 0.000001764 0.000058145 0.000042831 0.000004944 -0.000001461 0.000013629 -0.000001742 -0.000027643 0.000051769 -0.000013708 -0.000019263 -0.000026865 -0.000025519 0.000042035 -0.000010998 -0.000006855 0.000028807 0.000008610 0.000054066 -0.000025540 -0.000024327 0.000044180 0.000040333 -0.000026283 -0.000007521 0.000006526 0.000002767 0.000017663 -0.000022704 -0.000015689 -0.000000132 0.000015815 0.000020711 -0.000004469 -0.000009319 0.000000606 0.000150008 0.000140651 -0.000034246 0.000059889 0.000011728 -0.000509769 -0.000436663 0.000078133 -0.000063235 -0.000076668 -0.000603554 -0.000608737 0.000193714 -0.000053417 -0.000159821 -0.000352149 -0.000328926 0.000069947 -0.000069923 -0.000070773 0.000155070 0.000161447 -0.000050472 0.000035976 0.000036874 0.000272372 0.000264792 -0.000072697 0.000025063 0.000079963 0.000072328 0.000099174 -0.000037521 0.000019724 0.000022301 0.000132548 0.000123544 -0.000085149 0.000043646 0.000028854 0.000081980 0.000065548 -0.000048076 0.000010656 0.000041542 0.572765760 0.028410193 0.567194587 -0.016133074 0.001854615 0.480887888 -0.071351506 -0.069366530 -0.003272698 0.070692562 -0.067692980 -0.283705632 -0.012968424 0.072376474 0.306558859 -0.003039820 -0.013215352 -0.047673694 0.006013269 0.013456682 -0.288895461 -0.009742183 0.051296540 -0.007070317 -0.000088983 -0.011611645 -0.051285374 0.002143124 -0.029661659 0.000398057 0.052050162 0.002020957 -0.058687159 -0.002123258 0.000056809 -0.117044247 0.035231007 -0.045079407 0.004958568 -0.004989566 0.035171215 -0.120862785 0.044715550 0.018399073 -0.016073528 -0.044210720 0.047182613 -0.140648444 0.000095218 -0.000631927 -0.016374803 -0.000493614 0.003543611 0.000678532 0.000365288 0.018312806 0.000255020 -0.004007084 0.000024005 0.000274255 -0.023983101 -0.000858255 0.005010147 0.000720444 -0.000371336 0.006145023 0.018265466 0.000126033 -0.001112455 0.002417307 -0.005350297 -0.015388089 0.000230970 0.002421973 -0.000591900 0.008718004 0.022386864 0.000438176 -0.002727503 0.002710702 0.002289450 -0.008539398 -0.016326416 0.000572136 -0.000185729 -0.003513262 0.007735001 0.018482387 -0.000621432 0.000908119 0.004954921 -0.010541874 -0.018757789 0.000601163 0.000404839 0.000366451 -0.000745029 0.000085387 -0.000040040 -0.000030210 -0.000121064 0.000903463 -0.000136648 0.000071823 0.000341911 -0.000358790 0.000261771 0.000085540 -0.000043026 -0.000142615 0.000331039 -0.000157809 0.000021490 0.000015341 0.000048451 0.000680809 0.000672322 0.000120505 -0.000027465 0.000143111 0.001189148 0.000648318 0.000561455 -0.000249014 -0.000253678 0.000065411 0.000057163 -0.000018334 0.000008300 0.000030821 -0.000091814 -0.000031193 -0.000036293 0.000012897 0.000017091 -0.000101897 -0.000076444 -0.000038631 0.000012603 0.000003276 0.000308806 -0.000096124 -0.000173641 0.000041798 0.000335169 -0.000013145 0.000058151 -0.000110437 0.000041349 0.000200782 -0.000039722 -0.000074868 0.000149576 -0.000040324 -0.000134745 0.000000621 -0.000003681 -0.000006090 0.000000839 0.000003063 0.000003338 0.000001144 -0.000002480 0.000000612 0.000001796 -0.000000615 0.000002809 0.000010672 -0.000003007 -0.000008920 -0.000002975 -0.000003288 -0.000004670 0.000001311 0.000001356 -0.000004911 -0.000004416 -0.000009849 0.000003666 0.000007835 -0.000002612 -0.000003458 -0.000012195 0.000003691 0.000009274 0.000000173 0.000004206 0.000006498 -0.000001581 -0.000000937 -0.000000864 0.000000922 0.000001585 -0.000000565 0.000000122 0.000002584 0.000001376 -0.000004481 0.000001380 0.000004381 0.000001477 0.000001573 0.000002004 -0.000000316 -0.000000975 -0.000001055 0.000002019 0.000006301 -0.000001761 -0.000004714 -0.000001751 0.000003063 0.000020304 -0.000006157 -0.000016804 0.000024781 0.000023151 0.000011058 -0.000002383 -0.000002658 0.000009824 0.000014245 0.000001423 -0.000001979 -0.000001809 0.000007670 -0.000003569 -0.000027845 0.000008344 0.000024024 0.000001223 0.000000686 0.000009430 -0.000003912 -0.000010498 0.000000649 -0.000001865 -0.000005273 0.000002280 0.000005641 0.000001425 0.000000846 0.000020020 -0.000006717 -0.000017378 0.000001209 0.000002083 -0.000006951 0.000002119 0.000008438 0.000000792 0.000000155 0.000007849 -0.000002167 -0.000006810 -0.000009066 -0.000010524 0.000000424 0.000000808 -0.000004679 0.000007923 -0.000008131 0.000022035 -0.000009405 -0.000023072 -0.000028126 0.000009339 0.000033661 -0.000008485 -0.000021392 0.000031671 0.000014422 0.000035947 -0.000010459 -0.000021864 0.000008652 -0.000016601 -0.000001398 0.000001980 -0.000005948 0.000038139 -0.000014695 -0.000010360 0.000003244 0.000007783 0.000060149 -0.000007663 -0.000003916 0.000002019 0.000011999 0.000039732 0.000040932 0.000003478 -0.000003237 0.000010594 0.000015606 0.000012978 -0.000008664 0.000001782 0.000013082 0.000013449 0.000018659 0.000005937 -0.000003552 -0.000002662 0.000035051 0.000004510 0.000151884 -0.000021869 -0.000116073 -0.000241659 -0.000284062 -0.000281737 0.000092783 0.000139193 -0.000276477 -0.000209434 -0.000435871 0.000121264 0.000281117 -0.000110638 -0.000044338 -0.000287493 0.000072497 0.000214252 0.000067667 0.000068033 0.000114934 -0.000038937 -0.000062501 0.000055920 0.000031196 0.000231704 -0.000070974 -0.000185787 0.000055344 0.000071943 0.000047846 -0.000014258 -0.000005017 0.000150062 0.000161790 0.000017522 -0.000009324 0.000036480 0.000081524 0.000005722 0.000025932 -0.000005947 -0.000024075 0.057002103 0.001486097 0.312678466 0.006590716 0.008591983 0.050213199 -0.000234327 -0.055670777 -0.003243274 0.067948745 0.006662515 -0.015758563 0.018948736 -0.024574040 0.553461972 0.024035807 -0.000800332 0.000124915 -0.000642536 0.022822228 -0.000600412 0.003544989 -0.003475951 0.004139826 -0.032803850 0.000057093 -0.000447496 0.002538635 -0.002702840 -0.300281077 -0.000820172 0.002011494 -0.001266842 0.002903642 -0.000761076 0.000676060 -0.002982339 0.002860584 -0.003095443 0.057261409 -0.003139883 0.000787586 0.000120137 0.000822257 -0.076216066 0.002735329 0.000382133 0.000570346 -0.000317040 -0.080654337 -0.002988397 0.000186432 -0.000821705 0.000872201 0.003304247 0.000778447 0.000346582 -0.000698977 0.000285009 -0.053725834 -0.000094728 -0.000330171 0.000399907 -0.000753829 0.012945853 0.000631015 -0.000504673 -0.000220455 0.000683996 0.030251769 -0.000083265 -0.000051822 0.000023995 0.000056354 -0.000207682 0.000372600 0.000121337 -0.000035847 -0.000143772 0.000148342 -0.000097723 0.000084101 0.000053784 -0.000057587 0.000121362 0.000001933 0.000140176 -0.000022932 -0.000194435 0.000011723 0.000190609 0.000156529 -0.000155258 -0.000393632 -0.000031963 -0.000084060 0.000006403 -0.000123803 -0.000554575 -0.000005749 0.000044791 0.000013137 -0.000021893 -0.000016288 -0.000041816 0.000006182 -0.000031569 0.000016331 0.000048282 0.000059917 -0.000009687 -0.000021444 0.000021822 0.000065440 0.000015621 0.000268692 0.000038970 -0.000053284 0.000015491 -0.000299338 0.000167642 -0.000000971 -0.000018118 0.000027480 -0.000057416 -0.000125310 0.000059934 0.000034004 -0.000038378 0.000003114 0.000002695 -0.000005533 0.000001047 0.000006278 -0.000001856 0.000002181 -0.000002165 -0.000000546 0.000001557 -0.000001189 -0.000007909 0.000005982 0.000000927 -0.000008002 0.000004887 0.000001684 -0.000002241 0.000000441 0.000004102 -0.000000511 0.000005888 -0.000006504 0.000000022 0.000009734 -0.000001920 0.000007473 -0.000006048 -0.000000607 0.000009450 -0.000003854 -0.000001466 0.000006833 -0.000000787 -0.000007183 -0.000000053 0.000000219 0.000003128 0.000000036 -0.000002644 -0.000000304 0.000003812 -0.000002311 -0.000001013 0.000002117 -0.000001873 -0.000000875 0.000000960 -0.000000425 -0.000002106 0.000000728 -0.000004195 0.000003348 0.000000540 -0.000004220 0.000002479 -0.000013681 0.000009362 0.000002466 -0.000012502 0.000007406 0.000000499 0.000007348 -0.000006072 -0.000019669 -0.000000002 0.000000908 0.000004634 -0.000000755 -0.000007171 0.000001120 0.000020952 -0.000013917 -0.000004037 0.000017387 -0.000011578 -0.000008052 0.000005545 0.000001280 -0.000007023 0.000002675 0.000003876 -0.000005031 -0.000000625 0.000005474 -0.000001483 -0.000014443 0.000013071 0.000001411 -0.000017243 0.000005229 0.000007189 -0.000000938 -0.000001228 0.000002363 -0.000003418 -0.000005930 0.000003402 0.000000063 -0.000005220 0.000002339 -0.000005557 -0.000004963 0.000002323 0.000006871 0.000004251 -0.000022761 0.000001198 0.000002279 -0.000012486 0.000007661 -0.000021600 0.000000806 0.000005139 -0.000008589 0.000014497 -0.000018600 0.000026013 -0.000005389 -0.000042389 0.000006252 -0.000006940 -0.000008555 -0.000000997 0.000007856 0.000002448 0.000005237 -0.000006428 -0.000004892 0.000002247 -0.000005850 0.000011147 -0.000003672 -0.000008974 -0.000009914 -0.000014843 0.000014656 0.000013075 -0.000008549 -0.000024873 -0.000008944 0.000013884 0.000005493 -0.000003691 -0.000007043 -0.000008169 0.000001068 0.000001222 -0.000001764 -0.000008410 -0.000000214 -0.000106577 0.000053856 0.000011713 -0.000100737 0.000081251 0.000104167 -0.000106547 0.000030442 0.000273493 -0.000056511 0.000227752 -0.000220958 0.000021422 0.000417958 -0.000128701 0.000195463 -0.000091910 -0.000005885 0.000220954 -0.000127993 -0.000056923 0.000037541 -0.000003314 -0.000099497 0.000033974 -0.000161072 0.000100092 0.000005164 -0.000185600 0.000082266 -0.000003093 0.000025058 -0.000011128 -0.000057277 0.000002108 0.000049566 0.000024233 -0.000026697 -0.000070862 -0.000016620 -0.000016192 0.000024435 -0.000005702 -0.000046967 0.000014428 0.559113798 0.031737777 0.539530260 -0.000488739 0.055898641 0.322869757 -0.049538147 -0.000881675 -0.002470287 0.047575754 -0.001044432 -0.061062820 -0.058295580 -0.002085582 0.061837260 -0.081251643 0.004046557 -0.007319213 -0.029636740 -0.000357516 -0.289361770 0.008959797 0.001379892 0.002600720 -0.000174799 0.007357055 -0.048817750 0.001653973 0.007308467 -0.000926181 0.013090055 0.030964667 -0.000764854 0.013555877 0.027713281 -0.092787863 -0.098399934 -0.000257538 -0.000364714 0.001848004 -0.097048829 -0.262658085 -0.000302681 -0.001703648 -0.004313245 0.000177895 0.000247520 0.000082614 0.000011623 -0.000014578 -0.000197740 -0.000182799 -0.000056695 -0.000078205 0.000002471 -0.000100464 -0.000156927 -0.000011560 0.000023536 0.000055213 -0.000061329 0.000042219 -0.000014210 -0.000029193 0.000026082 -0.000164129 -0.000103745 0.000053683 0.000005838 0.000084994 -0.000098528 -0.000017907 0.000002162 0.000048409 0.000121063 0.000024919 0.000014498 0.000035249 0.000017545 0.000006770 0.000012566 0.000005067 -0.000043088 -0.000026658 -0.000027317 0.000021772 0.000017039 -0.000017671 -0.000011964 -0.000018038 0.000081567 0.000200735 0.000121305 -0.000053989 -0.000038103 0.000012725 0.000038570 0.000016871 -0.000043350 -0.000023179 -0.000012490 -0.000036583 0.000017667 0.000025488 0.000063343 0.000002988 0.000003316 -0.000001803 -0.000001406 -0.000001867 0.000001253 0.000001698 -0.000000313 -0.000000044 -0.000000808 -0.000003878 -0.000005618 -0.000000015 0.000001284 0.000003445 0.000002841 0.000002156 -0.000000163 -0.000000373 -0.000001596 0.000002957 0.000003647 -0.000001703 -0.000001587 -0.000003448 0.000003312 0.000005020 -0.000000327 -0.000001713 -0.000004142 -0.000003840 -0.000003018 0.000002646 0.000000709 0.000002260 -0.000000475 -0.000000629 0.000001506 -0.000000020 0.000000765 0.000000659 0.000001883 -0.000000094 -0.000000641 -0.000001323 -0.000001053 -0.000001083 -0.000000022 0.000000323 0.000000720 -0.000002587 -0.000003392 -0.000000000 0.000000774 0.000002069 -0.000005051 -0.000008977 -0.000000277 0.000002927 0.000006837 -0.000006071 -0.000003417 0.000002720 0.000002637 0.000004589 -0.000001848 -0.000002051 0.000001178 -0.000000005 0.000001231 0.000008253 0.000013039 0.000000326 -0.000003521 -0.000008703 -0.000001803 -0.000003584 0.000001093 0.000001843 0.000003246 0.000000967 0.000002250 -0.000001841 -0.000001102 -0.000001973 -0.000004779 -0.000007340 0.000003176 0.000003108 0.000006779 0.000001069 0.000002610 0.000001265 -0.000001325 -0.000001890 -0.000002425 -0.000002966 0.000000220 0.000001488 0.000002249 0.000001219 -0.000000808 -0.000003886 0.000000027 -0.000000995 -0.000006633 -0.000005459 -0.000004306 0.000001144 0.000004626 -0.000016080 -0.000020223 -0.000007181 0.000002293 0.000009601 -0.000011541 -0.000012297 0.000008303 0.000005790 0.000012705 0.000003940 0.000001312 -0.000004530 0.000001690 -0.000002171 0.000005681 0.000011400 -0.000001826 -0.000002588 -0.000004968 0.000006133 0.000020629 0.000004017 -0.000000584 -0.000002579 -0.000006498 0.000000325 0.000009151 0.000000849 0.000003878 0.000001662 0.000005474 0.000006310 -0.000001552 -0.000001070 -0.000003140 -0.000002538 0.000000943 0.000000906 0.000002225 -0.000038376 -0.000076175 -0.000026851 0.000015642 0.000048079 0.000131849 0.000118995 -0.000001109 -0.000022195 -0.000092707 0.000150343 0.000173339 -0.000009009 -0.000043117 -0.000140161 0.000092368 0.000125811 0.000036090 -0.000023915 -0.000087939 -0.000050085 -0.000049974 -0.000008002 0.000003929 0.000037755 -0.000070933 -0.000092926 -0.000001618 0.000028724 0.000074325 -0.000030226 -0.000018884 0.000003480 -0.000000310 0.000014827 -0.000031314 -0.000011058 0.000010501 -0.000001131 0.000012221 -0.000006563 -0.000012125 -0.000000741 0.000004852 0.000012109 0.076534600 0.085446908 0.311157294 -0.001049574 -0.010667833 0.049626745 0.000922666 -0.003489712 -0.010423867 0.051316451 0.005588245 -0.009463351 -0.027007429 -0.016118999 0.095266815 -0.000620460 0.001370176 0.002833490 -0.030761027 0.103807378 0.000003859 -0.000072270 0.000030765 0.000075441 -0.000067382 0.000043421 0.000184763 -0.000175796 -0.000084628 0.000135447 -0.000013711 0.000002499 0.000074098 -0.000026704 -0.000006702 0.000032749 0.000050107 -0.000042080 -0.000018357 0.000045410 0.000000957 0.000100911 -0.000024050 -0.000003907 0.000019547 0.000040536 -0.000018315 0.000170093 0.000007739 -0.000091634 -0.000021853 -0.000003196 -0.000007770 0.000020936 -0.000005348 0.000015938 -0.000000520 -0.000025827 -0.000027366 0.000022281 0.000007011 -0.000003804 -0.000005882 -0.000008408 0.000011854 0.000034344 0.000061641 -0.000166642 0.000066897 0.000054655 0.000020661 0.000057408 -0.000097339 0.000000490 0.000045633 -0.000009566 -0.000029136 0.000078316 0.000014286 -0.000045417 0.000001540 -0.000000935 -0.000002700 0.000000532 0.000001640 0.000000018 -0.000000184 -0.000001276 0.000000475 0.000000600 -0.000000721 -0.000000368 0.000005443 -0.000001087 -0.000002672 -0.000000339 -0.000001267 -0.000001683 0.000000305 0.000001012 0.000000926 0.000000439 -0.000004756 0.000000100 0.000002644 0.000000865 0.000000161 -0.000005930 0.000000445 0.000003408 -0.000000482 0.000002267 0.000002296 -0.000000459 -0.000001668 -0.000000255 0.000000597 0.000000476 -0.000000042 -0.000000475 0.000000478 0.000000510 -0.000002605 0.000000327 0.000001514 -0.000000178 0.000000295 0.000000761 -0.000000118 -0.000000388 -0.000000343 0.000000141 0.000003038 -0.000000591 -0.000001589 -0.000001541 -0.000000639 0.000010512 -0.000001029 -0.000006124 -0.000001820 0.000002561 0.000001955 0.000000888 -0.000000779 -0.000000166 -0.000001092 0.000000712 -0.000000261 0.000000258 0.000001567 0.000001242 -0.000014772 0.000002084 0.000007784 -0.000001216 -0.000001950 0.000005620 -0.000000071 -0.000003005 0.000001184 0.000001098 -0.000003092 0.000000036 0.000001652 -0.000002264 -0.000001636 0.000010181 -0.000000383 -0.000005548 0.000000622 0.000001714 -0.000004132 0.000000254 0.000002047 -0.000000825 -0.000000384 0.000003970 -0.000000323 -0.000002211 0.000000213 -0.000002097 0.000001682 -0.000000946 -0.000000538 0.000002162 -0.000003563 0.000010028 -0.000001531 -0.000004895 0.000002881 0.000001945 0.000015582 -0.000003887 -0.000007554 -0.000005674 -0.000000748 0.000014022 0.000000382 -0.000007794 -0.000001381 -0.000004332 0.000002669 -0.000000152 -0.000002282 0.000001614 -0.000001599 -0.000007328 0.000000982 0.000003326 0.000000975 0.000001721 -0.000009103 0.000005053 0.000004121 -0.000000608 0.000006131 -0.000003227 0.000001927 0.000001401 -0.000000126 0.000002887 -0.000007642 0.000001728 0.000004091 -0.000000022 0.000000437 0.000002097 0.000000270 -0.000001504 -0.000010128 -0.000005945 0.000063951 -0.000014835 -0.000030988 -0.000011956 -0.000026427 -0.000099793 0.000013531 0.000051255 0.000014988 -0.000013213 -0.000167982 0.000023510 0.000086540 0.000002853 0.000002194 -0.000122273 0.000025525 0.000058411 0.000009796 0.000011646 0.000045530 -0.000009525 -0.000023414 -0.000011461 -0.000004858 0.000110347 -0.000012759 -0.000056727 0.000005909 0.000012000 0.000006624 -0.000002525 -0.000002401 0.000005723 0.000019655 -0.000011677 0.000001119 0.000006036 -0.000004809 -0.000001153 0.000011560 -0.000003052 -0.000005905 0.283780157 0.000160407 0.327602178 -0.000088628 -0.273188259 0.453658435 -0.000174530 0.088451380 -0.160472592 0.110743696 -0.000072587 0.018301730 0.020699462 -0.011470879 0.597236134 -0.000156343 0.026886339 -0.064870875 0.037910846 -0.068189584 -0.000249752 0.000642707 0.020064706 0.010063187 -0.072682075 0.000022125 0.000591305 -0.002249962 0.001835920 -0.201825514 0.000024278 -0.003426732 -0.003295561 0.004927922 0.119845964 0.000028304 0.000620837 0.007236842 0.002627717 -0.066288822 0.000238619 -0.078957421 0.040221745 -0.002007405 -0.040771190 0.000088289 0.045579878 0.008949581 -0.003571221 -0.042289324 -0.000106977 -0.005878825 -0.000853443 0.024842686 0.030840599 0.000005468 0.000123797 0.000147680 -0.000009289 0.000182015 0.000002250 0.000154247 -0.000093215 0.000171122 0.000051980 -0.000009691 -0.000453499 -0.000018588 -0.000298910 -0.000179545 0.000004388 -0.000036899 0.000125739 -0.000034448 -0.000020881 0.000008405 -0.000277990 0.000502374 -0.000304813 0.000108424 0.000011264 -0.000101399 0.000372891 -0.000155411 0.000153348 -0.000005988 0.000070174 -0.000064522 -0.000039177 0.000002098 -0.000001443 0.000075939 0.000050157 -0.000043043 0.000012480 0.000004330 0.000041911 0.000053892 0.000007785 0.000049048 -0.000001760 -0.000001701 -0.000067986 0.000030261 -0.000048381 -0.000006157 -0.000220325 0.000016352 -0.000187059 -0.000090932 -0.000020424 -0.000139485 -0.000274878 -0.000079445 -0.000219209 -0.000007821 0.000211041 -0.000561652 0.000560550 -0.001731860 -0.000001119 -0.000704880 0.000396068 -0.000344166 0.000028727 0.000025894 0.000539575 0.000404598 0.000470810 -0.000073557 -0.000008586 0.000196291 -0.000390620 0.000243711 -0.000132642 0.000004658 0.000005993 0.000163026 0.000001125 0.000144028 -0.000016496 0.000372105 -0.000879071 0.000363439 -0.000582576 0.000006092 -0.000020991 0.000242917 -0.000207919 0.000149408 -0.000006739 0.000189849 -0.000400747 0.000309789 -0.000139865 -0.000000362 -0.000371031 0.000064446 -0.000070962 0.000016172 -0.000013929 0.001285082 0.000111490 0.000955965 -0.000615747 -0.000030418 -0.004240518 -0.002923280 -0.003949654 -0.000899175 -0.000026763 0.000271046 0.000037301 0.001173149 -0.004965397 0.000001602 -0.000427783 -0.000380609 0.002040350 -0.000701754 0.000015225 0.002440709 -0.002102076 0.001757390 -0.000511607 0.000015227 0.003430970 -0.001640000 0.001688977 -0.002822426 -0.000002272 0.000223552 -0.000300028 -0.000088606 -0.000240481 0.000009288 -0.000104142 0.000439717 -0.001057183 -0.000085821 -0.000004039 0.000166891 -0.000103403 0.000263291 -0.000064201 -0.000134706 -0.003614738 -0.004109605 -0.000716670 -0.019003464 0.000223275 -0.002880099 0.010637786 -0.003463899 0.005205906 0.000353045 -0.014585451 0.021261422 -0.016339654 0.011767152 0.000242158 -0.000893936 0.010169346 -0.004926561 0.008670915 -0.000098011 0.001250424 -0.003358676 0.001661332 0.004635716 -0.000200252 0.004636900 -0.009635906 0.006596685 0.002568317 -0.000031114 0.001818124 -0.002487997 0.001711798 -0.001937120 -0.000014863 0.001746425 -0.002377522 0.001263530 -0.004533703 -0.000030803 0.002102319 -0.002562689 0.002788759 -0.003043215 0.520889874 -0.267349331 0.301624482 0.129833319 -0.067262659 0.213147502 -0.137112010 0.073171580 -0.133425557 0.150691879 0.080177877 -0.066035958 0.071246216 -0.075929151 0.067881038 -0.030126573 0.009209487 0.000304931 0.000384615 0.002054330 -0.004453807 0.012973174 -0.001339056 0.000526418 -0.000237958 0.012153001 0.003827025 0.000260973 -0.002041655 -0.001282914 0.000273044 0.000184540 -0.000010845 -0.000012799 0.000008756 -0.000322436 -0.000057001 0.000026481 0.000038127 0.000072408 -0.000105656 -0.000198768 -0.000024012 0.000012977 -0.000044108 0.000283393 0.000178254 0.000000103 -0.000026186 -0.000024713 0.000929693 0.000459797 -0.000038315 -0.000069171 -0.000107799 0.000709371 0.000348354 -0.000017703 -0.000046096 -0.000052361 -0.000155513 -0.000202300 0.000011352 0.000016607 0.000015262 0.000066058 -0.000015687 0.000003720 -0.000003694 -0.000005767 0.000060211 0.000023015 0.000006439 -0.000003706 0.000004636 -0.000166304 -0.000111996 0.000007352 0.000013512 0.000014616 0.000063424 -0.000101469 -0.000021185 -0.000007065 -0.000047810 -0.000509969 -0.000349820 0.000001596 0.000042135 0.000010738 -0.001242541 -0.001419410 0.000033633 -0.000087599 -0.000263172 -0.000409323 -0.000138262 -0.000061066 0.000073027 -0.000026386 0.001018753 0.000459649 0.000013957 -0.000169233 -0.000128129 -0.000549197 -0.000236816 0.000018198 0.000027805 0.000048023 0.000173540 0.000148013 -0.000008782 0.000001455 0.000016249 -0.000906659 -0.000630272 0.000037014 0.000002439 -0.000012960 0.000340931 0.000140691 0.000009927 -0.000007387 -0.000002794 -0.000671057 -0.000309881 0.000016364 0.000040058 0.000063587 0.000235829 0.000260276 -0.000053052 -0.000023127 -0.000041711 -0.003810493 -0.003843470 -0.000071774 0.000233203 0.000292605 0.002590936 -0.001703961 -0.000430490 -0.000429195 -0.001073357 -0.001923495 -0.007296752 0.000044375 -0.000488748 -0.000720864 -0.001633229 -0.000622375 -0.000030482 -0.000100793 0.000176346 -0.003617428 -0.001134853 -0.000079301 0.000009982 0.000204831 -0.003800898 -0.002823606 0.000203135 -0.000012551 0.000452333 -0.001096428 -0.001337390 0.000122339 0.000126341 0.000063562 0.000519525 0.000120957 0.000104070 -0.000000252 -0.000084217 -0.001015641 -0.000547320 0.000044159 0.000103525 0.000030492 -0.010068202 -0.001911800 -0.001629639 -0.002614570 -0.006104692 0.016119890 0.023218107 0.001343626 -0.001142812 0.001793599 0.058958338 0.024210767 -0.001413835 -0.006861315 -0.006849179 0.027944778 0.011989464 0.000779791 -0.001591637 0.001037887 -0.008215075 -0.008262884 -0.000162337 0.001010619 0.000457922 -0.023614852 -0.012940738 0.001220049 0.002594307 0.002736969 -0.009985668 -0.004153039 -0.000217116 0.000088247 0.000414488 -0.014673847 -0.007100917 -0.000324435 0.000672301 0.000389596 -0.014361588 -0.004881229 -0.000022970 0.000067303 0.000796939 0.406174781 0.045101744 0.340305148 -0.096940490 -0.162063113 0.192261315 0.000279466 0.000089066 -0.000183796 0.574162830 0.000015735 0.000007688 0.000021373 -0.018889039 0.503775119 -0.000469074 -0.000098143 0.000304004 -0.002450596 -0.029706012 0.000069076 0.000016746 -0.000023557 -0.167433566 0.117919853 0.000252416 0.000155540 -0.000141316 0.115276398 -0.161528573 0.000317757 0.000144853 -0.000155749 -0.066507675 0.068945776 0.000034195 0.000002816 -0.000060201 -0.270414383 -0.068226939 0.000120660 0.000031642 -0.000103585 -0.067411844 -0.069320961 0.000084730 0.000032431 -0.000046483 0.059624878 0.019698790 -0.000102485 -0.000034872 0.000057703 -0.051269191 0.000511149 -0.000181247 -0.000034252 0.000091700 0.000208088 -0.048051661 -0.000431397 -0.000153430 0.000199365 0.020429396 -0.002585852 -0.001127086 -0.000361428 0.000785537 -0.088083387 -0.022509169 -0.000451465 0.000026729 0.000367593 -0.023240963 -0.194194504 0.000764424 0.000242138 -0.000378611 -0.009457931 -0.039254108 -0.000186508 -0.000172852 0.000109397 0.004909548 -0.006513521 0.000131914 0.000066500 -0.000073957 0.019990719 -0.021062098 -0.000493814 -0.000318480 0.000254945 0.008347770 -0.009208534 0.000259395 0.000138643 -0.000190072 -0.003535739 -0.001036701 -0.000290145 -0.000165203 0.000185324 -0.029701609 -0.009579148 -0.000282588 0.000043508 0.000245536 -0.011953399 -0.004125026 0.000073803 0.000149748 0.000769774 0.000689811 -0.000287354 -0.000496641 0.000116907 -0.000397049 0.002625945 -0.001885419 -0.001624947 -0.000280523 0.001186003 0.001007189 -0.005776321 0.000061976 0.000055084 0.000606087 0.000428389 -0.000274183 0.000725971 -0.000225799 0.000632235 -0.000112937 0.001113165 0.000840440 -0.000412692 0.000264867 0.001292481 0.001002556 -0.000071475 -0.000082715 0.000060250 0.000597945 0.000067128 0.000308958 0.000132280 -0.000151043 0.001350734 0.000595418 -0.000222270 -0.000094918 0.000257361 0.000835344 0.001274297 -0.009288534 -0.001299415 0.004404137 -0.000223132 -0.001524177 0.009800870 0.002323164 -0.005188349 -0.000917409 0.002210936 0.020549693 0.006277679 -0.010345792 -0.001571767 0.000532553 0.013579212 0.002227059 -0.007536411 -0.000063032 0.000620254 -0.000743744 0.000669268 0.001080366 0.000764380 -0.001655272 -0.007992737 -0.001977694 0.004754727 -0.000109015 -0.000926358 -0.001493664 -0.000437716 0.000756774 0.000091197 -0.000099110 -0.002203327 -0.000468448 0.000999603 -0.000174283 -0.000295965 -0.002592171 -0.000636290 0.001404361 0.000174904 0.000131423 0.570831750 -0.066164675 0.173749585 0.066831384 -0.125207672 0.176641889 -0.089176167 0.072940857 -0.070965136 0.091419187 0.059039023 -0.015831665 -0.007389857 0.006483375 0.288628629 0.018966652 0.018581630 0.007406308 -0.007572429 0.077654586 -0.065739627 -0.011522115 -0.005295069 0.003603802 -0.064868568 0.020720420 0.003448863 -0.002188380 -0.021103472 0.000040429 -0.000892822 -0.004352398 0.001023759 0.020166490 0.000520891 -0.308163880 0.002171944 -0.001099931 -0.009422897 -0.000442604 -0.008051066 0.005317280 0.020793584 0.008821646 -0.005226272 -0.039508613 -0.005024583 -0.020868511 -0.008011709 -0.000955985 -0.096546240 0.003290841 0.012555268 0.005122701 0.001550208 0.003259032 0.000860867 -0.001705805 -0.000451107 0.000815834 0.012625062 -0.001967556 -0.005602743 -0.002789996 -0.000438850 0.004789166 -0.000612478 -0.002820797 -0.000075842 -0.000117784 0.001072194 0.000640822 -0.000012743 -0.000138159 0.001361091 0.007469172 -0.000023326 0.000839345 0.000755651 -0.001505359 0.002426560 0.000526240 0.000593210 0.000188502 -0.000404413 -0.006623519 -0.000041070 -0.000017381 0.000733576 0.000502573 -0.033093628 0.000590830 0.001562872 0.000231342 0.000577801 -0.013665089 -0.000027989 0.000594545 0.000757387 0.000291768 0.000401441 -0.000030499 -0.000186139 -0.000078519 0.000293589 0.000066113 -0.000044075 0.000153005 0.000075399 0.000103956 -0.006293111 0.000146926 0.000166497 0.000076232 -0.000131587 -0.000444130 -0.000063366 -0.000054406 -0.000023041 0.000163391 -0.000192836 0.000023656 -0.000035925 0.000000484 -0.000162442 0.001746010 -0.000033118 -0.000120489 -0.000046436 -0.000847685 0.000463660 0.001138996 0.002962362 0.000636594 -0.001105987 -0.002124650 -0.000270970 -0.001765067 -0.001695940 0.000087401 0.000045041 -0.001214629 -0.003111284 -0.002472736 0.001045389 -0.000821484 -0.001562269 -0.001859231 -0.001356851 0.000632204 -0.000109544 -0.000207969 0.001524986 0.000371761 -0.000397571 0.000172067 0.000021705 0.002175974 -0.000388988 -0.001096484 0.000026360 -0.000113719 -0.000236772 0.000000992 0.000102818 -0.000166277 -0.000163126 0.000146896 0.000050730 0.000218475 0.000045159 0.000236435 -0.000049959 -0.000043645 -0.000251939 0.074667482 -0.018573344 0.064010818 0.000962448 0.029533024 0.047376117 -0.000865829 0.008860979 0.000805759 0.050047126 -0.000036430 -0.005290912 -0.022192395 0.005381754 0.330834692 -0.030653051 -0.011465460 -0.000493947 0.003458397 0.001090460 -0.008989865 -0.002952277 0.000707448 0.001805485 0.002472407 0.007968219 0.002474440 -0.006710034 -0.032562269 -0.009484140 0.000411384 0.000432008 0.000092932 0.000680374 0.000460065 0.000897314 0.000534704 0.000123847 0.001157082 -0.000397534 0.000727996 0.000092191 0.000522294 0.000360323 0.000644498 -0.000533444 -0.000707172 0.000160153 -0.000136464 -0.000472799 -0.005971365 -0.002535430 0.000359387 0.001201532 -0.000115710 -0.002650366 -0.000185307 -0.000385114 0.000549472 0.000338299 -0.000196027 -0.001520319 0.000217614 -0.001903790 -0.000933929 0.001613259 -0.000026953 -0.001025050 -0.006096044 -0.003600619 0.001704161 0.001325652 0.000167104 -0.000654510 0.000735785 0.000326172 0.000116822 0.000382668 0.000156874 0.000023106 0.000022703 0.000037747 0.000000515 0.000056546 0.000266415 0.000306015 0.000070969 -0.000290427 -0.001692265 -0.000848882 0.000718338 0.000545615 0.000295307 0.000180066 -0.000078295 0.000214589 0.000050280 -0.000026085 0.000025049 0.000196353 -0.000772189 -0.000021640 -0.000385532 0.000233555 0.000317631 0.000094045 -0.000567514 -0.000428157 0.001197290 0.000435307 -0.000084140 0.000214560 0.000211107 -0.001107959 0.000004026 -0.000137216 0.000034224 0.000705055 0.000260841 0.001408627 0.000106832 0.000281882 0.000178286 -0.000591193 -0.000226830 0.000322711 -0.000129949 -0.000387270 0.000591091 -0.000150645 0.000089248 -0.000382458 -0.000425752 0.000392070 -0.000426499 -0.000035751 0.000047061 0.000012287 -0.000026327 -0.000075930 0.000019015 0.000051361 0.000025334 0.000205743 0.000016703 -0.000044764 -0.000056771 -0.000020865 -0.000179081 -0.000075274 0.603481262 -0.013488606 0.529532667 0.003060007 -0.032729754 0.496097533 -0.150082288 0.103234277 -0.067486333 0.155602503 0.103046571 -0.157955463 0.071155854 -0.113067866 0.172837652 -0.067021305 0.071675249 -0.092870971 0.074213219 -0.074253256 -0.281273853 -0.066032110 0.062770972 -0.015333225 -0.004876826 -0.062778108 -0.067018809 0.017177533 0.019862340 0.006217892 0.060744630 0.017390714 -0.062751855 -0.013221891 -0.004595131 -0.086387197 0.003297005 0.016689703 0.002816407 -0.002000803 0.000634875 -0.078957199 -0.010012736 -0.003223477 0.001395742 0.009606923 -0.007117489 -0.199808408 0.004522185 -0.001646986 -0.000114758 0.004244860 0.001297520 0.000027453 -0.000481707 0.000254290 0.000979185 0.000772135 -0.000117460 0.000750565 -0.004811851 -0.032293949 -0.010131531 -0.000671433 -0.000101588 -0.001601813 -0.000617650 -0.000758598 0.000560405 -0.000047320 0.002568641 -0.000050936 -0.000885318 -0.000148209 -0.000170025 0.031833474 0.009392900 -0.009668690 -0.000485777 0.000279735 0.006879319 -0.002351552 -0.008662828 -0.001400743 -0.000070393 -0.003963576 -0.000852942 0.005800209 0.001129574 0.000813359 -0.022139861 0.021729285 -0.023284210 0.001748399 -0.001104195 0.000190665 -0.000940708 0.005101392 0.001184703 -0.000285822 0.000612084 -0.000430924 -0.001000303 -0.000016343 0.000375613 0.001670825 -0.000525401 -0.000725749 -0.001986970 0.000112548 -0.001485146 0.001925882 -0.000579013 -0.000018305 -0.000036116 0.002027681 -0.002606690 -0.000213970 -0.000264901 0.000199140 -0.001250868 0.001058791 0.000421132 -0.000076203 -0.000109639 0.103808775 0.004675599 0.300463281 -0.006513490 0.071602929 0.073006770 0.003372554 -0.067739565 -0.014408833 0.071120471 -0.023396315 -0.001514396 0.002416066 0.031945453 0.545340483 0.020482647 -0.001253559 0.000610125 0.008702879 0.036615052 -0.016798051 0.002592822 -0.000866748 -0.010616593 -0.041802723 -0.000344826 0.000352951 0.000516972 0.000047303 -0.052370106 0.000032937 0.000071422 0.000116214 -0.000090691 -0.029388671 0.001083404 0.000381899 0.000075665 0.001373380 -0.005825083 0.000633699 0.000864445 -0.000025972 0.000346991 -0.261839954 0.000350492 0.000707399 0.000671422 -0.000375659 -0.068553987 0.000934152 0.000249360 -0.000628343 -0.006994766 0.065037604 0.004124956 -0.001709457 -0.001699601 0.003095033 -0.114997908 -0.001403032 0.001315795 0.000493852 -0.000281380 0.037198749 -0.004421254 -0.000689695 0.001686913 -0.000318302 -0.024911242 0.000024814 0.000267046 0.000834756 -0.002197602 -0.039561813 -0.000062382 0.000298420 -0.000244743 -0.000585787 0.030369703 0.001008995 -0.001986382 -0.001378276 0.001670507 -0.008288399 -0.000891917 -0.000003525 0.000226323 -0.000279217 0.005948345 0.001068942 -0.000093038 0.000137627 -0.000109720 -0.005523763 -0.000863086 0.000221484 -0.000242359 0.000371644 0.006275132 0.554654325 0.014398103 0.477073337 -0.025382731 -0.005078842 0.056249759 -0.291151723 -0.067867915 0.029453914 0.308162386 -0.061786529 -0.060466614 0.011838520 0.069301100 0.078351673 -0.065025031 0.063395632 -0.002207396 0.000028737 0.000746576 -0.066632658 0.020957547 -0.027903799 -0.005172945 0.010060483 0.020270607 -0.069497583 -0.007971684 -0.001699994 0.002594061 0.016848422 -0.025328614 0.005355955 0.000907019 0.004539659 -0.114660477 0.043322891 0.021688762 -0.015401346 0.016526591 0.038460108 -0.110731979 0.008051142 0.002174399 0.006567274 0.026868791 0.008220896 -0.002489753 -0.000377261 0.000008892 0.006132425 -0.009139358 -0.002302195 0.001586965 -0.001377414 -0.002848667 0.016400840 -0.001952105 0.000057652 -0.001222474 0.013628765 -0.011587231 -0.001012717 0.001337963 -0.002004907 -0.002712366 0.013351960 0.000764579 -0.001154164 0.000087289 0.015461247 -0.003322326 -0.002299446 0.000642569 -0.002730547 0.282650236 0.069796573 0.068937168 -0.072290326 -0.024576684 0.076154360 -0.018409507 0.020421321 -0.015458294 0.799780777 -0.010878539 0.004155030 -0.006028949 -0.094386100 0.376427770 0.014431150 -0.007452253 0.007010472 -0.219693834 -0.172930317 -0.002529222 0.001998351 -0.000927494 -0.572380855 0.089513892 0.005264438 -0.002695746 0.002915385 0.108587549 -0.106562974 -0.004302249 0.002525409 -0.000888923 0.218276880 -0.014795776 0.001201141 -0.000290025 -0.000171493 -0.074906565 -0.037735145 0.001071859 0.000245142 -0.000021554 -0.039077778 -0.140045512 -0.000553723 -0.000485283 0.000236645 0.040529400 0.105710730 0.415693374 0.187897387 0.634636143 -0.016625008 -0.131028685 0.088699243 -0.163654768 -0.244922123 0.032713143 0.175834530 0.055022632 -0.025268695 -0.017242837 0.034354302 0.095597523 0.111110016 -0.000049409 0.019471668 -0.004852925 0.044175771 -0.144557039 0.030679707 0.003972561 -0.009056675 -0.069253394 0.136378429 -0.112329335 0.163687400</array>
               <array cmlx:templateRef="normal-mode-eigvals" dataType="xsd:double" dictRef="cc:eigenval" size="126">-0.000609343 0.000023698 0.000040286 0.000061640 0.000117753 0.000133676 0.000204033 0.000304251 0.000390172 0.000568600 0.000681471 0.000868727 0.000998075 0.001146670 0.001403854 0.001595245 0.002147081 0.002364189 0.002905891 0.003085600 0.003329283 0.003474900 0.003722661 0.005495899 0.005613963 0.006339085 0.007427586 0.008563605 0.010475115 0.011179676 0.015016006 0.017798404 0.021245554 0.021854237 0.022690176 0.023303391 0.024168768 0.024777041 0.025987933 0.028835851 0.029498170 0.029977790 0.030420337 0.032233598 0.033099634 0.034837204 0.035334224 0.037299748 0.038561776 0.040055398 0.041260223 0.043778569 0.045447240 0.046977529 0.047301481 0.048246116 0.049051499 0.049330745 0.050801570 0.052955268 0.054144292 0.055260484 0.057753570 0.060246286 0.061358932 0.064325511 0.065445467 0.065579011 0.066787941 0.066897240 0.069088451 0.071160180 0.071922876 0.072762529 0.072859675 0.072971991 0.074892974 0.076382692 0.076541232 0.077126059 0.077462325 0.078264543 0.080708784 0.081422764 0.082311101 0.082556980 0.082860369 0.083566407 0.083680782 0.083748569 0.084385299 0.084575343 0.084726530 0.085391161 0.085924430 0.086283061 0.088347247 0.110119826 0.115476268 0.316429266 0.330845207 0.336696588 0.340511917 0.342765479 0.343104195 0.343149846 0.344670034 0.345481707 0.347021126 0.347644907 0.349613846 0.350914835 0.354740140 0.356177095 0.358515913 0.359109755 0.360505638 0.360703083 0.364156995 0.364859539 0.365149070 0.365324905 0.368800312 0.369050894 0.370621186 0.381845313</array>
            </module>
         </module>
      </module>
   </module>
</module>
